Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807040615/wm2135sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807040615/wm2135Isup2.hkl |
Handling of the raw materials and the reaction products was done inside an Ar filled glove box. The reaction was carried out by loading the elements in an alumina crucible: Sr (Aldrich, pieces, distilled 99.99%), In (Alfa, shot, 99.99%), and Sb (Alfa, shot, 99.99%) in a ratio of 11:75:9. The large excess of In was intended as a metal flux. The crucible with the reaction mixture was then flame sealed under vacuum in a silica ampoule which was then placed in a furnace and heated to 1273 K at a rate of 300 K/h. The reaction proceeded at this temperature for 24 h before being cooled to 873 K at a rate of 10 K/h. At 873 K the ampoule was removed and the In flux was decanted. The main product of the reaction consisted of black crystals with irregular shapes, which were later determined to be the title compound. Also present were silver-metallic crystals with needle-like habit, which were found to be Sr5In2Sb6 (Cordier et al., 1985b). Note that Sr11InSb9 crystals decompose in air.
The full occupancies for all sites were verified by freeing the site occupation factor for an individual atom, while other remaining parameters were kept fixed. This proved that all positions are fully occupied with corresponding deviations from full occupancy within 3σ. The maximum peak and deepest hole are located 1.36 Å away from Sr6 and 0.73 Å away from Sb4, respectively.
The flux method was successfully applied for the synthesis of Yb11GaSb9 (Bobev et al., 2005), Yb11InSb9 and Eu11GaSb9 (Xia et al., 2007). The electronic structure and the properties of Yb11GaSb9 (Bobev et al., 2005) are shown to be consistent with the Zintl concept (Zintl, 1939) and confirm that this class of compounds are small band-gap semiconductors or poor metals, as Eu11InSb9 and Yb11InSb9 (Xia et al., 2007), whereas the Ca-analogs are reported to be semiconductors with larger band-gaps (Young & Kauzlarich, 1995). The close structural relationship between the Ca11InSb9 structure type (Cordier et al., 1985a) and that of the monoclinic Ca21Mn4Bi18 structure has been discussed in an earlier publication (Xia and Bobev, 2007). In connection with these studies, we undertook a similar synthetic approach in the Sr—In—Sb system.
Sr11InSb9 is a new member of the orthorhombic Ca11InSb9 structure type (Pearson's code oI84; Villars & Calvert, 1991). Its structure is very complex and has 12 crystallographically unique sites in the asymmetric unit. Thus it is difficult to explain in terms of packing of spheres; however, it can be rationalized simply using the Zintl formalism (Zintl, 1939). According to these rules and assuming a complete valence electron transfer from the less electronegative element, Sr, to the more electronegative In and Sb, one can visualize the structure as being built of eleven Sr2+ cations, an [InSb4]9- tetrahedron, an [Sb2]4- dimer, and three Sb3- anions (Fig. 1).
The In—Sb bonding in the In centered tetrahedron has a covalent character with In—Sb distances ranging between 2.9213 (7) and 2.9312 (6) Å. These values are comparable to the In—Sb distances in the isotypic and isoelectronic Eu11InSb9, 2.913 (2) and 2.932 (2) Å (Xia et al., 2007). We note that since Eu is divalent in Eu11InSb9 and since the ionic radii of Sr2+ and Eu2+ are nearly the same (Shannon, 1976), such comparison is straightforward. Not surprisingly, the Sb—Sb distance in Sr11InSb9 (2.8437 (9) Å) matches closely the Sb—Sb distance in the Eu analog (2.823 (2) Å) and also signifies strong covalent bonding. The interactions between the Sr2+ cations and the anions are more electrostatic in nature as evidenced by the larger coordination numbers and distances.
Sr11InSb9 is a Zintl (1939) compound and crystallizes in the Ca11InSb9 structure type (Cordier et al., 1985a). The latter compound is reported to be a semiconductor with a large band gap (Young & Kauzlarich, 1995). The title compound is isotypic with Yb11GaSb9 (Bobev et al., 2005), Yb11InSb9 and Eu11GaSb9 (Xia et al., 2007), all with Pearson code oI84 (Villars & Calvert, 1991). The relationship between the Ca11InSb9 structure type and that of Ca21Mn4Bi18 has been discussed by Xia & Bobev (2007). Ionic radii were taken from Shannon (1976). Crystals of Sr5In2Sb6 (Cordier et al., 1985b) were also present in the reaction mixture.
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXTL (Bruker, 2002); program(s) used to refine structure: SHELXTL (Bruker, 2002); molecular graphics: XP in SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXTL (Bruker, 2002).
Sr11InSb9 | F(000) = 3704 |
Mr = 2174.39 | Dx = 5.086 Mg m−3 |
Orthorhombic, Iba2 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: I 2 -2c | Cell parameters from 3124 reflections |
a = 12.3885 (13) Å | θ = 2.3–27.1° |
b = 13.1003 (14) Å | µ = 29.64 mm−1 |
c = 17.4966 (18) Å | T = 120 K |
V = 2839.6 (5) Å3 | Irregular, black |
Z = 4 | 0.08 × 0.05 × 0.04 mm |
Bruker SMART APEX diffractometer | 3124 independent reflections |
Radiation source: fine-focus sealed tube | 2972 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.046 |
ω scans | θmax = 27.1°, θmin = 2.3° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | h = −15→15 |
Tmin = 0.172, Tmax = 0.308 | k = −16→16 |
15129 measured reflections | l = −22→22 |
Refinement on F2 | w = 1/[σ2(Fo2) + (0.001P)2] where P = (Fo2 + 2Fc2)/3 |
Least-squares matrix: full | (Δ/σ)max < 0.001 |
R[F2 > 2σ(F2)] = 0.022 | Δρmax = 0.90 e Å−3 |
wR(F2) = 0.034 | Δρmin = −1.01 e Å−3 |
S = 0.90 | Extinction correction: SHELXTL (Bruker, 2002) |
3124 reflections | Extinction coefficient: 0.000020 (3) |
99 parameters | Absolute structure: Flack (1983), 1496 Friedel pairs |
1 restraint | Absolute structure parameter: 0.017 (6) |
Sr11InSb9 | V = 2839.6 (5) Å3 |
Mr = 2174.39 | Z = 4 |
Orthorhombic, Iba2 | Mo Kα radiation |
a = 12.3885 (13) Å | µ = 29.64 mm−1 |
b = 13.1003 (14) Å | T = 120 K |
c = 17.4966 (18) Å | 0.08 × 0.05 × 0.04 mm |
Bruker SMART APEX diffractometer | 3124 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | 2972 reflections with I > 2σ(I) |
Tmin = 0.172, Tmax = 0.308 | Rint = 0.046 |
15129 measured reflections |
R[F2 > 2σ(F2)] = 0.022 | 1 restraint |
wR(F2) = 0.034 | Δρmax = 0.90 e Å−3 |
S = 0.90 | Δρmin = −1.01 e Å−3 |
3124 reflections | Absolute structure: Flack (1983), 1496 Friedel pairs |
99 parameters | Absolute structure parameter: 0.017 (6) |
Experimental. Crystals were selected in the glove box and cut in a Paratone N oil bath to the desired dimensions. A suitable crystal was then chosen mounted on the tip of a glass fiber and quickly placed under the cold nitrogen stream (ca 150 K) in a Bruker SMART CCD-based diffractometer. Data collection is performed with four batch runs at φ = 0.00 ° (450 frames), at φ = 90.00 ° (450 frames), at φ = 180.00 ° (450 frames), and at φ = 270.00 (450 frames). Frame width = 0.40 ° in ω. Data are merged, corrected for decay, and treated with multi-scan absorption corrections. |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Sr1 | 0.42681 (6) | 0.22217 (5) | 0.65758 (5) | 0.01021 (16) | |
Sr2 | 0.68413 (6) | 0.05401 (6) | 0.62855 (4) | 0.01204 (16) | |
Sr3 | 0.41024 (6) | 0.22651 (6) | 0.34159 (4) | 0.01095 (17) | |
Sr4 | 0.68627 (7) | 0.05890 (6) | 0.36909 (5) | 0.01248 (17) | |
Sr5 | 0.84036 (5) | 0.17355 (5) | 0.99994 (6) | 0.01271 (14) | |
Sr6 | 0.0000 | 0.0000 | 0.67821 (6) | 0.0126 (2) | |
Sb1 | 0.87132 (3) | 0.11611 (3) | 0.50258 (4) | 0.01040 (10) | |
Sb2 | 0.0000 | 0.5000 | 0.25098 (5) | 0.00951 (14) | |
Sb3 | 0.17692 (4) | 0.17776 (4) | 0.68278 (3) | 0.01071 (11) | |
Sb4 | 0.46656 (4) | 0.10383 (3) | 0.49699 (3) | 0.01059 (10) | |
Sb5 | 0.14600 (4) | 0.13808 (4) | 0.31116 (3) | 0.01019 (11) | |
In1 | 0.0000 | 0.0000 | 0.39295 (4) | 0.01094 (17) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sr1 | 0.0093 (4) | 0.0111 (4) | 0.0103 (4) | −0.0002 (3) | 0.0005 (3) | −0.0007 (3) |
Sr2 | 0.0110 (4) | 0.0122 (4) | 0.0129 (4) | −0.0004 (3) | 0.0026 (3) | 0.0013 (3) |
Sr3 | 0.0109 (4) | 0.0118 (4) | 0.0101 (4) | 0.0007 (3) | −0.0004 (3) | 0.0005 (3) |
Sr4 | 0.0110 (4) | 0.0133 (4) | 0.0132 (4) | 0.0009 (3) | −0.0022 (3) | −0.0020 (3) |
Sr5 | 0.0142 (3) | 0.0144 (4) | 0.0095 (3) | 0.0010 (3) | 0.0000 (3) | −0.0006 (4) |
Sr6 | 0.0100 (5) | 0.0099 (5) | 0.0179 (6) | −0.0008 (4) | 0.000 | 0.000 |
Sb1 | 0.0097 (2) | 0.0122 (2) | 0.0092 (2) | −0.00036 (18) | −0.0001 (3) | −0.0003 (2) |
Sb2 | 0.0094 (3) | 0.0108 (3) | 0.0084 (3) | 0.0000 (4) | 0.000 | 0.000 |
Sb3 | 0.0096 (2) | 0.0123 (2) | 0.0102 (3) | −0.0004 (2) | 0.0004 (2) | −0.0011 (2) |
Sb4 | 0.0119 (2) | 0.0109 (2) | 0.0089 (2) | 0.00097 (18) | −0.0004 (3) | 0.0003 (2) |
Sb5 | 0.0093 (2) | 0.0121 (2) | 0.0091 (3) | 0.0006 (2) | −0.0005 (2) | 0.0004 (2) |
In1 | 0.0103 (4) | 0.0116 (4) | 0.0109 (4) | −0.0009 (3) | 0.000 | 0.000 |
Sr1—Sb3 | 3.1806 (9) | Sr5—Sr1xiv | 4.2183 (12) |
Sr1—Sb4 | 3.2466 (10) | Sr6—Sb3 | 3.1990 (5) |
Sr1—Sb5i | 3.3742 (10) | Sr6—Sb3xvi | 3.1990 (5) |
Sr1—Sb3ii | 3.3932 (9) | Sr6—Sb5xvii | 3.4575 (9) |
Sr1—Sb2iii | 3.4589 (9) | Sr6—Sb5xv | 3.4575 (9) |
Sr1—Sb1iv | 3.5094 (10) | Sr6—In1xv | 3.7572 (14) |
Sr1—Sr6ii | 3.7682 (8) | Sr6—Sr1xviii | 3.7682 (8) |
Sr1—Sr3v | 3.8005 (10) | Sr6—Sr1iv | 3.7682 (8) |
Sr1—Sr2vi | 3.9034 (11) | Sr6—Sb1xix | 3.7814 (11) |
Sr1—Sr2 | 3.9081 (11) | Sr6—Sb1vi | 3.7814 (11) |
Sr1—Sr5vii | 4.2183 (11) | Sr6—Sr2xix | 4.0704 (9) |
Sr1—Sr2iv | 4.2301 (11) | Sr6—Sr2vi | 4.0704 (9) |
Sr2—Sb2iii | 3.2082 (10) | Sr6—Sr5xx | 4.3371 (12) |
Sr2—Sb1 | 3.3012 (10) | Sb1—In1viii | 2.9213 (7) |
Sr2—Sb4 | 3.6040 (10) | Sb1—Sr1ii | 3.5094 (10) |
Sr2—Sb4vi | 3.6137 (10) | Sb1—Sr3ii | 3.5238 (10) |
Sr2—Sb3vi | 3.6170 (9) | Sb1—Sr5xxi | 3.6506 (9) |
Sr2—Sb3ii | 3.6409 (10) | Sb1—Sr6viii | 3.7813 (11) |
Sr2—Sr1vi | 3.9034 (11) | Sb1—Sr5vii | 3.8041 (9) |
Sr2—Sb5v | 3.9812 (10) | Sb1—Sr5ix | 3.8143 (9) |
Sr2—Sr6viii | 4.0704 (9) | Sb2—Sr4iv | 3.1924 (10) |
Sr2—Sr5ix | 4.2067 (12) | Sb2—Sr4xxii | 3.1924 (10) |
Sr2—Sr1ii | 4.2301 (11) | Sb2—Sr2x | 3.2081 (10) |
Sr3—Sb3x | 3.2340 (10) | Sb2—Sr2xxiii | 3.2081 (10) |
Sr3—Sb4 | 3.2347 (10) | Sb2—Sr1x | 3.4588 (9) |
Sr3—Sb5ii | 3.4584 (9) | Sb2—Sr1xxiii | 3.4588 (9) |
Sr3—Sb5 | 3.5131 (9) | Sb2—Sr3xxii | 3.5434 (9) |
Sr3—Sb1iv | 3.5237 (10) | Sb2—Sr3iv | 3.5434 (9) |
Sr3—Sb2ii | 3.5434 (9) | Sb3—Sr5xi | 3.2068 (11) |
Sr3—Sr1xi | 3.8006 (10) | Sb3—Sr3i | 3.2340 (10) |
Sr3—In1ii | 3.8575 (8) | Sb3—Sr1iv | 3.3932 (9) |
Sr3—Sr4vi | 3.9550 (11) | Sb3—Sr2vi | 3.6170 (9) |
Sr3—Sr4iv | 3.9790 (11) | Sb3—Sr2iv | 3.6408 (10) |
Sr3—Sr4 | 4.0923 (11) | Sb3—Sr4v | 3.9903 (10) |
Sr3—Sr5xi | 4.2184 (12) | Sb4—Sb4vi | 2.8437 (9) |
Sr4—Sb2ii | 3.1924 (10) | Sb4—Sr2vi | 3.6137 (10) |
Sr4—Sb1 | 3.3574 (10) | Sb4—Sr4vi | 3.6246 (10) |
Sr4—Sb5vi | 3.4647 (10) | Sb4—Sr5vii | 3.7722 (9) |
Sr4—Sb4 | 3.5726 (10) | Sb4—Sr5xi | 3.9107 (9) |
Sr4—Sb4vi | 3.6246 (10) | Sb5—In1 | 2.9311 (6) |
Sr4—Sr3vi | 3.9550 (11) | Sb5—Sr5xi | 3.3398 (11) |
Sr4—Sr3ii | 3.9789 (11) | Sb5—Sr1x | 3.3743 (10) |
Sr4—In1viii | 3.9844 (9) | Sb5—Sr6ix | 3.4575 (9) |
Sr4—Sb3xi | 3.9903 (10) | Sb5—Sr3iv | 3.4584 (9) |
Sr4—Sr5vii | 4.1993 (12) | Sb5—Sr4vi | 3.4647 (10) |
Sr4—Sr5ix | 4.2613 (11) | Sb5—Sr2xi | 3.9812 (10) |
Sr5—Sb3v | 3.2068 (11) | In1—Sb1vi | 2.9213 (7) |
Sr5—Sb5v | 3.3398 (11) | In1—Sb1xix | 2.9213 (7) |
Sr5—In1xii | 3.5475 (9) | In1—Sb5xvi | 2.9312 (6) |
Sr5—Sb1xiii | 3.6506 (9) | In1—Sr5xi | 3.5475 (9) |
Sr5—Sb4xiv | 3.7722 (9) | In1—Sr5xx | 3.5475 (9) |
Sr5—Sb1xiv | 3.8041 (9) | In1—Sr6ix | 3.7572 (14) |
Sr5—Sb1xv | 3.8143 (9) | In1—Sr3xviii | 3.8575 (8) |
Sr5—Sb4v | 3.9108 (9) | In1—Sr3iv | 3.8575 (8) |
Sr5—Sr4xiv | 4.1993 (12) | In1—Sr4xix | 3.9844 (9) |
Sr5—Sr2xv | 4.2067 (12) | In1—Sr4vi | 3.9844 (9) |
Sr5—Sr3v | 4.2185 (12) | ||
Sb3—Sr1—Sb4 | 100.39 (2) | Sb4xiv—Sr5—Sr2xv | 147.88 (3) |
Sb3—Sr1—Sb5i | 74.26 (2) | Sb1xiv—Sr5—Sr2xv | 100.93 (2) |
Sb4—Sr1—Sb5i | 171.42 (3) | Sb1xv—Sr5—Sr2xv | 48.302 (17) |
Sb3—Sr1—Sb3ii | 160.29 (3) | Sb4v—Sr5—Sr2xv | 52.715 (16) |
Sb4—Sr1—Sb3ii | 99.12 (2) | Sr4xiv—Sr5—Sr2xv | 147.88 (3) |
Sb5i—Sr1—Sb3ii | 86.04 (2) | Sb3v—Sr5—Sr3v | 127.10 (2) |
Sb3—Sr1—Sb2iii | 92.05 (2) | Sb5v—Sr5—Sr3v | 53.885 (19) |
Sb4—Sr1—Sb2iii | 88.12 (2) | In1xii—Sr5—Sr3v | 99.74 (3) |
Sb5i—Sr1—Sb2iii | 98.65 (3) | Sb1xiii—Sr5—Sr3v | 139.66 (3) |
Sb3ii—Sr1—Sb2iii | 91.39 (2) | Sb4xiv—Sr5—Sr3v | 109.30 (2) |
Sb3—Sr1—Sb1iv | 91.54 (2) | Sb1xiv—Sr5—Sr3v | 51.795 (17) |
Sb4—Sr1—Sb1iv | 69.46 (2) | Sb1xv—Sr5—Sr3v | 104.22 (2) |
Sb5i—Sr1—Sb1iv | 103.62 (2) | Sb4v—Sr5—Sr3v | 46.706 (17) |
Sb3ii—Sr1—Sb1iv | 92.64 (2) | Sr4xiv—Sr5—Sr3v | 56.416 (19) |
Sb2iii—Sr1—Sb1iv | 157.58 (3) | Sr2xv—Sr5—Sr3v | 97.43 (2) |
Sb3—Sr1—Sr6ii | 113.43 (2) | Sb3v—Sr5—Sr1xiv | 52.249 (19) |
Sb4—Sr1—Sr6ii | 120.51 (3) | Sb5v—Sr5—Sr1xiv | 131.08 (2) |
Sb5i—Sr1—Sr6ii | 57.59 (2) | In1xii—Sr5—Sr1xiv | 99.87 (2) |
Sb3ii—Sr1—Sr6ii | 52.747 (13) | Sb1xiii—Sr5—Sr1xiv | 52.369 (18) |
Sb2iii—Sr1—Sr6ii | 134.78 (3) | Sb4xiv—Sr5—Sr1xiv | 47.542 (16) |
Sb1iv—Sr1—Sr6ii | 62.49 (2) | Sb1xiv—Sr5—Sr1xiv | 103.23 (2) |
Sb3—Sr1—Sr3v | 113.72 (2) | Sb1xv—Sr5—Sr1xiv | 104.21 (2) |
Sb4—Sr1—Sr3v | 131.28 (3) | Sb4v—Sr5—Sr1xiv | 138.51 (3) |
Sb5i—Sr1—Sr3v | 57.265 (19) | Sr4xiv—Sr5—Sr1xiv | 98.04 (2) |
Sb3ii—Sr1—Sr3v | 53.062 (19) | Sr2xv—Sr5—Sr1xiv | 101.21 (3) |
Sb2iii—Sr1—Sr3v | 58.21 (2) | Sr3v—Sr5—Sr1xiv | 151.57 (2) |
Sb1iv—Sr1—Sr3v | 138.56 (3) | Sb3—Sr6—Sb3xvi | 177.13 (4) |
Sr6ii—Sr1—Sr3v | 77.09 (2) | Sb3—Sr6—Sb5xvii | 87.749 (19) |
Sb3—Sr1—Sr2vi | 60.385 (19) | Sb3xvi—Sr6—Sb5xvii | 90.321 (19) |
Sb4—Sr1—Sr2vi | 59.880 (19) | Sb3—Sr6—Sb5xv | 90.322 (19) |
Sb5i—Sr1—Sr2vi | 120.82 (3) | Sb3xvi—Sr6—Sb5xv | 87.749 (19) |
Sb3ii—Sr1—Sr2vi | 134.15 (3) | Sb5xvii—Sr6—Sb5xv | 95.44 (3) |
Sb2iii—Sr1—Sr2vi | 51.232 (18) | Sb3—Sr6—In1xv | 88.57 (2) |
Sb1iv—Sr1—Sr2vi | 112.96 (3) | Sb3xvi—Sr6—In1xv | 88.57 (2) |
Sr6ii—Sr1—Sr2vi | 172.95 (3) | Sb5xvii—Sr6—In1xv | 47.719 (16) |
Sr3v—Sr1—Sr2vi | 108.13 (3) | Sb5xv—Sr6—In1xv | 47.719 (16) |
Sb3—Sr1—Sr2 | 135.14 (3) | Sb3—Sr6—Sr1xviii | 122.728 (16) |
Sb4—Sr1—Sr2 | 59.643 (19) | Sb3xvi—Sr6—Sr1xviii | 57.598 (16) |
Sb5i—Sr1—Sr2 | 128.86 (3) | Sb5xvii—Sr6—Sr1xviii | 134.08 (3) |
Sb3ii—Sr1—Sr2 | 59.32 (2) | Sb5xv—Sr6—Sr1xviii | 55.475 (16) |
Sb2iii—Sr1—Sr2 | 51.188 (17) | In1xv—Sr6—Sr1xviii | 95.50 (2) |
Sb1iv—Sr1—Sr2 | 113.55 (3) | Sb3—Sr6—Sr1iv | 57.598 (16) |
Sr6ii—Sr1—Sr2 | 111.14 (2) | Sb3xvi—Sr6—Sr1iv | 122.728 (16) |
Sr3v—Sr1—Sr2 | 71.65 (2) | Sb5xvii—Sr6—Sr1iv | 55.475 (16) |
Sr2vi—Sr1—Sr2 | 75.39 (2) | Sb5xv—Sr6—Sr1iv | 134.08 (3) |
Sb3—Sr1—Sr5vii | 144.63 (3) | In1xv—Sr6—Sr1iv | 95.50 (2) |
Sb4—Sr1—Sr5vii | 59.01 (2) | Sr1xviii—Sr6—Sr1iv | 169.01 (4) |
Sb5i—Sr1—Sr5vii | 121.86 (2) | Sb3—Sr6—Sb1xix | 90.94 (2) |
Sb3ii—Sr1—Sr5vii | 48.352 (18) | Sb3xvi—Sr6—Sb1xix | 91.39 (2) |
Sb2iii—Sr1—Sr5vii | 113.71 (2) | Sb5xvii—Sr6—Sb1xix | 96.647 (14) |
Sb1iv—Sr1—Sr5vii | 55.470 (17) | Sb5xv—Sr6—Sb1xix | 167.89 (3) |
Sr6ii—Sr1—Sr5vii | 65.50 (2) | In1xv—Sr6—Sb1xix | 144.359 (13) |
Sr3v—Sr1—Sr5vii | 100.71 (2) | Sr1xviii—Sr6—Sb1xix | 114.34 (3) |
Sr2vi—Sr1—Sr5vii | 117.12 (2) | Sr1iv—Sr6—Sb1xix | 55.401 (16) |
Sr2—Sr1—Sr5vii | 62.599 (19) | Sb3—Sr6—Sb1vi | 91.39 (2) |
Sb3—Sr1—Sr2iv | 56.749 (18) | Sb3xvi—Sr6—Sb1vi | 90.94 (2) |
Sb4—Sr1—Sr2iv | 109.57 (2) | Sb5xvii—Sr6—Sb1vi | 167.89 (3) |
Sb5i—Sr1—Sr2iv | 61.937 (18) | Sb5xv—Sr6—Sb1vi | 96.647 (14) |
Sb3ii—Sr1—Sr2iv | 113.38 (2) | In1xv—Sr6—Sb1vi | 144.359 (13) |
Sb2iii—Sr1—Sr2iv | 145.72 (3) | Sr1xviii—Sr6—Sb1vi | 55.401 (16) |
Sb1iv—Sr1—Sr2iv | 49.425 (17) | Sr1iv—Sr6—Sb1vi | 114.34 (3) |
Sr6ii—Sr1—Sr2iv | 60.858 (17) | Sb1xix—Sr6—Sb1vi | 71.28 (3) |
Sr3v—Sr1—Sr2iv | 117.96 (2) | Sb3—Sr6—Sr2xix | 122.512 (16) |
Sr2vi—Sr1—Sr2iv | 112.12 (2) | Sb3xvi—Sr6—Sr2xix | 58.210 (15) |
Sr2—Sr1—Sr2iv | 162.72 (3) | Sb5xvii—Sr6—Sr2xix | 63.240 (15) |
Sr5vii—Sr1—Sr2iv | 100.55 (2) | Sb5xv—Sr6—Sr2xix | 137.52 (2) |
Sb2iii—Sr2—Sb1 | 178.44 (3) | In1xv—Sr6—Sr2xix | 102.325 (18) |
Sb2iii—Sr2—Sb4 | 86.25 (2) | Sr1xviii—Sr6—Sr2xix | 112.258 (18) |
Sb1—Sr2—Sb4 | 93.11 (2) | Sr1iv—Sr6—Sr2xix | 65.186 (16) |
Sb2iii—Sr2—Sb4vi | 86.09 (2) | Sb1xix—Sr6—Sr2xix | 49.557 (15) |
Sb1—Sr2—Sb4vi | 94.51 (2) | Sb1vi—Sr6—Sr2xix | 107.56 (3) |
Sb4—Sr2—Sb4vi | 46.406 (18) | Sb3—Sr6—Sr2vi | 58.210 (15) |
Sb2iii—Sr2—Sb3vi | 88.74 (2) | Sb3xvi—Sr6—Sr2vi | 122.513 (16) |
Sb1—Sr2—Sb3vi | 92.74 (2) | Sb5xvii—Sr6—Sr2vi | 137.52 (2) |
Sb4—Sr2—Sb3vi | 132.49 (3) | Sb5xv—Sr6—Sr2vi | 63.240 (15) |
Sb4vi—Sr2—Sb3vi | 86.14 (2) | In1xv—Sr6—Sr2vi | 102.325 (19) |
Sb2iii—Sr2—Sb3ii | 91.23 (2) | Sr1xviii—Sr6—Sr2vi | 65.186 (16) |
Sb1—Sr2—Sb3ii | 87.33 (2) | Sr1iv—Sr6—Sr2vi | 112.258 (18) |
Sb4—Sr2—Sb3ii | 88.47 (2) | Sb1xix—Sr6—Sr2vi | 107.56 (3) |
Sb4vi—Sr2—Sb3ii | 134.88 (3) | Sb1vi—Sr6—Sr2vi | 49.557 (15) |
Sb3vi—Sr2—Sb3ii | 138.89 (3) | Sr2xix—Sr6—Sr2vi | 155.35 (4) |
Sb2iii—Sr2—Sr1vi | 57.205 (18) | Sb3—Sr6—Sr5xx | 135.40 (3) |
Sb1—Sr2—Sr1vi | 124.24 (3) | Sb3xvi—Sr6—Sr5xx | 47.463 (18) |
Sb4—Sr2—Sr1vi | 89.29 (2) | Sb5xvii—Sr6—Sr5xx | 121.303 (14) |
Sb4vi—Sr2—Sr1vi | 50.998 (18) | Sb5xv—Sr6—Sr5xx | 116.624 (14) |
Sb3vi—Sr2—Sr1vi | 49.860 (18) | In1xv—Sr6—Sr5xx | 135.988 (15) |
Sb3ii—Sr2—Sr1vi | 148.43 (3) | Sr1xviii—Sr6—Sr5xx | 62.257 (18) |
Sb2iii—Sr2—Sr1 | 57.150 (18) | Sr1iv—Sr6—Sr5xx | 109.13 (2) |
Sb1—Sr2—Sr1 | 121.39 (3) | Sb1xix—Sr6—Sr5xx | 55.539 (18) |
Sb4—Sr2—Sr1 | 51.015 (19) | Sb1vi—Sr6—Sr5xx | 52.908 (17) |
Sb4vi—Sr2—Sr1 | 89.08 (2) | Sr2xix—Sr6—Sr5xx | 59.948 (17) |
Sb3vi—Sr2—Sr1 | 145.82 (3) | Sr2vi—Sr6—Sr5xx | 101.17 (2) |
Sb3ii—Sr2—Sr1 | 53.280 (18) | In1viii—Sb1—Sr2 | 133.90 (2) |
Sr1vi—Sr2—Sr1 | 102.61 (2) | In1viii—Sb1—Sr4 | 78.44 (2) |
Sb2iii—Sr2—Sb5v | 84.32 (2) | Sr2—Sb1—Sr4 | 85.97 (2) |
Sb1—Sr2—Sb5v | 95.53 (2) | In1viii—Sb1—Sr1ii | 135.63 (2) |
Sb4—Sr2—Sb5v | 149.07 (3) | Sr2—Sb1—Sr1ii | 76.73 (2) |
Sb4vi—Sr2—Sb5v | 160.48 (3) | Sr4—Sb1—Sr1ii | 143.72 (2) |
Sb3vi—Sr2—Sb5v | 76.71 (2) | In1viii—Sb1—Sr3ii | 72.85 (2) |
Sb3ii—Sr2—Sb5v | 62.406 (17) | Sr2—Sb1—Sr3ii | 140.72 (2) |
Sr1vi—Sr2—Sb5v | 109.76 (2) | Sr4—Sb1—Sr3ii | 70.61 (2) |
Sr1—Sr2—Sb5v | 99.84 (2) | Sr1ii—Sb1—Sr3ii | 103.75 (2) |
Sb2iii—Sr2—Sr6viii | 120.18 (3) | In1viii—Sb1—Sr5xxi | 64.221 (17) |
Sb1—Sr2—Sr6viii | 60.66 (2) | Sr2—Sb1—Sr5xxi | 138.30 (3) |
Sb4—Sr2—Sr6viii | 152.47 (3) | Sr4—Sb1—Sr5xxi | 134.85 (3) |
Sb4vi—Sr2—Sr6viii | 122.22 (2) | Sr1ii—Sb1—Sr5xxi | 72.16 (2) |
Sb3vi—Sr2—Sr6viii | 48.743 (13) | Sr3ii—Sb1—Sr5xxi | 74.66 (2) |
Sb3ii—Sr2—Sr6viii | 97.80 (2) | In1viii—Sb1—Sr6viii | 95.40 (2) |
Sr1vi—Sr2—Sr6viii | 98.60 (2) | Sr2—Sb1—Sr6viii | 69.78 (2) |
Sr1—Sr2—Sr6viii | 148.70 (3) | Sr4—Sb1—Sr6viii | 139.77 (2) |
Sb5v—Sr2—Sr6viii | 50.847 (18) | Sr1ii—Sb1—Sr6viii | 62.111 (18) |
Sb2iii—Sr2—Sr5ix | 121.87 (2) | Sr3ii—Sb1—Sr6viii | 145.822 (19) |
Sb1—Sr2—Sr5ix | 59.623 (19) | Sr5xxi—Sb1—Sr6viii | 71.380 (18) |
Sb4—Sr2—Sr5ix | 97.51 (2) | In1viii—Sb1—Sr5vii | 138.19 (3) |
Sb4vi—Sr2—Sr5ix | 59.433 (18) | Sr2—Sb1—Sr5vii | 72.68 (2) |
Sb3vi—Sr2—Sr5ix | 47.663 (18) | Sr4—Sb1—Sr5vii | 71.49 (2) |
Sb3ii—Sr2—Sr5ix | 146.58 (3) | Sr1ii—Sb1—Sr5vii | 72.97 (2) |
Sr1vi—Sr2—Sr5ix | 64.83 (2) | Sr3ii—Sb1—Sr5vii | 70.17 (2) |
Sr1—Sr2—Sr5ix | 147.59 (3) | Sr5xxi—Sb1—Sr5vii | 121.670 (15) |
Sb5v—Sr2—Sr5ix | 112.47 (2) | Sr6viii—Sb1—Sr5vii | 126.29 (3) |
Sr6viii—Sr2—Sr5ix | 63.174 (19) | In1viii—Sb1—Sr5ix | 61.896 (17) |
Sb2iii—Sr2—Sr1ii | 125.31 (3) | Sr2—Sb1—Sr5ix | 72.08 (2) |
Sb1—Sr2—Sr1ii | 53.848 (19) | Sr4—Sb1—Sr5ix | 72.59 (2) |
Sb4—Sr2—Sr1ii | 118.86 (2) | Sr1ii—Sb1—Sr5ix | 129.02 (3) |
Sb4vi—Sr2—Sr1ii | 147.17 (3) | Sr3ii—Sb1—Sr5ix | 125.88 (3) |
Sb3vi—Sr2—Sr1ii | 102.25 (2) | Sr5xxi—Sb1—Sr5ix | 107.658 (16) |
Sb3ii—Sr2—Sr1ii | 46.933 (16) | Sr6viii—Sb1—Sr5ix | 69.637 (17) |
Sr1vi—Sr2—Sr1ii | 151.29 (3) | Sr5vii—Sb1—Sr5ix | 130.627 (14) |
Sr1—Sr2—Sr1ii | 99.985 (19) | Sr4iv—Sb2—Sr4xxii | 99.32 (4) |
Sb5v—Sr2—Sr1ii | 48.409 (16) | Sr4iv—Sb2—Sr2x | 153.237 (17) |
Sr6viii—Sr2—Sr1ii | 53.956 (15) | Sr4xxii—Sb2—Sr2x | 88.370 (18) |
Sr5ix—Sr2—Sr1ii | 103.21 (2) | Sr4iv—Sb2—Sr2xxiii | 88.370 (18) |
Sb3x—Sr3—Sb4 | 170.71 (3) | Sr4xxii—Sb2—Sr2xxiii | 153.237 (17) |
Sb3x—Sr3—Sb5ii | 87.18 (2) | Sr2x—Sb2—Sr2xxiii | 96.22 (4) |
Sb4—Sr3—Sb5ii | 101.66 (2) | Sr4iv—Sb2—Sr1x | 85.00 (2) |
Sb3x—Sr3—Sb5 | 71.732 (19) | Sr4xxii—Sb2—Sr1x | 134.33 (2) |
Sb4—Sr3—Sb5 | 99.47 (2) | Sr2x—Sb2—Sr1x | 71.66 (2) |
Sb5ii—Sr3—Sb5 | 158.87 (3) | Sr2xxiii—Sb2—Sr1x | 71.56 (2) |
Sb3x—Sr3—Sb1iv | 114.47 (3) | Sr4iv—Sb2—Sr1xxiii | 134.33 (2) |
Sb4—Sr3—Sb1iv | 69.41 (2) | Sr4xxii—Sb2—Sr1xxiii | 85.00 (2) |
Sb5ii—Sr3—Sb1iv | 86.48 (2) | Sr2x—Sb2—Sr1xxiii | 71.56 (2) |
Sb5—Sr3—Sb1iv | 100.75 (2) | Sr2xxiii—Sb2—Sr1xxiii | 71.66 (2) |
Sb3x—Sr3—Sb2ii | 92.58 (2) | Sr1x—Sb2—Sr1xxiii | 123.61 (4) |
Sb4—Sr3—Sb2ii | 83.82 (2) | Sr4iv—Sb2—Sr3xxii | 71.70 (2) |
Sb5ii—Sr3—Sb2ii | 95.49 (2) | Sr4xxii—Sb2—Sr3xxii | 74.62 (2) |
Sb5—Sr3—Sb2ii | 87.044 (19) | Sr2x—Sb2—Sr3xxii | 134.96 (2) |
Sb1iv—Sr3—Sb2ii | 152.95 (3) | Sr2xxiii—Sb2—Sr3xxii | 83.74 (2) |
Sb3x—Sr3—Sr1xi | 56.998 (19) | Sr1x—Sb2—Sr3xxii | 146.491 (17) |
Sb4—Sr3—Sr1xi | 126.16 (3) | Sr1xxiii—Sb2—Sr3xxii | 65.730 (16) |
Sb5ii—Sr3—Sr1xi | 55.156 (19) | Sr4iv—Sb2—Sr3iv | 74.62 (2) |
Sb5—Sr3—Sr1xi | 111.20 (2) | Sr4xxii—Sb2—Sr3iv | 71.70 (2) |
Sb1iv—Sr3—Sr1xi | 139.34 (3) | Sr2x—Sb2—Sr3iv | 83.74 (2) |
Sb2ii—Sr3—Sr1xi | 56.064 (19) | Sr2xxiii—Sb2—Sr3iv | 134.96 (2) |
Sb3x—Sr3—In1ii | 86.35 (2) | Sr1x—Sb2—Sr3iv | 65.730 (16) |
Sb4—Sr3—In1ii | 101.74 (2) | Sr1xxiii—Sb2—Sr3iv | 146.491 (16) |
Sb5ii—Sr3—In1ii | 46.846 (13) | Sr3xxii—Sb2—Sr3iv | 126.84 (4) |
Sb5—Sr3—In1ii | 127.60 (2) | Sr1—Sb3—Sr6 | 142.80 (2) |
Sb1iv—Sr3—In1ii | 46.356 (16) | Sr1—Sb3—Sr5xi | 85.97 (2) |
Sb2ii—Sr3—In1ii | 142.33 (2) | Sr6—Sb3—Sr5xi | 85.23 (3) |
Sr1xi—Sr3—In1ii | 93.33 (2) | Sr1—Sb3—Sr3i | 111.91 (3) |
Sb3x—Sr3—Sr4vi | 111.73 (3) | Sr6—Sb3—Sr3i | 94.30 (3) |
Sb4—Sr3—Sr4vi | 59.55 (2) | Sr5xi—Sb3—Sr3i | 147.30 (2) |
Sb5ii—Sr3—Sr4vi | 139.37 (3) | Sr1—Sb3—Sr1iv | 143.14 (2) |
Sb5—Sr3—Sr4vi | 54.898 (18) | Sr6—Sb3—Sr1iv | 69.655 (18) |
Sb1iv—Sr3—Sr4vi | 114.49 (3) | Sr5xi—Sb3—Sr1iv | 79.40 (2) |
Sb2ii—Sr3—Sr4vi | 50.027 (18) | Sr3i—Sb3—Sr1iv | 69.94 (2) |
Sr1xi—Sr3—Sr4vi | 104.45 (3) | Sr1—Sb3—Sr2vi | 69.75 (2) |
In1ii—Sr3—Sr4vi | 159.54 (3) | Sr6—Sb3—Sr2vi | 73.047 (18) |
Sb3x—Sr3—Sr4iv | 66.24 (2) | Sr5xi—Sb3—Sr2vi | 75.85 (2) |
Sb4—Sr3—Sr4iv | 113.57 (3) | Sr3i—Sb3—Sr2vi | 135.22 (2) |
Sb5ii—Sr3—Sr4iv | 104.19 (2) | Sr1iv—Sb3—Sr2vi | 136.45 (2) |
Sb5—Sr3—Sr4iv | 66.52 (2) | Sr1—Sb3—Sr2iv | 76.32 (2) |
Sb1iv—Sr3—Sr4iv | 52.740 (17) | Sr6—Sb3—Sr2iv | 135.47 (2) |
Sb2ii—Sr3—Sr4iv | 149.83 (3) | Sr5xi—Sb3—Sr2iv | 76.01 (2) |
Sr1xi—Sr3—Sr4iv | 118.91 (3) | Sr3i—Sb3—Sr2iv | 81.83 (2) |
In1ii—Sr3—Sr4iv | 61.098 (17) | Sr1iv—Sb3—Sr2iv | 67.40 (2) |
Sr4vi—Sr3—Sr4iv | 116.26 (2) | Sr2vi—Sb3—Sr2iv | 136.90 (2) |
Sb3x—Sr3—Sr4 | 126.02 (3) | Sr1—Sb3—Sr4v | 76.78 (2) |
Sb4—Sr3—Sr4 | 56.930 (19) | Sr6—Sb3—Sr4v | 91.57 (2) |
Sb5ii—Sr3—Sr4 | 65.64 (2) | Sr5xi—Sb3—Sr4v | 146.78 (2) |
Sb5—Sr3—Sr4 | 128.28 (3) | Sr3i—Sb3—Sr4v | 65.87 (2) |
Sb1iv—Sr3—Sr4 | 109.53 (2) | Sr1iv—Sb3—Sr4v | 130.15 (2) |
Sb2ii—Sr3—Sr4 | 48.779 (16) | Sr2vi—Sb3—Sr4v | 71.615 (18) |
Sr1xi—Sr3—Sr4 | 69.37 (2) | Sr2iv—Sb3—Sr4v | 125.39 (2) |
In1ii—Sr3—Sr4 | 103.30 (2) | Sb4vi—Sb4—Sr3 | 122.558 (17) |
Sr4vi—Sr3—Sr4 | 74.40 (2) | Sb4vi—Sb4—Sr1 | 120.068 (16) |
Sr4iv—Sr3—Sr4 | 161.36 (3) | Sr3—Sb4—Sr1 | 117.22 (2) |
Sb3x—Sr3—Sr5xi | 112.48 (2) | Sb4vi—Sb4—Sr4 | 67.693 (18) |
Sb4—Sr3—Sr5xi | 61.64 (2) | Sr3—Sb4—Sr4 | 73.72 (2) |
Sb5ii—Sr3—Sr5xi | 143.80 (3) | Sr1—Sb4—Sr4 | 137.42 (2) |
Sb5—Sr3—Sr5xi | 50.174 (18) | Sb4vi—Sb4—Sr2 | 66.976 (18) |
Sb1iv—Sr3—Sr5xi | 58.031 (18) | Sr3—Sb4—Sr2 | 142.01 (2) |
Sb2ii—Sr3—Sr5xi | 112.77 (2) | Sr1—Sb4—Sr2 | 69.34 (2) |
Sr1xi—Sr3—Sr5xi | 160.88 (3) | Sr4—Sb4—Sr2 | 78.488 (19) |
In1ii—Sr3—Sr5xi | 102.23 (2) | Sb4vi—Sb4—Sr2vi | 66.620 (19) |
Sr4vi—Sr3—Sr5xi | 62.750 (19) | Sr3—Sb4—Sr2vi | 135.10 (2) |
Sr4iv—Sr3—Sr5xi | 61.549 (19) | Sr1—Sb4—Sr2vi | 69.12 (2) |
Sr4—Sr3—Sr5xi | 116.71 (2) | Sr4—Sb4—Sr2vi | 134.29 (2) |
Sb2ii—Sr4—Sb1 | 176.25 (3) | Sr2—Sb4—Sr2vi | 82.87 (3) |
Sb2ii—Sr4—Sb5vi | 93.68 (2) | Sb4vi—Sb4—Sr4vi | 65.767 (19) |
Sb1—Sr4—Sb5vi | 87.72 (2) | Sr3—Sb4—Sr4vi | 70.16 (2) |
Sb2ii—Sr4—Sb4 | 83.95 (2) | Sr1—Sb4—Sr4vi | 137.39 (2) |
Sb1—Sr4—Sb4 | 92.73 (2) | Sr4—Sb4—Sr4vi | 85.09 (3) |
Sb5vi—Sr4—Sb4 | 139.72 (3) | Sr2—Sb4—Sr4vi | 132.72 (2) |
Sb2ii—Sr4—Sb4vi | 83.10 (2) | Sr2vi—Sb4—Sr4vi | 77.696 (18) |
Sb1—Sr4—Sb4vi | 93.35 (2) | Sb4vi—Sb4—Sr5vii | 123.70 (3) |
Sb5vi—Sr4—Sb4vi | 93.20 (2) | Sr3—Sb4—Sr5vii | 76.36 (2) |
Sb4—Sr4—Sb4vi | 46.539 (18) | Sr1—Sb4—Sr5vii | 73.45 (2) |
Sb2ii—Sr4—Sr3vi | 58.277 (18) | Sr4—Sb4—Sr5vii | 69.68 (2) |
Sb1—Sr4—Sr3vi | 120.14 (3) | Sr2—Sb4—Sr5vii | 69.94 (2) |
Sb5vi—Sr4—Sr3vi | 56.052 (19) | Sr2vi—Sb4—Sr5vii | 139.57 (3) |
Sb4—Sr4—Sr3vi | 90.09 (2) | Sr4vi—Sb4—Sr5vii | 142.60 (3) |
Sb4vi—Sr4—Sr3vi | 50.294 (18) | Sb4vi—Sb4—Sr5xi | 120.45 (2) |
Sb2ii—Sr4—Sr3ii | 126.62 (3) | Sr3—Sb4—Sr5xi | 71.66 (2) |
Sb1—Sr4—Sr3ii | 56.65 (2) | Sr1—Sb4—Sr5xi | 74.31 (2) |
Sb5vi—Sr4—Sr3ii | 94.16 (2) | Sr4—Sb4—Sr5xi | 141.95 (3) |
Sb4—Sr4—Sr3ii | 119.38 (3) | Sr2—Sb4—Sr5xi | 139.55 (3) |
Sb4vi—Sr4—Sr3ii | 148.70 (3) | Sr2vi—Sb4—Sr5xi | 67.85 (2) |
Sr3vi—Sr4—Sr3ii | 149.77 (3) | Sr4vi—Sb4—Sr5xi | 68.76 (2) |
Sb2ii—Sr4—In1viii | 136.56 (3) | Sr5vii—Sb4—Sr5xi | 115.834 (14) |
Sb1—Sr4—In1viii | 45.916 (16) | In1—Sb5—Sr5xi | 68.55 (2) |
Sb5vi—Sr4—In1viii | 45.685 (15) | In1—Sb5—Sr1x | 123.97 (2) |
Sb4—Sr4—In1viii | 135.19 (3) | Sr5xi—Sb5—Sr1x | 136.52 (2) |
Sb4vi—Sr4—In1viii | 109.33 (2) | In1—Sb5—Sr6ix | 71.51 (2) |
Sr3vi—Sr4—In1viii | 97.15 (2) | Sr5xi—Sb5—Sr6ix | 139.88 (2) |
Sr3ii—Sr4—In1viii | 57.947 (17) | Sr1x—Sb5—Sr6ix | 66.94 (2) |
Sb2ii—Sr4—Sb3xi | 82.68 (2) | In1—Sb5—Sr3iv | 73.754 (18) |
Sb1—Sr4—Sb3xi | 101.02 (2) | Sr5xi—Sb5—Sr3iv | 79.58 (2) |
Sb5vi—Sr4—Sb3xi | 78.28 (2) | Sr1x—Sb5—Sr3iv | 67.577 (18) |
Sb4—Sr4—Sb3xi | 140.45 (3) | Sr6ix—Sb5—Sr3iv | 85.992 (18) |
Sb4vi—Sr4—Sb3xi | 162.89 (3) | In1—Sb5—Sr4vi | 76.562 (19) |
Sr3vi—Sr4—Sb3xi | 113.45 (2) | Sr5xi—Sb5—Sr4vi | 77.52 (2) |
Sr3ii—Sr4—Sb3xi | 47.883 (17) | Sr1x—Sb5—Sr4vi | 142.88 (2) |
In1viii—Sr4—Sb3xi | 75.34 (2) | Sr6ix—Sb5—Sr4vi | 96.94 (2) |
Sb2ii—Sr4—Sr3 | 56.602 (18) | Sr3iv—Sb5—Sr4vi | 147.51 (2) |
Sb1—Sr4—Sr3 | 122.18 (3) | In1—Sb5—Sr3 | 134.79 (2) |
Sb5vi—Sr4—Sr3 | 150.04 (3) | Sr5xi—Sb5—Sr3 | 75.94 (2) |
Sb4—Sr4—Sr3 | 49.353 (18) | Sr1x—Sb5—Sr3 | 101.00 (2) |
Sb4vi—Sr4—Sr3 | 87.23 (2) | Sr6ix—Sb5—Sr3 | 139.64 (2) |
Sr3vi—Sr4—Sr3 | 103.91 (2) | Sr3iv—Sb5—Sr3 | 126.475 (18) |
Sr3ii—Sr4—Sr3 | 100.919 (19) | Sr4vi—Sb5—Sr3 | 69.05 (2) |
In1viii—Sr4—Sr3 | 158.65 (2) | In1—Sb5—Sr2xi | 123.18 (2) |
Sb3xi—Sr4—Sr3 | 92.84 (2) | Sr5xi—Sb5—Sr2xi | 143.65 (2) |
Sb2ii—Sr4—Sr5vii | 119.86 (2) | Sr1x—Sb5—Sr2xi | 69.65 (2) |
Sb1—Sr4—Sr5vii | 59.208 (19) | Sr6ix—Sb5—Sr2xi | 65.912 (19) |
Sb5vi—Sr4—Sr5vii | 145.92 (3) | Sr3iv—Sb5—Sr2xi | 135.39 (2) |
Sb4—Sr4—Sr5vii | 57.395 (18) | Sr4vi—Sb5—Sr2xi | 73.244 (19) |
Sb4vi—Sr4—Sr5vii | 96.50 (2) | Sr3—Sb5—Sr2xi | 73.76 (2) |
Sr3vi—Sr4—Sr5vii | 146.27 (3) | Sb1vi—In1—Sb1xix | 97.92 (3) |
Sr3ii—Sr4—Sr5vii | 62.03 (2) | Sb1vi—In1—Sb5 | 107.767 (15) |
In1viii—Sr4—Sr5vii | 100.44 (2) | Sb1xix—In1—Sb5 | 109.632 (15) |
Sb3xi—Sr4—Sr5vii | 98.80 (2) | Sb1vi—In1—Sb5xvi | 109.632 (15) |
Sr3—Sr4—Sr5vii | 63.297 (19) | Sb1xix—In1—Sb5xvi | 107.768 (15) |
Sb2ii—Sr4—Sr5ix | 119.92 (2) | Sb5—In1—Sb5xvi | 121.55 (3) |
Sb1—Sr4—Sr5ix | 58.662 (19) | Sb1vi—In1—Sr5xi | 71.52 (2) |
Sb5vi—Sr4—Sr5ix | 49.929 (19) | Sb1xix—In1—Sr5xi | 67.92 (2) |
Sb4—Sr4—Sr5ix | 97.03 (2) | Sb5—In1—Sr5xi | 61.189 (19) |
Sb4vi—Sr4—Sr5ix | 58.800 (18) | Sb5xvi—In1—Sr5xi | 175.69 (2) |
Sr3vi—Sr4—Sr5ix | 61.65 (2) | Sb1vi—In1—Sr5xx | 67.92 (2) |
Sr3ii—Sr4—Sr5ix | 104.92 (2) | Sb1xix—In1—Sr5xx | 71.52 (2) |
In1viii—Sr4—Sr5ix | 50.828 (15) | Sb5—In1—Sr5xx | 175.69 (2) |
Sb3xi—Sr4—Sr5ix | 121.84 (2) | Sb5xvi—In1—Sr5xx | 61.190 (19) |
Sr3—Sr4—Sr5ix | 145.18 (3) | Sr5xi—In1—Sr5xx | 116.30 (4) |
Sr5vii—Sr4—Sr5ix | 109.80 (3) | Sb1vi—In1—Sr6ix | 131.039 (16) |
Sb3v—Sr5—Sb5v | 172.93 (3) | Sb1xix—In1—Sr6ix | 131.039 (16) |
Sb3v—Sr5—In1xii | 125.08 (3) | Sb5—In1—Sr6ix | 60.776 (17) |
Sb5v—Sr5—In1xii | 50.264 (19) | Sb5xvi—In1—Sr6ix | 60.775 (17) |
Sb3v—Sr5—Sb1xiii | 93.22 (2) | Sr5xi—In1—Sr6ix | 121.848 (18) |
Sb5v—Sr5—Sb1xiii | 86.23 (2) | Sr5xx—In1—Sr6ix | 121.848 (18) |
In1xii—Sr5—Sb1xiii | 47.861 (14) | Sb1vi—In1—Sr3xviii | 60.794 (16) |
Sb3v—Sr5—Sb4xiv | 92.45 (2) | Sb1xix—In1—Sr3xviii | 142.55 (2) |
Sb5v—Sr5—Sb4xiv | 93.55 (2) | Sb5—In1—Sr3xviii | 106.35 (2) |
In1xii—Sr5—Sb4xiv | 97.74 (2) | Sb5xvi—In1—Sr3xviii | 59.400 (16) |
Sb1xiii—Sr5—Sb4xiv | 62.555 (16) | Sr5xi—In1—Sr3xviii | 123.881 (18) |
Sb3v—Sr5—Sb1xiv | 85.95 (2) | Sr5xx—In1—Sr3xviii | 71.844 (18) |
Sb5v—Sr5—Sb1xiv | 98.49 (2) | Sr6ix—In1—Sr3xviii | 76.528 (16) |
In1xii—Sr5—Sb1xiv | 148.75 (3) | Sb1vi—In1—Sr3iv | 142.55 (2) |
Sb1xiii—Sr5—Sb1xiv | 145.45 (2) | Sb1xix—In1—Sr3iv | 60.794 (17) |
Sb4xiv—Sr5—Sb1xiv | 82.951 (18) | Sb5—In1—Sr3iv | 59.401 (16) |
Sb3v—Sr5—Sb1xv | 90.67 (2) | Sb5xvi—In1—Sr3iv | 106.35 (2) |
Sb5v—Sr5—Sb1xv | 82.44 (2) | Sr5xi—In1—Sr3iv | 71.844 (18) |
In1xii—Sr5—Sb1xv | 46.585 (14) | Sr5xx—In1—Sr3iv | 123.881 (18) |
Sb1xiii—Sr5—Sb1xv | 72.325 (16) | Sr6ix—In1—Sr3iv | 76.528 (16) |
Sb4xiv—Sr5—Sb1xv | 134.87 (2) | Sr3xviii—In1—Sr3iv | 153.06 (3) |
Sb1xiv—Sr5—Sb1xv | 142.17 (2) | Sb1vi—In1—Sr4xix | 134.58 (2) |
Sb3v—Sr5—Sb4v | 87.26 (2) | Sb1xix—In1—Sr4xix | 55.642 (15) |
Sb5v—Sr5—Sb4v | 90.21 (2) | Sb5—In1—Sr4xix | 115.55 (2) |
In1xii—Sr5—Sb4v | 112.67 (2) | Sb5xvi—In1—Sr4xix | 57.754 (16) |
Sb1xiii—Sr5—Sb4v | 154.60 (2) | Sr5xi—In1—Sr4xix | 118.359 (18) |
Sb4xiv—Sr5—Sb4v | 142.84 (2) | Sr5xx—In1—Sr4xix | 68.629 (18) |
Sb1xiv—Sr5—Sb4v | 59.942 (15) | Sr6ix—In1—Sr4xix | 83.985 (17) |
Sb1xv—Sr5—Sb4v | 82.274 (16) | Sr3xviii—In1—Sr4xix | 115.891 (17) |
Sb3v—Sr5—Sr4xiv | 121.62 (3) | Sr3iv—In1—Sr4xix | 60.955 (16) |
Sb5v—Sr5—Sr4xiv | 65.22 (2) | Sb1vi—In1—Sr4vi | 55.642 (15) |
In1xii—Sr5—Sr4xiv | 106.92 (3) | Sb1xix—In1—Sr4vi | 134.58 (2) |
Sb1xiii—Sr5—Sr4xiv | 104.82 (2) | Sb5—In1—Sr4vi | 57.753 (16) |
Sb4xiv—Sr5—Sr4xiv | 52.922 (17) | Sb5xvi—In1—Sr4vi | 115.55 (2) |
Sb1xiv—Sr5—Sr4xiv | 49.300 (17) | Sr5xi—In1—Sr4vi | 68.629 (18) |
Sb1xv—Sr5—Sr4xiv | 147.65 (3) | Sr5xx—In1—Sr4vi | 118.359 (18) |
Sb4v—Sr5—Sr4xiv | 96.39 (2) | Sr6ix—In1—Sr4vi | 83.985 (17) |
Sb3v—Sr5—Sr2xv | 56.484 (19) | Sr3xviii—In1—Sr4vi | 60.955 (16) |
Sb5v—Sr5—Sr2xv | 116.98 (2) | Sr3iv—In1—Sr4vi | 115.891 (17) |
In1xii—Sr5—Sr2xv | 94.85 (2) | Sr4xix—In1—Sr4vi | 167.97 (3) |
Sb1xiii—Sr5—Sr2xv | 107.30 (2) |
Symmetry codes: (i) −x+1/2, −y+1/2, z+1/2; (ii) x+1/2, −y+1/2, z; (iii) x+1/2, y−1/2, z+1/2; (iv) x−1/2, −y+1/2, z; (v) −x+1, y, z+1/2; (vi) −x+1, −y, z; (vii) −x+3/2, −y+1/2, z−1/2; (viii) x+1, y, z; (ix) x, −y, z−1/2; (x) −x+1/2, −y+1/2, z−1/2; (xi) −x+1, y, z−1/2; (xii) x+1, −y, z+1/2; (xiii) −x+2, y, z+1/2; (xiv) −x+3/2, −y+1/2, z+1/2; (xv) x, −y, z+1/2; (xvi) −x, −y, z; (xvii) −x, y, z+1/2; (xviii) −x+1/2, y−1/2, z; (xix) x−1, y, z; (xx) x−1, −y, z−1/2; (xxi) −x+2, y, z−1/2; (xxii) −x+1/2, y+1/2, z; (xxiii) x−1/2, y+1/2, z−1/2. |
Experimental details
Crystal data | |
Chemical formula | Sr11InSb9 |
Mr | 2174.39 |
Crystal system, space group | Orthorhombic, Iba2 |
Temperature (K) | 120 |
a, b, c (Å) | 12.3885 (13), 13.1003 (14), 17.4966 (18) |
V (Å3) | 2839.6 (5) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 29.64 |
Crystal size (mm) | 0.08 × 0.05 × 0.04 |
Data collection | |
Diffractometer | Bruker SMART APEX |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2003) |
Tmin, Tmax | 0.172, 0.308 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 15129, 3124, 2972 |
Rint | 0.046 |
(sin θ/λ)max (Å−1) | 0.641 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.022, 0.034, 0.90 |
No. of reflections | 3124 |
No. of parameters | 99 |
No. of restraints | 1 |
Δρmax, Δρmin (e Å−3) | 0.90, −1.01 |
Absolute structure | Flack (1983), 1496 Friedel pairs |
Absolute structure parameter | 0.017 (6) |
Computer programs: SMART (Bruker, 2002), SAINT (Bruker, 2002), XP in SHELXTL (Bruker, 2002).
Sr1—Sb3 | 3.1806 (9) | Sr3—Sb1iv | 3.5237 (10) |
Sr1—Sb4 | 3.2466 (10) | Sr3—Sb2ii | 3.5434 (9) |
Sr1—Sb5i | 3.3742 (10) | Sr4—Sb2ii | 3.1924 (10) |
Sr1—Sb3ii | 3.3932 (9) | Sr4—Sb1 | 3.3574 (10) |
Sr1—Sb2iii | 3.4589 (9) | Sr4—Sb5v | 3.4647 (10) |
Sr1—Sb1iv | 3.5094 (10) | Sr4—Sb4 | 3.5726 (10) |
Sr2—Sb2iii | 3.2082 (10) | Sr4—Sb4v | 3.6246 (10) |
Sr2—Sb1 | 3.3012 (10) | Sr5—Sb3vii | 3.2068 (11) |
Sr2—Sb4 | 3.6040 (10) | Sr5—Sb5vii | 3.3398 (11) |
Sr2—Sb4v | 3.6137 (10) | Sr5—In1viii | 3.5475 (9) |
Sr2—Sb3v | 3.6170 (9) | Sr5—Sb1ix | 3.6506 (9) |
Sr2—Sb3ii | 3.6409 (10) | Sr6—Sb3 | 3.1990 (5) |
Sr3—Sb3vi | 3.2340 (10) | Sr6—Sb3x | 3.1990 (5) |
Sr3—Sb4 | 3.2347 (10) | Sr6—Sb5xi | 3.4575 (9) |
Sr3—Sb5ii | 3.4584 (9) | Sb1—In1xii | 2.9213 (7) |
Sr3—Sb5 | 3.5131 (9) | Sb4—Sb4v | 2.8437 (9) |
Symmetry codes: (i) −x+1/2, −y+1/2, z+1/2; (ii) x+1/2, −y+1/2, z; (iii) x+1/2, y−1/2, z+1/2; (iv) x−1/2, −y+1/2, z; (v) −x+1, −y, z; (vi) −x+1/2, −y+1/2, z−1/2; (vii) −x+1, y, z+1/2; (viii) x+1, −y, z+1/2; (ix) −x+2, y, z+1/2; (x) −x, −y, z; (xi) −x, y, z+1/2; (xii) x+1, y, z. |
The flux method was successfully applied for the synthesis of Yb11GaSb9 (Bobev et al., 2005), Yb11InSb9 and Eu11GaSb9 (Xia et al., 2007). The electronic structure and the properties of Yb11GaSb9 (Bobev et al., 2005) are shown to be consistent with the Zintl concept (Zintl, 1939) and confirm that this class of compounds are small band-gap semiconductors or poor metals, as Eu11InSb9 and Yb11InSb9 (Xia et al., 2007), whereas the Ca-analogs are reported to be semiconductors with larger band-gaps (Young & Kauzlarich, 1995). The close structural relationship between the Ca11InSb9 structure type (Cordier et al., 1985a) and that of the monoclinic Ca21Mn4Bi18 structure has been discussed in an earlier publication (Xia and Bobev, 2007). In connection with these studies, we undertook a similar synthetic approach in the Sr—In—Sb system.
Sr11InSb9 is a new member of the orthorhombic Ca11InSb9 structure type (Pearson's code oI84; Villars & Calvert, 1991). Its structure is very complex and has 12 crystallographically unique sites in the asymmetric unit. Thus it is difficult to explain in terms of packing of spheres; however, it can be rationalized simply using the Zintl formalism (Zintl, 1939). According to these rules and assuming a complete valence electron transfer from the less electronegative element, Sr, to the more electronegative In and Sb, one can visualize the structure as being built of eleven Sr2+ cations, an [InSb4]9- tetrahedron, an [Sb2]4- dimer, and three Sb3- anions (Fig. 1).
The In—Sb bonding in the In centered tetrahedron has a covalent character with In—Sb distances ranging between 2.9213 (7) and 2.9312 (6) Å. These values are comparable to the In—Sb distances in the isotypic and isoelectronic Eu11InSb9, 2.913 (2) and 2.932 (2) Å (Xia et al., 2007). We note that since Eu is divalent in Eu11InSb9 and since the ionic radii of Sr2+ and Eu2+ are nearly the same (Shannon, 1976), such comparison is straightforward. Not surprisingly, the Sb—Sb distance in Sr11InSb9 (2.8437 (9) Å) matches closely the Sb—Sb distance in the Eu analog (2.823 (2) Å) and also signifies strong covalent bonding. The interactions between the Sr2+ cations and the anions are more electrostatic in nature as evidenced by the larger coordination numbers and distances.