cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1195356
title: Materials Data on CsUCuTe3 by Materials Project

description: CsUCuTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are six shorter (3.91 Å) and two longer (4.13 Å) Cs–Te bond lengths. U4+ is bonded to six Te2- atoms to form UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent CuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are two shorter (2.99 Å) and four longer (3.06 Å) U–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with two equivalent CuTe4 tetrahedra and edges with four equivalent UTe6 octahedra. There are two shorter (2.60 Å) and two longer (2.68 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent U4+, and one Cu1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent U4+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1195357
title: Materials Data on CaInRh by Materials Project

description: CaRhIn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Rh and six equivalent In atoms. There are a spread of Ca–Rh bond distances ranging from 3.11–3.14 Å. There are a spread of Ca–In bond distances ranging from 3.33–3.42 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent In atoms. There are a spread of Rh–In bond distances ranging from 2.75–2.79 Å. In is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Rh atoms.
DOI: 10.17188/1195358
title: Materials Data on Sr2NbInO6 by Materials Project

description: Sr2InNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.91 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are four shorter (2.02 Å) and two longer (2.03 Å) Nb–O bond lengths. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. All In–O bond lengths are 2.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Nb5+, and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Nb5+, and one In3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Nb5+, and one In3+ atom.
DOI: 10.17188/1195359
title: Materials Data on GdInPd by Materials Project

description: GdPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.05 Å) and one longer (3.17 Å) Gd–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.40 Å) Gd–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent In atoms. All Pd–In bond lengths are 2.79 Å. In is bonded in a 10-coordinate geometry to six equivalent Gd and four Pd atoms.
DOI: 10.18434/m32243
title: Independent Calculation of Move Lists for Incumbent Protection in a Multi-SAS Shared Spectrum Environment
DOI: 10.17188/1195360
title: Materials Data on CePb3 by Materials Project

description: CePb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing CePb12 cuboctahedra. All Ce–Pb bond lengths are 3.46 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Ce atoms.
DOI: 10.17188/1195361
title: Materials Data on UGeIr by Materials Project

description: UIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Ge atoms. There are a spread of U–Ir bond distances ranging from 2.84–3.35 Å. There are a spread of U–Ge bond distances ranging from 3.01–3.16 Å. Ir is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.57–2.73 Å. Ge is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Ir atoms.
DOI: 10.17188/1195362
title: Materials Data on NaMnP by Materials Project

description: NaMnP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are four shorter (2.91 Å) and one longer (3.15 Å) Na–P bond lengths. Mn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. All Mn–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1195363
title: Materials Data on MnGaNi2 by Materials Project

description: Ni2MnGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Mn–Ni bond lengths are 2.51 Å. All Mn–Ga bond lengths are 2.89 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.51 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ni atoms.
DOI: 10.17188/1195364
title: Materials Data on Sm3InC by Materials Project

description: Sm3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Sm3In framework. In the Sm3In framework, Sm is bonded in a linear geometry to two equivalent In atoms. Both Sm–In bond lengths are 2.86 Å. In is bonded to six equivalent Sm atoms to form corner-sharing InSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1195365
title: Materials Data on PuOF by Materials Project

description: PuOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pu–O bond lengths are 2.32 Å. All Pu–F bond lengths are 2.59 Å. O2- is bonded to four equivalent Pu3+ atoms to form distorted OPu4 tetrahedra that share corners with four equivalent OPu4 tetrahedra, corners with twelve equivalent FPu4 tetrahedra, edges with two equivalent FPu4 tetrahedra, and edges with four equivalent OPu4 tetrahedra. F1- is bonded to four equivalent Pu3+ atoms to form distorted FPu4 tetrahedra that share corners with four equivalent FPu4 tetrahedra, corners with twelve equivalent OPu4 tetrahedra, edges with two equivalent OPu4 tetrahedra, and edges with four equivalent FPu4 tetrahedra.
DOI: 10.17188/1195366
title: Materials Data on CeInPd2 by Materials Project

description: CePd2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. There are two shorter (3.03 Å) and six longer (3.10 Å) Ce–Pd bond lengths. Pd is bonded in a 7-coordinate geometry to four equivalent Ce and three equivalent In atoms. All Pd–In bond lengths are 2.81 Å. In is bonded to six equivalent Pd atoms to form distorted edge-sharing InPd6 cuboctahedra.
DOI: 10.17188/1195367
title: Materials Data on CaMnSn by Materials Project

description: CaMnSn is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to four equivalent Mn and five equivalent Sn atoms. All Ca–Mn bond lengths are 3.28 Å. There are four shorter (3.29 Å) and one longer (3.37 Å) Ca–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent Sn atoms. All Mn–Sn bond lengths are 2.78 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mn atoms.
DOI: 10.17188/1195368
title: Materials Data on Li2BPt3 by Materials Project

description: Li2Pt3B crystallizes in the cubic P4_332 space group. The structure is three-dimensional and consists of eight lithium molecules and one Pt3B framework. In the Pt3B framework, Pt+0.33+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Pt–B bond lengths are 2.18 Å. B3- is bonded to six equivalent Pt+0.33+ atoms to form distorted corner-sharing BPt6 octahedra. The corner-sharing octahedral tilt angles are 31°.
DOI: 10.17188/1195369
title: Materials Data on CaMnGe by Materials Project

description: CaMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Ca–Mn bond lengths are 3.22 Å. There are four shorter (3.01 Å) and one longer (3.51 Å) Ca–Ge bond lengths. Mn is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing MnCa4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mn atoms.
DOI: 10.17188/1195370
title: Materials Data on DyIn3 by Materials Project

description: DyIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent In atoms to form DyIn12 cuboctahedra that share corners with twelve equivalent DyIn12 cuboctahedra, edges with twenty-four equivalent InDy4In8 cuboctahedra, faces with six equivalent DyIn12 cuboctahedra, and faces with twelve equivalent InDy4In8 cuboctahedra. All Dy–In bond lengths are 3.28 Å. In is bonded to four equivalent Dy and eight equivalent In atoms to form distorted InDy4In8 cuboctahedra that share corners with twelve equivalent InDy4In8 cuboctahedra, edges with eight equivalent DyIn12 cuboctahedra, edges with sixteen equivalent InDy4In8 cuboctahedra, faces with four equivalent DyIn12 cuboctahedra, and faces with fourteen equivalent InDy4In8 cuboctahedra. All In–In bond lengths are 3.28 Å.
DOI: 10.17188/1195371
title: Materials Data on CoNiSn by Materials Project

description: CoNiSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded in a 8-coordinate geometry to two equivalent Co, six equivalent Ni, and six equivalent Sn atoms. Both Co–Co bond lengths are 2.65 Å. All Co–Ni bond lengths are 2.79 Å. All Co–Sn bond lengths are 2.79 Å. Ni is bonded in a 5-coordinate geometry to six equivalent Co and five equivalent Sn atoms. There are three shorter (2.46 Å) and two longer (2.65 Å) Ni–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Ni atoms.
DOI: 10.17188/1195372
title: Materials Data on Th(FeGe)2 by Materials Project

description: Th(FeGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Th–Fe bond lengths are 3.21 Å. All Th–Ge bond lengths are 3.21 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th and four equivalent Fe atoms.
DOI: 10.17188/1195373
title: Materials Data on YbIn2Pd by Materials Project

description: YbPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (2.91 Å) and two longer (3.15 Å) Yb–Pd bond lengths. There are a spread of Yb–In bond distances ranging from 3.36–3.48 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.84 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Yb and three equivalent Pd atoms.
DOI: 10.17188/1195374
title: Materials Data on Mg4P6Rh7 by Materials Project

description: Mg4Rh7P6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent P atoms to form MgP6Rh6 cuboctahedra that share corners with twelve equivalent MgP6Rh6 cuboctahedra, faces with six equivalent MgP6Rh6 cuboctahedra, and faces with two equivalent RhP6 octahedra. All Mg–Rh bond lengths are 2.80 Å. All Mg–P bond lengths are 2.85 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent P atoms to form RhP6 octahedra that share faces with eight equivalent MgP6Rh6 cuboctahedra. All Rh–P bond lengths are 2.52 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Mg and four equivalent P atoms. All Rh–P bond lengths are 2.44 Å. P is bonded in a 9-coordinate geometry to four equivalent Mg and five Rh atoms.
DOI: 10.17188/1195375
title: Materials Data on RbMnAs by Materials Project

description: RbMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbMnAs sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Rb–As bond lengths are 3.52 Å. Mn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.61 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Mn2+ atoms.
DOI: 10.17188/1195376
title: Materials Data on ZrPbS3 by Materials Project

description: ZrPbS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded to six S2- atoms to form edge-sharing ZrS6 octahedra. There are a spread of Zr–S bond distances ranging from 2.54–2.62 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.75–3.70 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Zr4+ and one Pb2+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and three equivalent Pb2+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to one Zr4+ and four equivalent Pb2+ atoms.
DOI: 10.17188/1195377
title: Materials Data on CeFeSi by Materials Project

description: CeFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent Si atoms. All Ce–Fe bond lengths are 2.90 Å. There are four shorter (3.00 Å) and one longer (3.42 Å) Ce–Si bond lengths. Fe is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Fe–Si bond lengths are 2.35 Å. Si is bonded in a 9-coordinate geometry to five equivalent Ce and four equivalent Fe atoms.
DOI: 10.17188/1195378
title: Materials Data on Mn4Ge6Ir7 by Materials Project

description: Mn4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mn is bonded to six equivalent Ir and six equivalent Ge atoms to form MnGe6Ir6 cuboctahedra that share corners with twelve equivalent MnGe6Ir6 cuboctahedra, faces with six equivalent MnGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Mn–Ir bond lengths are 2.86 Å. All Mn–Ge bond lengths are 2.89 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Mn and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.56 Å. In the second Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent MnGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Mn and five Ir atoms.
DOI: 10.17188/1195379
title: Materials Data on Dy(Fe2Ge)2 by Materials Project

description: DyFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Ge atoms. There are four shorter (3.15 Å) and eight longer (3.30 Å) Dy–Fe bond lengths. All Dy–Ge bond lengths are 2.93 Å. Fe is bonded in a 3-coordinate geometry to three equivalent Dy and three equivalent Ge atoms. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Fe atoms.
DOI: 10.17188/1195380
title: Materials Data on SrYb2O4 by Materials Project

description: SrYb2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.76 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.26–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OSr2Yb3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Yb3+ atoms.
DOI: 10.17188/1195381
title: Materials Data on MnCoP by Materials Project

description: CoMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent P3- atoms to form distorted MnP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Mn–P bond distances ranging from 2.41–2.52 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.19–2.25 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Co1+ atoms.
DOI: 10.17188/1195382
title: Materials Data on HfBe5 by Materials Project

description: Be5Hf crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to six equivalent Be and three equivalent Hf atoms. All Be–Be bond lengths are 2.16 Å. All Be–Hf bond lengths are 2.61 Å. In the second Be site, Be is bonded to eight Be and four equivalent Hf atoms to form a mixture of corner, edge, and face-sharing BeHf4Be8 cuboctahedra. All Be–Be bond lengths are 2.26 Å. All Be–Hf bond lengths are 2.84 Å. Hf is bonded in a 6-coordinate geometry to eighteen Be atoms.
DOI: 10.17188/1195383
title: Materials Data on PdS by Materials Project

description: PdS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.34 Å. S2- is bonded to four Pd2+ atoms to form a mixture of distorted corner and edge-sharing SPd4 trigonal pyramids.
DOI: 10.17188/1195384
title: Materials Data on InSb by Materials Project

description: InSb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six Sb3- atoms to form InSb6 octahedra that share corners with two equivalent SbIn5Sb octahedra, corners with four equivalent InSb6 octahedra, edges with four equivalent InSb6 octahedra, and edges with eight equivalent InSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of In–Sb bond distances ranging from 3.04–3.30 Å. In the second In3+ site, In3+ is bonded to five Sb3- atoms to form distorted InSb5 trigonal bipyramids that share corners with four equivalent SbIn5Sb octahedra, corners with five equivalent InSb5 trigonal bipyramids, edges with four equivalent InSb6 octahedra, and edges with four equivalent InSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 65–106°. There are a spread of In–Sb bond distances ranging from 3.05–3.22 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to six In3+ atoms to form a mixture of edge and corner-sharing SbIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second Sb3- site, Sb3- is bonded to five In3+ and one Sb3- atom to form distorted SbIn5Sb octahedra that share a cornercorner with one InSb6 octahedra, corners with five equivalent SbIn5Sb octahedra, corners with four equivalent InSb5 trigonal bipyramids, and edges with eight SbIn6 octahedra. The corner-sharing octahedra tilt angles range from 9–39°. The Sb–Sb bond length is 2.93 Å.