cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1692410
title: Materials Data on AsC3N3Cl3F7 by Materials Project

description: (CNCl)3C3N3Cl3F2(AsF6)2 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two 2,4,6-trichloro-1,3,5-triazin-1-ium molecules; four AsF6 clusters; and two C3N3Cl3F2 clusters. In each AsF6 cluster, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In each C3N3Cl3F2 cluster, there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N+2.33- and one Cl1- atom. There is one shorter (1.32 Å) and one longer (1.39 Å) C–N bond length. The C–Cl bond length is 1.64 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two equivalent N+2.33- and one Cl1- atom. Both C–N bond lengths are 1.36 Å. The C–Cl bond length is 1.62 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded in a trigonal planar geometry to two C4+ and one F1- atom. The N–F bond length is 1.35 Å. In the second N+2.33- site, N+2.33- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one N+2.33- atom.
DOI: 10.17188/1692411
title: Materials Data on K2Mn5Si12O31 by Materials Project

description: K2Mn5Si12O31 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. All K–O bond lengths are 3.05 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.82 Å) and six longer (3.03 Å) K–O bond lengths. There are two inequivalent Mn+2.40+ sites. In the first Mn+2.40+ site, Mn+2.40+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six SiO4 tetrahedra and edges with three equivalent MnO4 tetrahedra. There are three shorter (2.19 Å) and three longer (2.28 Å) Mn–O bond lengths. In the second Mn+2.40+ site, Mn+2.40+ is bonded to four O2- atoms to form distorted MnO4 tetrahedra that share corners with four SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are two shorter (2.06 Å) and two longer (2.10 Å) Mn–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one MnO6 octahedra, a cornercorner with one MnO4 tetrahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one MnO6 octahedra, a cornercorner with one MnO4 tetrahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.85 Å) and six longer (3.09 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ and one O2- atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, two Mn+2.40+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+2.40+, one Si4+, and one O2- atom.
DOI: 10.17188/1692412
title: Materials Data on Ca10Ge6F by Materials Project

description: Ca10Ge6F crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a rectangular see-saw-like geometry to four equivalent Ge atoms. All Ca–Ge bond lengths are 3.09 Å. In the second Ca site, Ca is bonded in a single-bond geometry to five Ge and one F atom. There are a spread of Ca–Ge bond distances ranging from 3.15–3.25 Å. The Ca–F bond length is 2.35 Å. In the third Ca site, Ca is bonded to five Ge atoms to form a mixture of distorted edge and corner-sharing CaGe5 trigonal bipyramids. There are three shorter (3.10 Å) and two longer (3.26 Å) Ca–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Ca atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å. F is bonded in a tetrahedral geometry to four equivalent Ca atoms.
DOI: 10.17188/1692413
title: Materials Data on Pm3Au by Materials Project

description: Pm3Au is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Au atoms to form a mixture of distorted corner and edge-sharing PmAu4 cuboctahedra. All Pm–Au bond lengths are 3.47 Å. In the second Pm site, Pm is bonded in a square co-planar geometry to four equivalent Au atoms. All Pm–Au bond lengths are 3.33 Å. Au is bonded to twelve Pm atoms to form a mixture of corner, edge, and face-sharing AuPm12 cuboctahedra.
DOI: 10.17188/1692414
title: Materials Data on Li8Mn6(FeO6)3 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: 10.17188/1692415
title: Materials Data on Ni(BMo)3 by Materials Project

description: Ni(MoB)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mo+2.33+ sites. In the first Mo+2.33+ site, Mo+2.33+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Mo–B bond distances ranging from 2.30–2.56 Å. In the second Mo+2.33+ site, Mo+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.35–2.48 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six Mo+2.33+, two equivalent Ni2+, and one B3- atom. The B–B bond length is 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Mo+2.33+ and two equivalent B3- atoms.
DOI: 10.17188/1692416
title: Materials Data on Mg3Mn3(BO5)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: 10.17188/1692417
title: Materials Data on Zn(BO3)3 by Materials Project

description: Zn(BO3)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Zn(BO3)3 ribbons oriented in the (0, 1, 0) direction. Zn is bonded to four O atoms to form distorted ZnO4 trigonal pyramids that share corners with four equivalent BO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.95–2.06 Å. There are two inequivalent B sites. In the first B site, B is bonded to four O atoms to form BO4 tetrahedra that share a cornercorner with one BO4 tetrahedra and corners with two equivalent ZnO4 trigonal pyramids. There are a spread of B–O bond distances ranging from 1.40–1.54 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.33 Å) and one longer (1.55 Å) B–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to one B atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Zn and one B atom. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom. In the fifth O site, O is bonded in a trigonal planar geometry to one Zn and two equivalent B atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one B atom.
DOI: 10.17188/1692418
title: Materials Data on Cs3Bi2Cl9 by Materials Project

description: Cs3Bi2Cl9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form distorted CsCl12 cuboctahedra that share corners with nine CsCl12 cuboctahedra, a cornercorner with one BiCl6 octahedra, faces with seven CsCl12 cuboctahedra, and faces with six BiCl6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are a spread of Cs–Cl bond distances ranging from 3.72–4.20 Å. In the second Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve CsCl12 cuboctahedra, faces with six CsCl12 cuboctahedra, and faces with five BiCl6 octahedra. There are a spread of Cs–Cl bond distances ranging from 3.79–3.99 Å. In the third Cs1+ site, Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with nine CsCl12 cuboctahedra, corners with two equivalent BiCl6 octahedra, faces with seven CsCl12 cuboctahedra, and faces with four BiCl6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of Cs–Cl bond distances ranging from 3.79–4.10 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six Cl1- atoms to form BiCl6 octahedra that share corners with three equivalent BiCl6 octahedra and faces with eight CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Bi–Cl bond distances ranging from 2.59–2.90 Å. In the second Bi3+ site, Bi3+ is bonded to six Cl1- atoms to form BiCl6 octahedra that share corners with three CsCl12 cuboctahedra, corners with three equivalent BiCl6 octahedra, and faces with seven CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Bi–Cl bond distances ranging from 2.62–2.89 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Bi3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Bi3+ atom. In the third Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Cs1+ and two Bi3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and two Bi3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Bi3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Bi3+ atom.
DOI: 10.17188/1692419
title: Materials Data on Rb2NaCrCl6 by Materials Project

description: Rb2NaCrCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent CrCl6 octahedra. All Rb–Cl bond lengths are 3.65 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent CrCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.78 Å. Cr3+ is bonded to six equivalent Cl1- atoms to form CrCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–Cl bond lengths are 2.37 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Cr3+ atom.
DOI: 10.17188/1692420
title: Materials Data on Na5Fe2P2(CO7)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: 10.17188/1692421
title: Materials Data on Li3Mn4(P2O7)4 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: 10.17188/1692422
title: Materials Data on CeFe9Si4 by Materials Project

description: CeFe9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Fe and eight equivalent Si atoms. There are eight shorter (3.19 Å) and eight longer (3.32 Å) Ce–Fe bond lengths. All Ce–Si bond lengths are 3.25 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ce, six Fe, and four equivalent Si atoms to form a mixture of distorted face and corner-sharing FeCe2Fe6Si4 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.33–2.56 Å. There are two shorter (2.48 Å) and two longer (2.53 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to two equivalent Ce, three Fe, and four equivalent Si atoms. The Fe–Fe bond length is 2.48 Å. There are a spread of Fe–Si bond distances ranging from 2.35–2.42 Å. In the third Fe site, Fe is bonded to eight Fe and four equivalent Si atoms to form a mixture of face and corner-sharing FeFe8Si4 cuboctahedra. All Fe–Si bond lengths are 2.35 Å. Si is bonded in a 12-coordinate geometry to two equivalent Ce, nine Fe, and one Si atom. The Si–Si bond length is 2.79 Å.
DOI: 10.17188/1692423
title: Materials Data on KMnCl3O2 by Materials Project

description: KMnO2Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to one O and seven Cl atoms. The K–O bond length is 2.86 Å. There are a spread of K–Cl bond distances ranging from 3.28–3.59 Å. Mn is bonded in a distorted trigonal bipyramidal geometry to two O and three Cl atoms. There is one shorter (1.60 Å) and one longer (1.62 Å) Mn–O bond length. There are a spread of Mn–Cl bond distances ranging from 2.19–2.41 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Mn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Mn atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to two equivalent K and one Mn atom. In the third Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Mn atom.
DOI: 10.17188/1692424
title: Materials Data on V(PO3)4 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: 10.17188/1692425
title: Materials Data on RbV2Fe(AgO4)2 by Materials Project

description: RbV2Fe(AgO4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent VO4 tetrahedra, edges with six equivalent AgO4 tetrahedra, and faces with two equivalent FeO6 octahedra. There are six shorter (3.07 Å) and six longer (3.23 Å) Rb–O bond lengths. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent FeO6 octahedra, corners with four equivalent AgO4 tetrahedra, and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 33°. There is one shorter (1.68 Å) and three longer (1.78 Å) V–O bond length. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent VO4 tetrahedra, corners with six equivalent AgO4 tetrahedra, and faces with two equivalent RbO12 cuboctahedra. All Fe–O bond lengths are 2.03 Å. Ag1+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with three equivalent FeO6 octahedra, corners with four equivalent VO4 tetrahedra, and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 69°. There are three shorter (2.37 Å) and one longer (2.43 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, one V5+, one Fe3+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Rb1+, one V5+, and one Ag1+ atom.
DOI: 10.17188/1692426
title: Materials Data on La5CuPb3 by Materials Project

description: La5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing LaCu2Pb5 pentagonal bipyramids. Both La–Cu bond lengths are 3.04 Å. There are a spread of La–Pb bond distances ranging from 3.37–3.83 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.49 Å. Cu is bonded to six equivalent La atoms to form face-sharing CuLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.
DOI: 10.17188/1692427
title: Materials Data on GeH6C2(SO3)2 by Materials Project

description: GeC2H6(SO3)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ge4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.40 Å) Ge–O bond lengths. C3+ is bonded in a distorted trigonal non-coplanar geometry to three H1+ and one S2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–S bond length is 1.76 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. S2- is bonded in a distorted trigonal non-coplanar geometry to one C3+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one S2- atom.
DOI: 10.17188/1692428
title: Materials Data on Li3Mn4(P2O7)4 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: 10.17188/1692429
title: Materials Data on Nb3N by Materials Project

description: Nb3N crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent Nb sites. In the first Nb site, Nb is bonded in a bent 120 degrees geometry to two N atoms. There are one shorter (2.15 Å) and one longer (2.26 Å) Nb–N bond lengths. In the second Nb site, Nb is bonded in a water-like geometry to two N atoms. There are one shorter (2.17 Å) and one longer (2.23 Å) Nb–N bond lengths. In the third Nb site, Nb is bonded in a bent 120 degrees geometry to two N atoms. There are one shorter (2.12 Å) and one longer (2.13 Å) Nb–N bond lengths. In the fourth Nb site, Nb is bonded in a water-like geometry to two N atoms. There are one shorter (2.18 Å) and one longer (2.41 Å) Nb–N bond lengths. In the fifth Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two N atoms. Both Nb–N bond lengths are 2.24 Å. In the sixth Nb site, Nb is bonded in a distorted bent 120 degrees geometry to two N atoms. There are one shorter (2.14 Å) and one longer (2.17 Å) Nb–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded to six Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. In the second N site, N is bonded to six Nb atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 43–61°.
DOI: 10.17188/1692430
title: Materials Data on Tm2Ge6Pd by Materials Project

description: Tm2PdGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.96–3.10 Å. In the second Tm site, Tm is bonded in a 8-coordinate geometry to four equivalent Pd and ten Ge atoms. All Tm–Pd bond lengths are 3.14 Å. There are a spread of Tm–Ge bond distances ranging from 3.08–3.44 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Tm and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.50 Å) Pd–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Tm, two equivalent Pd, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.86 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tm and five Ge atoms. All Ge–Ge bond lengths are 2.86 Å. In the third Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Tm, two equivalent Pd, and five Ge atoms. The Ge–Ge bond length is 2.51 Å. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tm and five Ge atoms. In the fifth Ge site, Ge is bonded in a 1-coordinate geometry to six Tm, one Pd, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Tm and two equivalent Ge atoms.