Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S205322961901427X/wp30011sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S205322961901427X/wp30012sup3.hkl | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup4.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup5.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup6.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup7.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup8.cif | |
Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901427X/wp3001sup9.cif | |
Portable Document Format (PDF) file https://doi.org/10.1107/S205322961901427X/wp3001sup10.pdf |
CCDC references: 1960512; 1960513
For both structures, data collection: SMART (Bruker, 2014); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2014); software used to prepare material for publication: publCIF (Westrip, 2010).
K8Al6.35Sn39.65 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 5190.18 | Cell parameters from 5252 reflections |
Cubic, Pm3n | θ = 2.4–28.4° |
a = 11.9948 (5) Å | µ = 14.61 mm−1 |
V = 1725.8 (2) Å3 | T = 200 K |
Z = 1 | Irregular, silver |
F(000) = 2217 | 0.12 × 0.09 × 0.08 mm |
Dx = 4.994 Mg m−3 |
Bruker APEXII CCD diffractometer | 396 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.040 |
Absorption correction: multi-scan (SADABS; Bruker, 2014) | θmax = 28.2°, θmin = 2.4° |
Tmin = 0.170, Tmax = 0.263 | h = −15→15 |
22084 measured reflections | k = −15→15 |
411 independent reflections | l = −15→15 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.023 | w = 1/[σ2(Fo2) + (0.0227P)2 + 15.4686P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.059 | (Δ/σ)max = 0.001 |
S = 1.31 | Δρmax = 1.76 e Å−3 |
411 reflections | Δρmin = −1.10 e Å−3 |
18 parameters |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
K1 | 0.250000 | 0.500000 | 0.000000 | 0.062 (2) | |
K2 | 0.000000 | 0.000000 | 0.000000 | 0.0201 (14) | |
Sn1 | 0.000000 | 0.31471 (4) | 0.11802 (4) | 0.01328 (19) | 0.93 (2) |
Al1 | 0.000000 | 0.31471 (4) | 0.11802 (4) | 0.01328 (19) | 0.07 (2) |
Sn2 | 0.18288 (3) | 0.18288 (3) | 0.18288 (3) | 0.0116 (2) | 0.97 (2) |
Al2 | 0.18288 (3) | 0.18288 (3) | 0.18288 (3) | 0.0116 (2) | 0.03 (2) |
Sn3 | 0.250000 | 0.000000 | 0.500000 | 0.0142 (7) | 0.310 (13) |
Al3 | 0.250000 | 0.000000 | 0.500000 | 0.0142 (7) | 0.690 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
K1 | 0.028 (3) | 0.079 (3) | 0.079 (3) | 0.000 | 0.000 | 0.000 |
K2 | 0.0201 (14) | 0.0201 (14) | 0.0201 (14) | 0.000 | 0.000 | 0.000 |
Sn1 | 0.0118 (3) | 0.0159 (3) | 0.0122 (3) | 0.000 | 0.000 | 0.00138 (19) |
Al1 | 0.0118 (3) | 0.0159 (3) | 0.0122 (3) | 0.000 | 0.000 | 0.00138 (19) |
Sn2 | 0.0116 (2) | 0.0116 (2) | 0.0116 (2) | −0.00072 (11) | −0.00072 (11) | −0.00072 (11) |
Al2 | 0.0116 (2) | 0.0116 (2) | 0.0116 (2) | −0.00072 (11) | −0.00072 (11) | −0.00072 (11) |
Sn3 | 0.0130 (12) | 0.0149 (9) | 0.0149 (9) | 0.000 | 0.000 | 0.000 |
Al3 | 0.0130 (12) | 0.0149 (9) | 0.0149 (9) | 0.000 | 0.000 | 0.000 |
K1—Sn1i | 3.9920 (4) | K2—Sn2viii | 3.7993 (6) |
K1—Sn1ii | 3.9920 (4) | K2—Sn2xi | 3.7993 (6) |
K1—Sn1 | 3.9920 (4) | K2—Sn2iii | 3.7993 (6) |
K1—Sn1iii | 3.9920 (4) | K2—Sn2xii | 3.7993 (6) |
K1—Sn1iv | 3.9920 (4) | K2—Sn2xiii | 3.7993 (6) |
K1—Sn1v | 3.9920 (4) | K2—Sn2xiv | 3.7993 (6) |
K1—Sn1vi | 3.9920 (4) | K2—Sn2 | 3.7994 (6) |
K1—Sn1vii | 3.9920 (4) | Sn1—Sn1iii | 2.8312 (10) |
K2—Sn1viii | 4.0316 (5) | Sn1—Sn2xii | 2.8138 (4) |
K2—Sn1 | 4.0316 (5) | Sn1—Sn2 | 2.8138 (4) |
K2—Sn1ix | 4.0316 (5) | Sn1—Sn3xv | 2.7287 (5) |
K2—Sn2x | 3.7993 (6) | Sn2—Sn2xvi | 2.7892 (11) |
Sn1i—K1—Sn1iii | 163.565 (15) | Sn2viii—K2—Sn2xiii | 70.5 |
Sn1iii—K1—Sn1vii | 99.753 (11) | Sn2x—K2—Sn2xii | 109.5 |
Sn1ii—K1—Sn1 | 163.565 (15) | Sn2iii—K2—Sn2xiii | 180.000 (16) |
Sn1i—K1—Sn1v | 41.540 (14) | Sn2xiii—K2—Sn2xi | 109.5 |
Sn1iv—K1—Sn1vii | 163.565 (15) | Sn2viii—K2—Sn2x | 109.5 |
Sn1iii—K1—Sn1v | 124.352 (6) | Sn2viii—K2—Sn2 | 180.000 (16) |
Sn1ii—K1—Sn1iv | 124.352 (6) | Sn2iii—K2—Sn2x | 109.5 |
Sn1i—K1—Sn1vi | 124.352 (6) | Sn2xiv—K2—Sn2 | 109.5 |
Sn1vi—K1—Sn1vii | 124.352 (6) | Sn2xiii—K2—Sn2x | 70.5 |
Sn1iii—K1—Sn1vi | 67.663 (13) | Sn2xiv—K2—Sn2xii | 70.5 |
Sn1iii—K1—Sn1 | 41.540 (14) | Sn2viii—K2—Sn2xiv | 70.5 |
Sn1v—K1—Sn1vi | 163.565 (15) | Sn2iii—K2—Sn2xi | 70.5 |
Sn1vii—K1—Sn1 | 124.352 (6) | Sn2iii—K2—Sn2xiv | 70.5 |
Sn1i—K1—Sn1ii | 67.663 (13) | Sn2xii—K2—Sn2 | 70.5 |
Sn1i—K1—Sn1vii | 82.614 (11) | Sn2xiii—K2—Sn2xiv | 109.5 |
Sn1iii—K1—Sn1ii | 124.352 (6) | Sn2xii—K2—Sn2xi | 180.0 |
Sn1v—K1—Sn1vii | 67.663 (13) | Sn2x—K2—Sn2xiv | 180.0 |
Sn1v—K1—Sn1ii | 82.614 (11) | Sn2iii—K2—Sn2 | 70.5 |
Sn1ii—K1—Sn1vii | 41.540 (14) | Sn2viii—K2—Sn2xii | 109.5 |
Sn1vi—K1—Sn1ii | 99.753 (11) | Sn2x—K2—Sn2 | 70.5 |
Sn1i—K1—Sn1 | 124.352 (6) | Sn2iii—K2—Sn2xii | 109.5 |
Sn1i—K1—Sn1iv | 99.753 (11) | Sn2xiii—K2—Sn2xii | 70.5 |
Sn1v—K1—Sn1 | 99.753 (11) | Sn2x—K2—Sn2xi | 70.5 |
Sn1iii—K1—Sn1iv | 82.614 (11) | K1—Sn1—K1vi | 97.385 (11) |
Sn1iv—K1—Sn1 | 67.663 (13) | K1—Sn1—K2 | 113.377 (9) |
Sn1v—K1—Sn1iv | 124.352 (6) | K1vi—Sn1—K2 | 113.377 (9) |
Sn1vi—K1—Sn1iv | 41.540 (14) | Sn1iii—Sn1—K1 | 69.230 (7) |
Sn1vi—K1—Sn1 | 82.614 (11) | Sn1iii—Sn1—K1vi | 69.230 (7) |
Sn1viii—K2—Sn1ix | 109.194 (6) | Sn1iii—Sn1—K2 | 69.444 (7) |
Sn1—K2—Sn1ix | 70.805 (6) | Sn2—Sn1—K1vi | 175.225 (18) |
Sn1—K2—Sn1viii | 180.0 | Sn2xii—Sn1—K1vi | 79.941 (6) |
Sn2viii—K2—Sn1 | 138.015 (4) | Sn2xii—Sn1—K1 | 175.225 (18) |
Sn2xiii—K2—Sn1 | 109.746 (6) | Sn2—Sn1—K1 | 79.940 (6) |
Sn2xiii—K2—Sn1ix | 70.253 (6) | Sn2—Sn1—K2 | 64.589 (15) |
Sn2—K2—Sn1viii | 138.015 (4) | Sn2xii—Sn1—K2 | 64.587 (15) |
Sn2viii—K2—Sn1ix | 138.015 (4) | Sn2xii—Sn1—Sn1iii | 106.049 (12) |
Sn2xi—K2—Sn1 | 138.015 (4) | Sn2—Sn1—Sn1iii | 106.050 (12) |
Sn2xiv—K2—Sn1ix | 138.015 (4) | Sn2xii—Sn1—Sn2 | 102.44 (2) |
Sn2iii—K2—Sn1 | 70.254 (6) | Sn3xv—Sn1—K1 | 75.656 (9) |
Sn2xi—K2—Sn1ix | 109.747 (6) | Sn3xv—Sn1—K1vi | 75.656 (9) |
Sn2xi—K2—Sn1viii | 41.985 (4) | Sn3xv—Sn1—K2 | 165.096 (18) |
Sn2x—K2—Sn1 | 109.746 (6) | Sn3xv—Sn1—Sn1iii | 125.461 (11) |
Sn2xiv—K2—Sn1 | 70.254 (6) | Sn3xv—Sn1—Sn2 | 107.298 (17) |
Sn2viii—K2—Sn1viii | 41.985 (4) | Sn3xv—Sn1—Sn2xii | 107.299 (17) |
Sn2iii—K2—Sn1ix | 109.747 (6) | Sn1ix—Sn2—K2 | 73.426 (15) |
Sn2iii—K2—Sn1viii | 109.747 (6) | Sn1xvii—Sn2—K2 | 73.426 (15) |
Sn2x—K2—Sn1ix | 41.985 (4) | Sn1—Sn2—K2 | 73.426 (15) |
Sn2xiii—K2—Sn1viii | 70.253 (6) | Sn1xvii—Sn2—Sn1ix | 112.207 (13) |
Sn2xii—K2—Sn1ix | 70.253 (6) | Sn1—Sn2—Sn1xvii | 112.207 (13) |
Sn2x—K2—Sn1viii | 70.253 (6) | Sn1—Sn2—Sn1ix | 112.206 (13) |
Sn2—K2—Sn1ix | 41.985 (4) | Sn2xvi—Sn2—K2 | 180.00 (3) |
Sn2xiv—K2—Sn1viii | 109.747 (6) | Sn2xvi—Sn2—Sn1 | 106.574 (15) |
Sn2—K2—Sn1 | 41.985 (4) | Sn2xvi—Sn2—Sn1ix | 106.574 (15) |
Sn2xii—K2—Sn1viii | 138.015 (4) | Sn2xvi—Sn2—Sn1xvii | 106.574 (15) |
Sn2xii—K2—Sn1 | 41.985 (4) | Sn1xviii—Sn3—Sn1xix | 109.08 (2) |
Sn2xi—K2—Sn2 | 109.5 | Sn1xx—Sn3—Sn1xix | 109.669 (11) |
Sn2viii—K2—Sn2xi | 70.5 | Sn1ix—Sn3—Sn1xix | 109.669 (11) |
Sn2xiii—K2—Sn2 | 109.5 | Sn1ix—Sn3—Sn1xx | 109.08 (2) |
Sn2viii—K2—Sn2iii | 109.5 | Sn1xviii—Sn3—Sn1xx | 109.669 (11) |
Sn2xiv—K2—Sn2xi | 109.5 | Sn1ix—Sn3—Sn1xviii | 109.669 (11) |
Symmetry codes: (i) −x+1/2, z+1/2, −y+1/2; (ii) −x+1/2, z+1/2, y−1/2; (iii) x, y, −z; (iv) −x, −y+1, z; (v) x+1/2, −z+1/2, −y+1/2; (vi) −x, −y+1, −z; (vii) x+1/2, −z+1/2, y−1/2; (viii) −x, −y, −z; (ix) z, x, y; (x) x, −y, z; (xi) x, −y, −z; (xii) −x, y, z; (xiii) −x, −y, z; (xiv) −x, y, −z; (xv) z−1/2, y+1/2, −x+1/2; (xvi) −y+1/2, −x+1/2, −z+1/2; (xvii) y, z, x; (xviii) −z+1/2, −y+1/2, x+1/2; (xix) −z+1/2, y−1/2, x+1/2; (xx) z, −x, −y+1. |
Rb8Al7.51Sn38.49 | Mo Kα radiation, λ = 0.71073 Å |
Mr = 5454.76 | Cell parameters from 4577 reflections |
Cubic, Pm3n | θ = 2.4–29.6° |
a = 12.0123 (13) Å | µ = 19.25 mm−1 |
V = 1733.3 (6) Å3 | T = 200 K |
Z = 1 | Block, silver |
F(000) = 2318 | 0.16 × 0.14 × 0.1 mm |
Dx = 5.226 Mg m−3 |
Bruker APEXII CCD diffractometer | 459 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.045 |
Absorption correction: multi-scan (SADABS; Bruker, 2014) | θmax = 29.6°, θmin = 2.4° |
Tmin = 0.159, Tmax = 0.264 | h = −16→16 |
19123 measured reflections | k = −16→16 |
471 independent reflections | l = −16→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0081P)2 + 4.7593P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.015 | (Δ/σ)max = 0.001 |
wR(F2) = 0.028 | Δρmax = 0.55 e Å−3 |
S = 1.18 | Δρmin = −0.59 e Å−3 |
471 reflections | Extinction correction: SHELXL2018 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
19 parameters | Extinction coefficient: 0.00203 (5) |
0 restraints |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Rb1 | 0.250000 | 0.500000 | 0.000000 | 0.0401 (3) | |
Rb2 | 0.000000 | 0.000000 | 0.000000 | 0.0156 (3) | |
Sn1 | 0.000000 | 0.31315 (2) | 0.11813 (2) | 0.01184 (10) | 0.880 (4) |
Al1 | 0.000000 | 0.31315 (2) | 0.11813 (2) | 0.01184 (10) | 0.120 (4) |
Sn2 | 0.18325 (2) | 0.18325 (2) | 0.18325 (2) | 0.01129 (11) | 0.935 (5) |
Al2 | 0.18325 (2) | 0.18325 (2) | 0.18325 (2) | 0.01129 (11) | 0.065 (5) |
Sn3 | 0.250000 | 0.000000 | 0.500000 | 0.0138 (3) | 0.400 (4) |
Al3 | 0.250000 | 0.000000 | 0.500000 | 0.0138 (3) | 0.600 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rb1 | 0.0217 (5) | 0.0494 (5) | 0.0494 (5) | 0.000 | 0.000 | 0.000 |
Rb2 | 0.0156 (3) | 0.0156 (3) | 0.0156 (3) | 0.000 | 0.000 | 0.000 |
Sn1 | 0.01202 (15) | 0.01214 (15) | 0.01136 (15) | 0.000 | 0.000 | −0.00044 (10) |
Al1 | 0.01202 (15) | 0.01214 (15) | 0.01136 (15) | 0.000 | 0.000 | −0.00044 (10) |
Sn2 | 0.01129 (11) | 0.01129 (11) | 0.01129 (11) | −0.00044 (7) | −0.00044 (7) | −0.00044 (7) |
Al2 | 0.01129 (11) | 0.01129 (11) | 0.01129 (11) | −0.00044 (7) | −0.00044 (7) | −0.00044 (7) |
Sn3 | 0.0140 (5) | 0.0138 (4) | 0.0138 (4) | 0.000 | 0.000 | 0.000 |
Al3 | 0.0140 (5) | 0.0138 (4) | 0.0138 (4) | 0.000 | 0.000 | 0.000 |
Rb1—Sn1 | 4.0087 (5) | Rb2—Sn2xiv | 3.8128 (5) |
Rb1—Sn1i | 4.0088 (5) | Rb2—Sn2xv | 3.8128 (5) |
Rb1—Sn1ii | 4.0088 (5) | Rb2—Sn2xi | 3.8128 (5) |
Rb1—Sn1iii | 4.0088 (5) | Rb2—Sn2xvi | 3.8128 (5) |
Rb1—Sn1iv | 4.0088 (5) | Rb2—Sn2 | 3.8128 (5) |
Rb1—Sn1v | 4.0088 (5) | Rb2—Sn2xvii | 3.8128 (5) |
Rb1—Sn1vi | 4.0088 (5) | Rb2—Sn2xviii | 3.8128 (5) |
Rb1—Sn1vii | 4.0088 (5) | Rb2—Sn2v | 3.8128 (5) |
Rb1—Sn3viii | 4.2470 (5) | Sn1—Sn1v | 2.8380 (6) |
Rb1—Sn3ix | 4.2470 (5) | Sn1—Sn2 | 2.8093 (4) |
Rb1—Sn3x | 4.2470 (5) | Sn1—Sn2xvi | 2.8093 (4) |
Rb2—Sn1xi | 4.0204 (5) | Sn1—Sn3xix | 2.7472 (4) |
Rb2—Sn1xii | 4.0204 (5) | Sn2—Sn2xx | 2.7774 (7) |
Rb2—Sn1xiii | 4.0204 (5) | ||
Sn1—Rb1—Sn1iii | 124.139 (4) | Sn2—Rb2—Sn2xi | 180.0 |
Sn1iii—Rb1—Sn1ii | 99.485 (6) | Sn2xvi—Rb2—Sn2v | 109.5 |
Sn1vi—Rb1—Sn1vii | 68.099 (7) | Sn2—Rb2—Sn2xvii | 70.5 |
Sn1—Rb1—Sn1v | 41.462 (7) | Sn2xviii—Rb2—Sn2xv | 109.5 |
Sn1iv—Rb1—Sn1ii | 41.462 (7) | Sn2xi—Rb2—Sn2xvii | 109.5 |
Sn1iii—Rb1—Sn1v | 163.254 (8) | Sn2xvii—Rb2—Sn2v | 109.5 |
Sn1i—Rb1—Sn1iv | 99.485 (6) | Sn2—Rb2—Sn2xviii | 109.5 |
Sn1—Rb1—Sn1vi | 99.486 (6) | Sn2xi—Rb2—Sn2xiv | 70.5 |
Sn1vi—Rb1—Sn1ii | 124.138 (4) | Sn2xi—Rb2—Sn2xviii | 70.5 |
Sn1iii—Rb1—Sn1vi | 41.462 (7) | Sn2xv—Rb2—Sn2xiv | 109.5 |
Sn1iii—Rb1—Sn1vii | 82.970 (6) | Sn2xvii—Rb2—Sn2xviii | 180.0 |
Sn1v—Rb1—Sn1vi | 124.138 (4) | Sn2xvi—Rb2—Sn2xv | 180.0 |
Sn1ii—Rb1—Sn1vii | 163.254 (8) | Sn2—Rb2—Sn2xvi | 70.5 |
Sn1—Rb1—Sn1i | 163.254 (8) | Sn2xi—Rb2—Sn2v | 109.5 |
Sn1—Rb1—Sn1ii | 68.099 (7) | Sn2xi—Rb2—Sn2xvi | 109.5 |
Sn1iii—Rb1—Sn1i | 68.099 (7) | Sn2xviii—Rb2—Sn2v | 70.5 |
Sn1v—Rb1—Sn1ii | 82.970 (6) | Sn2xvii—Rb2—Sn2xvi | 109.5 |
Sn1v—Rb1—Sn1i | 124.138 (4) | Sn2xv—Rb2—Sn2v | 70.5 |
Sn1i—Rb1—Sn1ii | 124.138 (4) | Sn2xviii—Rb2—Sn2xvi | 70.5 |
Sn1vi—Rb1—Sn1i | 82.970 (6) | Sn2xvii—Rb2—Sn2xiv | 70.5 |
Sn1—Rb1—Sn1vii | 124.138 (4) | Sn2—Rb2—Sn2xv | 109.5 |
Sn1—Rb1—Sn1iv | 82.970 (6) | Sn2xvi—Rb2—Sn2xiv | 70.5 |
Sn1v—Rb1—Sn1vii | 99.485 (6) | Sn2xi—Rb2—Sn2xv | 70.5 |
Sn1iii—Rb1—Sn1iv | 124.138 (4) | Sn2xvii—Rb2—Sn2xv | 70.5 |
Sn1iv—Rb1—Sn1vii | 124.138 (4) | Sn2—Rb2—Sn2xiv | 109.5 |
Sn1v—Rb1—Sn1iv | 68.099 (7) | Rb1—Sn1—Rb1iv | 97.031 (6) |
Sn1vi—Rb1—Sn1iv | 163.254 (8) | Rb1iv—Sn1—Rb2 | 113.512 (5) |
Sn1i—Rb1—Sn1vii | 41.462 (7) | Rb1—Sn1—Rb2 | 113.512 (5) |
Sn1—Rb1—Sn3viii | 73.774 (3) | Sn1v—Sn1—Rb1 | 69.270 (4) |
Sn1iii—Rb1—Sn3x | 73.775 (3) | Sn1v—Sn1—Rb1iv | 69.270 (4) |
Sn1iv—Rb1—Sn3ix | 97.689 (3) | Sn1v—Sn1—Rb2 | 69.332 (4) |
Sn1iii—Rb1—Sn3viii | 157.764 (4) | Sn2—Sn1—Rb1 | 79.779 (4) |
Sn1iv—Rb1—Sn3x | 157.764 (4) | Sn2xvi—Sn1—Rb1 | 175.237 (9) |
Sn1v—Rb1—Sn3viii | 38.738 (4) | Sn2—Sn1—Rb1iv | 175.237 (9) |
Sn1vii—Rb1—Sn3ix | 73.775 (3) | Sn2xvi—Sn1—Rb1iv | 79.779 (4) |
Sn1vi—Rb1—Sn3viii | 157.764 (4) | Sn2—Sn1—Rb2 | 65.078 (8) |
Sn1vi—Rb1—Sn3x | 38.738 (4) | Sn2xvi—Sn1—Rb2 | 65.079 (8) |
Sn1i—Rb1—Sn3viii | 97.689 (3) | Sn2xvi—Sn1—Sn1v | 106.169 (6) |
Sn1vii—Rb1—Sn3x | 38.738 (4) | Sn2—Sn1—Sn1v | 106.169 (6) |
Sn1iv—Rb1—Sn3viii | 38.738 (4) | Sn2—Sn1—Sn2xvi | 103.177 (11) |
Sn1ii—Rb1—Sn3ix | 97.689 (3) | Sn3xix—Sn1—Rb1 | 75.324 (5) |
Sn1ii—Rb1—Sn3viii | 73.775 (3) | Sn3xix—Sn1—Rb1iv | 75.324 (5) |
Sn1—Rb1—Sn3x | 97.689 (3) | Sn3xix—Sn1—Rb2 | 165.455 (10) |
Sn1vii—Rb1—Sn3viii | 97.689 (3) | Sn3xix—Sn1—Sn1v | 125.213 (6) |
Sn1v—Rb1—Sn3x | 97.689 (3) | Sn3xix—Sn1—Sn2 | 107.050 (9) |
Sn1—Rb1—Sn3ix | 157.764 (4) | Sn3xix—Sn1—Sn2xvi | 107.050 (9) |
Sn1i—Rb1—Sn3x | 73.775 (3) | Sn1xii—Sn2—Rb2 | 72.992 (8) |
Sn1iii—Rb1—Sn3ix | 38.738 (4) | Sn1—Sn2—Rb2 | 72.992 (8) |
Sn1ii—Rb1—Sn3x | 157.764 (4) | Sn1xxi—Sn2—Rb2 | 72.992 (8) |
Sn1v—Rb1—Sn3ix | 157.764 (4) | Sn1xxi—Sn2—Sn1xii | 111.818 (7) |
Sn1vi—Rb1—Sn3ix | 73.775 (3) | Sn1xxi—Sn2—Sn1 | 111.819 (7) |
Sn1i—Rb1—Sn3ix | 38.738 (4) | Sn1xii—Sn2—Sn1 | 111.818 (7) |
Sn3viii—Rb1—Sn3ix | 120.0 | Sn2xx—Sn2—Rb2 | 180.000 (19) |
Sn3viii—Rb1—Sn3x | 120.0 | Sn2xx—Sn2—Sn1 | 107.008 (8) |
Sn3ix—Rb1—Sn3x | 90.0 | Sn2xx—Sn2—Sn1xii | 107.008 (8) |
Sn1xii—Rb2—Sn1xiii | 180.0 | Sn2xx—Sn2—Sn1xxi | 107.008 (8) |
Sn1xi—Rb2—Sn1xii | 109.284 (3) | Rb1xxii—Sn3—Rb1xxiii | 90.0 |
Sn1xi—Rb2—Sn1xiii | 70.716 (3) | Rb1xxiii—Sn3—Rb1xxiv | 120.0 |
Sn2xv—Rb2—Sn1xiii | 109.658 (3) | Rb1xxv—Sn3—Rb1xxiii | 120.0 |
Sn2xi—Rb2—Sn1xiii | 41.929 (2) | Rb1xxv—Sn3—Rb1xxiv | 90.0 |
Sn2xviii—Rb2—Sn1xi | 109.658 (3) | Rb1xxv—Sn3—Rb1xxii | 120.0 |
Sn2—Rb2—Sn1xi | 138.071 (2) | Rb1xxii—Sn3—Rb1xxiv | 120.0 |
Sn2xviii—Rb2—Sn1xiii | 70.342 (3) | Sn1xxvi—Sn3—Rb1xxii | 80.212 (6) |
Sn2v—Rb2—Sn1xii | 41.929 (2) | Sn1xxi—Sn3—Rb1xxii | 170.212 (6) |
Sn2xvii—Rb2—Sn1xi | 70.342 (3) | Sn1xxvii—Sn3—Rb1xxiv | 170.212 (6) |
Sn2xvi—Rb2—Sn1xi | 138.071 (2) | Sn1xxvii—Sn3—Rb1xxii | 65.938 (4) |
Sn2xv—Rb2—Sn1xii | 70.342 (3) | Sn1xxii—Sn3—Rb1xxiv | 80.212 (6) |
Sn2xiv—Rb2—Sn1xiii | 41.929 (2) | Sn1xxvi—Sn3—Rb1xxv | 65.938 (4) |
Sn2xiv—Rb2—Sn1xii | 138.071 (2) | Sn1xxi—Sn3—Rb1xxv | 65.938 (4) |
Sn2v—Rb2—Sn1xi | 109.658 (3) | Sn1xxi—Sn3—Rb1xxiii | 80.212 (6) |
Sn2—Rb2—Sn1xiii | 138.071 (2) | Sn1xxi—Sn3—Rb1xxiv | 65.938 (4) |
Sn2xiv—Rb2—Sn1xi | 70.342 (3) | Sn1xxii—Sn3—Rb1xxiii | 65.938 (4) |
Sn2xvii—Rb2—Sn1xiii | 109.658 (3) | Sn1xxvi—Sn3—Rb1xxiv | 65.938 (4) |
Sn2—Rb2—Sn1xii | 41.929 (2) | Sn1xxvi—Sn3—Rb1xxiii | 170.212 (6) |
Sn2xvi—Rb2—Sn1xiii | 70.342 (3) | Sn1xxii—Sn3—Rb1xxii | 65.938 (4) |
Sn2xi—Rb2—Sn1xii | 138.071 (2) | Sn1xxvii—Sn3—Rb1xxiii | 65.938 (4) |
Sn2v—Rb2—Sn1xiii | 138.071 (2) | Sn1xxvii—Sn3—Rb1xxv | 80.212 (6) |
Sn2xvii—Rb2—Sn1xii | 70.342 (3) | Sn1xxii—Sn3—Rb1xxv | 170.212 (6) |
Sn2xv—Rb2—Sn1xi | 41.929 (2) | Sn1xxii—Sn3—Sn1xxvii | 109.576 (11) |
Sn2xviii—Rb2—Sn1xii | 109.658 (3) | Sn1xxii—Sn3—Sn1xxvi | 109.419 (6) |
Sn2xvi—Rb2—Sn1xii | 109.658 (3) | Sn1xxi—Sn3—Sn1xxvi | 109.576 (11) |
Sn2xi—Rb2—Sn1xi | 41.929 (2) | Sn1xxvi—Sn3—Sn1xxvii | 109.419 (6) |
Sn2v—Rb2—Sn2xiv | 180.0 | Sn1xxi—Sn3—Sn1xxvii | 109.419 (6) |
Sn2—Rb2—Sn2v | 70.5 | Sn1xxi—Sn3—Sn1xxii | 109.419 (6) |
Sn2xviii—Rb2—Sn2xiv | 109.5 |
Symmetry codes: (i) −x+1/2, z+1/2, y−1/2; (ii) −x, −y+1, z; (iii) −x+1/2, z+1/2, −y+1/2; (iv) −x, −y+1, −z; (v) x, y, −z; (vi) x+1/2, −z+1/2, −y+1/2; (vii) x+1/2, −z+1/2, y−1/2; (viii) −z+1/2, −y+1/2, x−1/2; (ix) −y+1/2, x+1/2, z−1/2; (x) y+1/2, −x+1/2, −z+1/2; (xi) −x, −y, −z; (xii) y, z, x; (xiii) −y, −z, −x; (xiv) −x, −y, z; (xv) x, −y, −z; (xvi) −x, y, z; (xvii) x, −y, z; (xviii) −x, y, −z; (xix) z−1/2, y+1/2, −x+1/2; (xx) −y+1/2, −x+1/2, −z+1/2; (xxi) z, x, y; (xxii) −z+1/2, −y+1/2, x+1/2; (xxiii) z+1/2, y−1/2, −x+1/2; (xxiv) y−1/2, −x+1/2, −z+1/2; (xxv) −y+1/2, x−1/2, z+1/2; (xxvi) z, −x, −y+1; (xxvii) −z+1/2, y−1/2, x+1/2. |
Formula | a (Å) | Sn1/Al1 (24k) | Sn2/Al2 (16i) | Sn3/Al3 (6c) |
Rb8AlxSn46–x ; x ≈ 6.6 (1) | 12.0184 (7) | 0.910 (6)/0.090 | 0.957 (6)/0.042 | 0.374 (6)/0.626 |
Rb8AlxSn46–x ; x ≈ 7.5 (1) | 12.0123 (13) | 0.880 (4)/0.120 | 0.935 (5)/0.065 | 0.400 (4)/0.600 |
Rb8AlxSn46–x ; x ≈ 7.8 (1) | 12.0064 (5) | 0.869 (5)/0.131 | 0.922 (5)/0.078 | 0.439 (5)/0.561 |
Rb8AlxSn46–x ; x ≈ 8.1 (1) | 12.0130 (5) | 0.871 (5)/0.129 | 0.926 (5)/0.074 | 0.368 (4)/0.632 |
K8AlxSn46–x ; x ≈ 6.4 (1) | 11.9948 (5) | 0.93 (2)/0.07 | 0.97 (2)/0.03 | 0.310 (13)/0.690 |
K8AlxSn46–x ; x ≈ 8.2 (1) | 11.9826 (5) | 0.868 (11)/0.132 | 0.922 (12)/0.078 | 0.373 (7)/0.627 |
K8AlxSn46–x ; x ≈ 8.5 (1) | 11.9873 (5) | 0.870 (11)/0.130 | 0.920 (11)/0.080 | 0.317 (6)/0.683 |
K8AlxSn46–x ; x ≈ 9.7 (1) | 11.9860 (4) | 0.836 (11)/0.164 | 0.891 (12)/0.109 | 0.332 (7)/0.668 |