cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1197286
title: Materials Data on Ta2CuO6 by Materials Project

description: CuTa2O6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent TaO6 octahedra, corners with four equivalent CuO6 octahedra, an edgeedge with one TaO6 octahedra, and an edgeedge with one CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Ta–O bond distances ranging from 1.99–2.01 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cu–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ta5+ and one Cu2+ atom.
DOI: 10.17188/1197287
title: Materials Data on Tb(MnGe)6 by Materials Project

description: TbMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Ge atoms to form distorted edge-sharing TbGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (3.00 Å) Tb–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.53–2.71 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1197288
title: Materials Data on LaTiO3 by Materials Project

description: LaTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.74 Å. Ti3+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 22–25°. There are a spread of Ti–O bond distances ranging from 2.02–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ti3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ti3+ atoms.
DOI: 10.17188/1197289
title: Materials Data on Sc2SiB2Ir5 by Materials Project

description: Sc2Ir5B2Si crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.78–2.95 Å. There are one shorter (2.63 Å) and two longer (2.80 Å) Sc–B bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent B, and two equivalent Si atoms. Both Ir–B bond lengths are 2.24 Å. Both Ir–Si bond lengths are 2.59 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms. Si is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1197290
title: Materials Data on FeCo2(CN)6 by Materials Project

description: Co2Fe(CN)6 is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four cobalt molecules, four iron molecules, and four Co(CN)6 clusters. In each Co(CN)6 cluster, Co2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Co–N bond lengths are 1.87 Å. C+1.83+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a linear geometry to one Co2+ and one C+1.83+ atom.
DOI: 10.17188/1197291
title: Materials Data on LaIn2Ir by Materials Project

description: LaIrIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to three equivalent Ir and ten equivalent In atoms. There are one shorter (2.92 Å) and two longer (3.18 Å) La–Ir bond lengths. There are a spread of La–In bond distances ranging from 3.38–3.55 Å. Ir is bonded in a 9-coordinate geometry to three equivalent La and six equivalent In atoms. All Ir–In bond lengths are 2.85 Å. In is bonded in a 3-coordinate geometry to five equivalent La, three equivalent Ir, and four equivalent In atoms. There are a spread of In–In bond distances ranging from 3.17–3.25 Å.
DOI: 10.17188/1197292
title: Materials Data on Hf(MnGe)6 by Materials Project

description: HfMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Ge atoms to form distorted edge-sharing HfGe8 hexagonal bipyramids. There are two shorter (2.75 Å) and six longer (2.95 Å) Hf–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.
DOI: 10.17188/1197294
title: Materials Data on Pb3SO6 by Materials Project

description: Pb3O2(SO4) crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.23–2.80 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–3.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom.
DOI: 10.17188/1197295
title: Materials Data on Ce(NiSn)2 by Materials Project

description: CeNi2Sn2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Ce–Ni bond lengths are 3.42 Å. All Ce–Sn bond lengths are 3.44 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.51 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.83 Å.
DOI: 10.17188/1197296
title: Materials Data on MnSnAu by Materials Project

description: AuMnSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Au and six equivalent Sn atoms to form distorted MnSn6Au4 tetrahedra that share corners with four equivalent SnMn6Au4 tetrahedra, corners with six equivalent MnSn6Au4 tetrahedra, edges with six equivalent SnMn6Au4 tetrahedra, and faces with twelve equivalent MnSn6Au4 tetrahedra. All Mn–Au bond lengths are 2.76 Å. All Mn–Sn bond lengths are 3.19 Å. Au is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Sn atoms. All Au–Sn bond lengths are 2.76 Å. Sn is bonded to six equivalent Mn and four equivalent Au atoms to form distorted SnMn6Au4 tetrahedra that share corners with four equivalent MnSn6Au4 tetrahedra, corners with six equivalent SnMn6Au4 tetrahedra, edges with six equivalent MnSn6Au4 tetrahedra, and faces with twelve equivalent SnMn6Au4 tetrahedra.
DOI: 10.17188/1197297
title: Materials Data on GdMgPt by Materials Project

description: GdPtMg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to four Pt atoms to form a mixture of distorted corner and edge-sharing MgPt4 tetrahedra. There are two shorter (2.75 Å) and two longer (2.87 Å) Mg–Pt bond lengths. Gd is bonded in a 5-coordinate geometry to five Pt atoms. There are one shorter (3.04 Å) and four longer (3.05 Å) Gd–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Gd atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Gd atoms.
DOI: 10.17188/1197298
title: Materials Data on MnNi2Ge by Materials Project

description: Ni2MnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ge atoms. All Mn–Ni bond lengths are 2.51 Å. All Mn–Ge bond lengths are 2.90 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.51 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Mn and eight equivalent Ni atoms.
DOI: 10.17188/1197299
title: Materials Data on YB6 by Materials Project

description: YB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Y–B bond lengths are 3.01 Å. B is bonded in a 1-coordinate geometry to four equivalent Y and five equivalent B atoms. There is one shorter (1.63 Å) and four longer (1.75 Å) B–B bond length.
DOI: 10.17188/1197300
title: Materials Data on EuBO3 by Materials Project

description: EuBO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.72 Å. In the second Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.78 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Eu3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Eu3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu3+ and one B3+ atom.
DOI: 10.17188/1197301
title: Materials Data on EuSnPd by Materials Project

description: EuPdSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Sn atoms. There are a spread of Eu–Pd bond distances ranging from 3.12–3.42 Å. There are a spread of Eu–Sn bond distances ranging from 3.34–3.47 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Eu and four equivalent Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.78–2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Pd atoms.
DOI: 10.17188/1197302
title: Materials Data on TbInIr by Materials Project

description: TbIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.06 Å) Tb–Ir bond lengths. There are two shorter (3.23 Å) and four longer (3.34 Å) Tb–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Ir–In bond lengths are 2.78 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Ir–In bond lengths are 2.84 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Ir atoms.
DOI: 10.17188/1197303
title: Materials Data on Ti5Sb3 by Materials Project

description: Ti5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.
DOI: 10.17188/1197304
title: Materials Data on KFe2S3 by Materials Project

description: KFe2S3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of K–S bond distances ranging from 3.32–3.71 Å. Fe+2.50+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. There are two shorter (2.12 Å) and two longer (2.18 Å) Fe–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Fe+2.50+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent K1+ and four equivalent Fe+2.50+ atoms.
DOI: 10.6084/m9.figshare.13660922.v1
title: Adaptation of Margin of Stability and its Components Control Differs Depending on Perturbation Direction

description: This dataset is from 10 healthy young adults during a treadmill perturbed walking experiment. The treadmill either briefly decelerated belt speed (“stick”), accelerated belt speed (“slip”), or shifted the platform medial-laterally (“M”, “L”). Marker data includes 3D coordinates of 16 lower body markers, treadmill data includes belt speeds and platform movements.
DOI: 10.17188/1197305
title: Materials Data on ZrSbPd by Materials Project

description: ZrPdSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Pd and five equivalent Sb atoms. There are a spread of Zr–Pd bond distances ranging from 3.14–3.26 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.07 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Sb atoms. There are a spread of Pd–Sb bond distances ranging from 2.66–2.75 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Pd atoms.
DOI: 10.17188/1197306
title: Materials Data on Cu6PbO8 by Materials Project

description: Cu6PbO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with two equivalent PbO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Cu–O bond lengths are 2.16 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share edges with twelve equivalent CuO6 octahedra. All Pb–O bond lengths are 2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Cu2+ atoms to form OCu6 octahedra that share corners with six equivalent OCu6 octahedra and edges with twelve equivalent OCu4Pb square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Cu2+ and one Pb4+ atom to form OCu4Pb square pyramids that share corners with nine equivalent OCu4Pb square pyramids, edges with four equivalent OCu6 octahedra, and edges with four equivalent OCu4Pb square pyramids.
DOI: 10.17188/1197307
title: Materials Data on Dy3(CuGe)4 by Materials Project

description: Dy3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Dy–Cu bond lengths. There are two shorter (2.99 Å) and four longer (3.05 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to six Ge atoms to form distorted edge-sharing DyGe6 octahedra. There are four shorter (2.93 Å) and two longer (3.01 Å) Dy–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Dy, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.52 Å. There are a spread of Cu–Ge bond distances ranging from 2.48–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Dy and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1197308
title: Materials Data on Nd3Te4 by Materials Project

description: Nd3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Nd+2.67+ is bonded to eight equivalent Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NdTe8 hexagonal bipyramids. There are four shorter (3.22 Å) and four longer (3.39 Å) Nd–Te bond lengths. Te2- is bonded to six equivalent Nd+2.67+ atoms to form a mixture of distorted edge, face, and corner-sharing TeNd6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.
DOI: 10.17188/1197309
title: Materials Data on Sn7Ir3 by Materials Project

description: Ir3Sn7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ir is bonded in a 8-coordinate geometry to eight Sn atoms. There are four shorter (2.79 Å) and four longer (2.81 Å) Ir–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Ir and four equivalent Sn atoms. There are one shorter (2.81 Å) and three longer (3.14 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Ir atoms.
DOI: 10.17188/1197310
title: Materials Data on HoGeRu by Materials Project

description: HoRuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to four equivalent Ru and six equivalent Ge atoms. There are a spread of Ho–Ru bond distances ranging from 2.94–3.00 Å. There are a spread of Ho–Ge bond distances ranging from 3.04–3.30 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.54–2.59 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ru atoms.
DOI: 10.17188/1197311
title: Materials Data on TlCd(NO2)3 by Materials Project

description: CdTl(NO2)3 is Cyanogen Chloride-derived structured and crystallizes in the cubic Pm-3 space group. The structure is zero-dimensional and consists of one cadmium molecule; three hydroxylamine, n-hydroxy- molecules; and one thallium molecule.
DOI: 10.17188/1197312
title: Materials Data on Sm2Ge2Ru by Materials Project

description: Sm2RuGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Sm–Ru bond lengths are 3.37 Å. There are a spread of Sm–Ge bond distances ranging from 2.96–3.34 Å. In the second Sm site, Sm is bonded in a 2-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.13–3.29 Å. There are a spread of Sm–Ge bond distances ranging from 3.00–3.49 Å. Ru is bonded in a 4-coordinate geometry to six Sm and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.48–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm, one Ru, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.91 Å.
DOI: 10.17188/1197313
title: Materials Data on B by Materials Project

description: B is T-50 Boron structured and crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are five inequivalent B sites. In the first B site, B is bonded in a distorted trigonal pyramidal geometry to four equivalent B atoms. All B–B bond lengths are 1.70 Å. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.72–1.83 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.71–1.82 Å. In the fourth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.74 Å) and two longer (1.80 Å) B–B bond length. In the fifth B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.78 Å) and one longer (1.86 Å) B–B bond length.