cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1724825
title: Materials Data on RbAlCuF6 by Materials Project

description: RbCuAlF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.98–3.11 Å. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra and corners with four equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 46–56°. There are a spread of Cu–F bond distances ranging from 1.90–2.17 Å. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra and corners with four equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 26–56°. There are a spread of Al–F bond distances ranging from 1.81–1.85 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rb1+, one Cu2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Cu2+, and one Al3+ atom.
DOI: 10.17188/1724826
title: Materials Data on ReAs3 by Materials Project

description: ReAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. In the second Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a distorted body-centered cubic geometry to four Re3+ and four As1- atoms. All As–As bond lengths are 2.78 Å. In the second As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms. In the third As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms.
DOI: 10.17188/1724827
title: Materials Data on La(Ga5Mo)8 by Materials Project

description: La(MoGa5)8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Mo and six equivalent Ga atoms. Both La–Mo bond lengths are 3.25 Å. All La–Ga bond lengths are 3.08 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to one La and nine Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.62–2.68 Å. In the second Mo site, Mo is bonded in a distorted q6 geometry to ten Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.57–2.71 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.92 Å) and six longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Mo atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and two equivalent Ga atoms. There are one shorter (2.78 Å) and one longer (3.00 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two equivalent Mo and one Ga atom. In the fifth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two Mo and one Ga atom. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and one Ga atom. The Ga–Ga bond length is 2.70 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two Mo and two equivalent Ga atoms. There are one shorter (2.75 Å) and one longer (2.94 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to one La, two Mo, and five Ga atoms.
DOI: 10.17188/1724828
title: Materials Data on DyPd2 by Materials Project

description: DyPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to eight equivalent Pd atoms to form distorted edge-sharing DyPd8 hexagonal bipyramids. All Dy–Pd bond lengths are 2.89 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.79 Å.
DOI: 10.17188/1724829
title: Materials Data on LaUS2 by Materials Project

description: ULaS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent LaS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All U–S bond lengths are 2.77 Å. La is bonded to six equivalent S atoms to form LaS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All La–S bond lengths are 2.92 Å. S is bonded to three equivalent U and three equivalent La atoms to form a mixture of corner and edge-sharing SLa3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1724831
title: Materials Data on Eu2HoTaO6 by Materials Project

description: HoEu2TaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–O bond lengths are 2.20 Å. Eu2+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent HoO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 2.97 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent HoO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to one Ho3+, four equivalent Eu2+, and one Ta5+ atom.
DOI: 10.17188/1724832
title: Materials Data on U by Materials Project

description: U crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded to eight U atoms to form a mixture of distorted edge and corner-sharing UU8 hexagonal bipyramids. There are a spread of U–U bond distances ranging from 2.53–3.34 Å. In the second U site, U is bonded to eight U atoms to form a mixture of distorted edge and corner-sharing UU8 hexagonal bipyramids. There are a spread of U–U bond distances ranging from 2.56–3.31 Å. In the third U site, U is bonded to eight U atoms to form a mixture of distorted edge and corner-sharing UU8 hexagonal bipyramids. There are a spread of U–U bond distances ranging from 2.55–3.32 Å. In the fourth U site, U is bonded to eight U atoms to form a mixture of edge and corner-sharing UU8 hexagonal bipyramids. There are a spread of U–U bond distances ranging from 2.61–3.25 Å. In the fifth U site, U is bonded to eight U atoms to form a mixture of edge and corner-sharing UU8 hexagonal bipyramids. There are a spread of U–U bond distances ranging from 2.62–3.25 Å.
DOI: 10.17188/1724833
title: Materials Data on Zn(NCl2)2 by Materials Project

description: ZnCl2(NCl)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight chloramine molecules and four zinc chloride molecules.
DOI: 10.17188/1724834
title: Materials Data on Ce2Fe2S5 by Materials Project

description: Ce2Fe2S5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.86–2.98 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.89–2.99 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to five S2- atoms to form distorted FeS5 trigonal bipyramids that share corners with two equivalent FeS5 trigonal bipyramids and faces with two equivalent FeS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.29–2.62 Å. In the second Fe2+ site, Fe2+ is bonded to six S2- atoms to form distorted FeS6 octahedra that share edges with two equivalent FeS6 octahedra and faces with two equivalent FeS5 trigonal bipyramids. There are a spread of Fe–S bond distances ranging from 2.53–2.60 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two Ce3+ and three Fe2+ atoms. In the second S2- site, S2- is bonded to four Ce3+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SCe4Fe trigonal bipyramids. In the third S2- site, S2- is bonded to four Ce3+ and one Fe2+ atom to form a mixture of distorted edge and corner-sharing SCe4Fe square pyramids. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three Ce3+ and three Fe2+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to three Ce3+ and three Fe2+ atoms.
DOI: 10.17188/1724835
title: Materials Data on Nb6GePt by Materials Project

description: Nb6PtGe crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Pt, and two equivalent Ge atoms. Both Nb–Nb bond lengths are 2.60 Å. Both Nb–Pt bond lengths are 2.90 Å. Both Nb–Ge bond lengths are 2.90 Å. Pt is bonded to twelve equivalent Nb atoms to form PtNb12 cuboctahedra that share edges with six equivalent PtNb12 cuboctahedra and faces with eight equivalent GeNb12 cuboctahedra. Ge is bonded to twelve equivalent Nb atoms to form GeNb12 cuboctahedra that share edges with six equivalent GeNb12 cuboctahedra and faces with eight equivalent PtNb12 cuboctahedra.
DOI: 10.17188/1724836
title: Materials Data on Sc50In3Rh13 by Materials Project

description: Sc50Rh13In3 crystallizes in the cubic Fm-3 space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.74 Å. In the second Sc site, Sc is bonded in a 1-coordinate geometry to three equivalent Rh and one In atom. There are a spread of Sc–Rh bond distances ranging from 2.69–3.21 Å. The Sc–In bond length is 3.25 Å. In the third Sc site, Sc is bonded to four Rh atoms to form a mixture of distorted edge and corner-sharing ScRh4 tetrahedra. There are one shorter (2.78 Å) and three longer (2.99 Å) Sc–Rh bond lengths. In the fourth Sc site, Sc is bonded in a distorted single-bond geometry to one Rh and one In atom. The Sc–Rh bond length is 2.68 Å. The Sc–In bond length is 3.09 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Sc atoms. There are two inequivalent In sites. In the first In site, In is bonded in a cuboctahedral geometry to twelve equivalent Sc atoms. In the second In site, In is bonded in a cuboctahedral geometry to twelve equivalent Sc atoms.
DOI: 10.17188/1724837
title: Materials Data on NaBeHCO5 by Materials Project

description: NaBeCHO5 crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Na is bonded to seven O atoms to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent NaO7 pentagonal bipyramids, corners with two equivalent BeO4 tetrahedra, and edges with five equivalent NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.29–2.74 Å. Be is bonded to four O atoms to form BeO4 tetrahedra that share corners with two equivalent NaO7 pentagonal bipyramids and corners with two equivalent BeO4 tetrahedra. All Be–O bond lengths are 1.64 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Na and one C atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Be and one H atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Na, one Be, and one C atom. In the fourth O site, O is bonded in a single-bond geometry to one Na atom.
DOI: 10.17188/1724838
title: Materials Data on TbGaNi4 by Materials Project

description: TbNi4Ga crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.68 Å) and twelve longer (3.31 Å) Tb–Ni bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Ga atoms. There are six shorter (2.99 Å) and six longer (3.04 Å) Tb–Ni bond lengths. All Tb–Ga bond lengths are 3.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three Tb, six Ni, and two equivalent Ga atoms. There are four shorter (2.44 Å) and two longer (2.68 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.39 Å. In the second Ni site, Ni is bonded to four Tb, six Ni, and two equivalent Ga atoms to form distorted NiTb4Ga2Ni6 cuboctahedra that share corners with four equivalent GaTb4Ni8 cuboctahedra, corners with fourteen equivalent NiTb4Ga2Ni6 cuboctahedra, edges with five equivalent NiTb4Ga2Ni6 cuboctahedra, faces with six equivalent GaTb4Ni8 cuboctahedra, and faces with seven equivalent NiTb4Ga2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.63 Å. Both Ni–Ga bond lengths are 2.61 Å. Ga is bonded to four equivalent Tb and eight Ni atoms to form distorted GaTb4Ni8 cuboctahedra that share corners with eight equivalent NiTb4Ga2Ni6 cuboctahedra, corners with eight equivalent GaTb4Ni8 cuboctahedra, faces with six equivalent GaTb4Ni8 cuboctahedra, and faces with twelve equivalent NiTb4Ga2Ni6 cuboctahedra.
DOI: 10.17188/1724840
title: Materials Data on Ho2ZnCuSi2 by Materials Project

description: Ho2CuZnSi2 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to two equivalent Cu, four equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn4Cu2Si6 cuboctahedra. Both Ho–Cu bond lengths are 3.05 Å. All Ho–Zn bond lengths are 3.08 Å. There are four shorter (3.09 Å) and two longer (3.13 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded to four equivalent Cu, two equivalent Zn, and six Si atoms to form a mixture of edge and face-sharing HoZn2Cu4Si6 cuboctahedra. All Ho–Cu bond lengths are 3.07 Å. Both Ho–Zn bond lengths are 3.11 Å. There are two shorter (3.03 Å) and four longer (3.07 Å) Ho–Si bond lengths. Cu is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.30 Å) and two longer (2.32 Å) Cu–Si bond lengths. Zn is bonded in a distorted trigonal planar geometry to six Ho and three Si atoms. There are one shorter (2.37 Å) and two longer (2.38 Å) Zn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to six Ho, two equivalent Cu, and one Zn atom. In the second Si site, Si is bonded in a 2-coordinate geometry to six Ho, one Cu, and two equivalent Zn atoms.
DOI: 10.17188/1724841
title: Materials Data on Tl4AuSe3 by Materials Project

description: AuTl4Se3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Au2+ is bonded to six Se2- atoms to form corner-sharing AuSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are two shorter (3.07 Å) and four longer (3.16 Å) Au–Se bond lengths. Tl1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Tl–Se bond distances ranging from 2.92–3.42 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to two equivalent Au2+ and eight equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Au2+ and six equivalent Tl1+ atoms.
DOI: 10.17188/1724842
title: Materials Data on GaN by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724843
title: Materials Data on V2Te2O7F2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724845
title: Materials Data on Sm2GaAg by Materials Project

description: Sm2AgGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Ga atoms. All Sm–Ag bond lengths are 3.20 Å. All Sm–Ga bond lengths are 3.20 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1724846
title: Materials Data on Cr2Co by Materials Project

description: Co1Cr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr is bonded to six equivalent Cr and six equivalent Co atoms to form a mixture of edge, corner, and face-sharing CrCr6Co6 cuboctahedra. All Cr–Cr bond lengths are 2.31 Å. All Cr–Co bond lengths are 2.71 Å. Co is bonded in a 12-coordinate geometry to twelve equivalent Cr and four equivalent Co atoms. All Co–Co bond lengths are 2.83 Å.
DOI: 10.17188/1724847
title: Materials Data on ErAlSi by Materials Project

description: ErAlSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Er is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing ErAl6Si6 cuboctahedra. There are four shorter (3.13 Å) and two longer (3.14 Å) Er–Al bond lengths. There are four shorter (3.11 Å) and two longer (3.19 Å) Er–Si bond lengths. Al is bonded in a distorted trigonal planar geometry to six equivalent Er and three equivalent Si atoms. There are two shorter (2.38 Å) and one longer (2.39 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Er and three equivalent Al atoms.
DOI: 10.17188/1724848
title: Materials Data on LaCu(WO4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724849
title: Materials Data on In6WO12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724850
title: Materials Data on Li4Fe3Ni2Sn3O16 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724852
title: Materials Data on Sm3AlN by Materials Project

description: Sm3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Sm–Al bond lengths are 3.48 Å. Both Sm–N bond lengths are 2.46 Å. Al is bonded to twelve equivalent Sm atoms to form AlSm12 cuboctahedra that share corners with twelve equivalent AlSm12 cuboctahedra, faces with six equivalent AlSm12 cuboctahedra, and faces with eight equivalent NSm6 octahedra. N is bonded to six equivalent Sm atoms to form NSm6 octahedra that share corners with six equivalent NSm6 octahedra and faces with eight equivalent AlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1724853
title: Materials Data on Ca2MnFeSi4(HO3)5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1724854
title: Materials Data on Tm2B6Rh by Materials Project

description: Tm2RhB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Rh and fourteen B atoms. There are a spread of Tm–Rh bond distances ranging from 3.05–3.16 Å. There are a spread of Tm–B bond distances ranging from 2.71–2.79 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to two equivalent Rh and twelve B atoms. There are one shorter (2.84 Å) and one longer (2.86 Å) Tm–Rh bond lengths. There are a spread of Tm–B bond distances ranging from 2.58–2.61 Å. Rh is bonded in a 12-coordinate geometry to five Tm and ten B atoms. There are a spread of Rh–B bond distances ranging from 2.34–2.40 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Tm and three B atoms. There are a spread of B–B bond distances ranging from 1.77–2.12 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Tm, two equivalent Rh, and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Tm, two equivalent Rh, and three B atoms. There is two shorter (1.79 Å) and one longer (1.81 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four Tm, two equivalent Rh, and three B atoms. The B–B bond length is 1.81 Å. In the fifth B site, B is bonded in a 9-coordinate geometry to four Tm, two equivalent Rh, and three B atoms. The B–B bond length is 1.83 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Tm, two equivalent Rh, and three B atoms.