cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1279709
title: Materials Data on Ce12InPt7 by Materials Project

description: Ce12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Ce–Pt bond distances ranging from 2.93–3.33 Å. The Ce–In bond length is 3.35 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.76–3.65 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.99 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 1-coordinate geometry to eight Ce atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Ce atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ce atoms.
DOI: 10.17188/1279710
title: Materials Data on Zn3(InS3)2 by Materials Project

description: Zn3In2S6 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Zn3In2S6 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are three shorter (2.36 Å) and one longer (2.57 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with nine ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.35 Å) and one longer (2.52 Å) Zn–S bond lengths. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent InS6 octahedra, corners with three equivalent InS4 tetrahedra, and corners with six equivalent ZnS4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are one shorter (2.25 Å) and three longer (2.40 Å) Zn–S bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with six ZnS4 tetrahedra and edges with six equivalent InS6 octahedra. There are three shorter (2.62 Å) and three longer (2.69 Å) In–S bond lengths. In the second In3+ site, In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with three equivalent ZnS4 tetrahedra and corners with six equivalent InS4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.51 Å) In–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to three equivalent Zn2+ and one In3+ atom to form corner-sharing SZn3In tetrahedra. In the fourth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Zn2+ and three equivalent In3+ atoms. In the fifth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In3+ atoms. In the sixth S2- site, S2- is bonded to one Zn2+ and three equivalent In3+ atoms to form distorted corner-sharing SZnIn3 tetrahedra.
DOI: 10.17188/1279711
title: Materials Data on Mn2SnC10(ClO5)2 (SG:14) 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: 10.17188/1279713
title: Materials Data on CeRhC2 by Materials Project

description: CeRhC2 crystallizes in the tetragonal P4_3 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight C3- atoms. There are a spread of Ce–C bond distances ranging from 2.75–2.93 Å. Rh3+ is bonded in a 4-coordinate geometry to four C3- atoms. There are a spread of Rh–C bond distances ranging from 2.03–2.15 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded in a 7-coordinate geometry to four equivalent Ce3+, two equivalent Rh3+, and one C3- atom. The C–C bond length is 1.37 Å. In the second C3- site, C3- is bonded in a 7-coordinate geometry to four equivalent Ce3+, two equivalent Rh3+, and one C3- atom.
DOI: 10.17188/1279714
title: Materials Data on K2Mo4O13 by Materials Project

description: K2Mo4O13 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.23 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.06 Å. There are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.43 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the third Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.34 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.30 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Mo6+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and three Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and two equivalent Mo6+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms.
DOI: 10.17188/1279715
title: Materials Data on ZrGeRu by Materials Project

description: ZrRuGe crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to four Ru and five Ge atoms. There are two shorter (2.98 Å) and two longer (3.20 Å) Zr–Ru bond lengths. There are a spread of Zr–Ge bond distances ranging from 2.76–2.79 Å. In the second Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five Ge atoms. There are a spread of Zr–Ru bond distances ranging from 2.90–3.00 Å. There are four shorter (2.79 Å) and one longer (2.96 Å) Zr–Ge bond lengths. In the third Zr site, Zr is bonded in a 11-coordinate geometry to six Ru and five Ge atoms. There are a spread of Zr–Ru bond distances ranging from 2.98–3.23 Å. There are a spread of Zr–Ge bond distances ranging from 2.77–2.82 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to five Zr, one Ru, and four Ge atoms. The Ru–Ru bond length is 2.90 Å. There are a spread of Ru–Ge bond distances ranging from 2.52–2.62 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to six Zr, two equivalent Ru, and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.64 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Zr and three Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Zr and six Ru atoms.
DOI: 10.17188/1279716
title: Materials Data on ZrInNi4 by Materials Project

description: ZrNi4In is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Zr–Ni bond lengths are 2.85 Å. All Zr–In bond lengths are 2.97 Å. Ni is bonded to three equivalent Zr, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiZr3In3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. All Ni–In bond lengths are 2.85 Å. In is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Ni atoms.
DOI: 10.17188/1279718
title: Materials Data on Cr3GeN by Materials Project

description: GeNCr3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.65 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Cr–N bond length. In the second Cr site, Cr is bonded in a linear geometry to four Ge and two equivalent N atoms. There are three shorter (2.67 Å) and one longer (2.68 Å) Cr–Ge bond lengths. There are one shorter (2.00 Å) and one longer (2.01 Å) Cr–N bond lengths. In the third Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.65 Å. Both Cr–N bond lengths are 1.94 Å. In the fourth Cr site, Cr is bonded in a distorted bent 150 degrees geometry to three Ge and two equivalent N atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.64 Å. Both Cr–N bond lengths are 1.94 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. In the second Ge site, Ge is bonded in a distorted q6 geometry to ten Cr atoms. N is bonded to six Cr atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–27°.
DOI: 10.17188/1279719
title: Materials Data on LaGaNi by Materials Project

description: LaNiGa crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Ga atoms. There are a spread of La–Ni bond distances ranging from 2.89–3.06 Å. There are a spread of La–Ga bond distances ranging from 3.23–3.62 Å. Ni is bonded in a 9-coordinate geometry to four equivalent La, one Ni, and four equivalent Ga atoms. The Ni–Ni bond length is 2.32 Å. There are a spread of Ni–Ga bond distances ranging from 2.62–2.93 Å. Ga is bonded to six equivalent La, four equivalent Ni, and two equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaLa6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.79 Å.
DOI: 10.17188/1279720
title: Materials Data on Mn2SnC10(BrO5)2 (SG:14) 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: 10.17188/1279721
title: Materials Data on Gd(FeGe)2 by Materials Project

description: GdFe2Ge2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. There are a spread of Gd–Fe bond distances ranging from 3.30–3.37 Å. There are four shorter (3.08 Å) and four longer (3.09 Å) Gd–Ge bond lengths. Fe is bonded to four equivalent Gd and four equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing FeGd4Ge4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.44 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to four equivalent Gd, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1279722
title: Materials Data on As5Pb3S10 by Materials Project

description: Pb3As5S10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.87–3.43 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.86–3.38 Å. In the third Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.86–3.56 Å. There are five inequivalent As+2.80+ sites. In the first As+2.80+ site, As+2.80+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.26–3.03 Å. In the second As+2.80+ site, As+2.80+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.40 Å. In the third As+2.80+ site, As+2.80+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the fourth As+2.80+ site, As+2.80+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.22–2.68 Å. In the fifth As+2.80+ site, As+2.80+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.38 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Pb2+ and two As+2.80+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two Pb2+ and two As+2.80+ atoms. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one As+2.80+ atom. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Pb2+ and two As+2.80+ atoms. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one As+2.80+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to two Pb2+ and one As+2.80+ atom. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to one Pb2+ and two As+2.80+ atoms. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to one Pb2+ and three As+2.80+ atoms. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to two Pb2+ and one As+2.80+ atom. In the tenth S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one As+2.80+ atom.
DOI: 10.17188/1279723
title: Materials Data on SrZn5 by Materials Project

description: SrZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.23 Å) and twelve longer (3.51 Å) Sr–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded to four equivalent Sr and eight Zn atoms to form a mixture of edge, face, and corner-sharing ZnSr4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.80 Å.
DOI: 10.17188/1279725
title: Materials Data on SeO2 by Materials Project

description: SeO2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of four SeO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.85 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.65 Å) and two longer (1.84 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Se4+ atoms.
DOI: 10.17188/1279726
title: Materials Data on RbPPbS4 by Materials Project

description: RbPbPS4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.91 Å. Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.96–3.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.05–2.07 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Pb2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+, one Pb2+, and one P5+ atom.
DOI: 10.17188/1279727
title: Materials Data on UGeS by Materials Project

description: UGeS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to five equivalent Ge and four equivalent S atoms. There are one shorter (2.85 Å) and four longer (3.08 Å) U–Ge bond lengths. All U–S bond lengths are 2.70 Å. Ge is bonded to five equivalent U atoms to form distorted GeU5 trigonal bipyramids that share corners with twelve equivalent SU4 tetrahedra, corners with four equivalent GeU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with eight equivalent GeU5 trigonal bipyramids. S is bonded to four equivalent U atoms to form SU4 tetrahedra that share corners with four equivalent SU4 tetrahedra, corners with twelve equivalent GeU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with four equivalent GeU5 trigonal bipyramids.
DOI: 10.17188/1279729
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 trigonal pyramids. There are a spread of Si–O bond distances ranging from 1.55–1.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1279730
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Si4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.68 Å) and two longer (1.85 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1279731
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Si4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.57–1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1279732
title: Materials Data on Mo9Se11 by Materials Project

description: Mo9Se11 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Mo+2.44+ sites. In the first Mo+2.44+ site, Mo+2.44+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.73 Å. In the second Mo+2.44+ site, Mo+2.44+ is bonded in a see-saw-like geometry to four Se2- atoms. There are three shorter (2.57 Å) and one longer (2.60 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to three equivalent Mo+2.44+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.44+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Mo+2.44+ atoms.
DOI: 10.17188/1279733
title: Materials Data on SiO2 by Materials Project

description: SiO2 crystallizes in the cubic F4_132 space group. The structure is three-dimensional. Si4+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.82 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Si4+ atoms.
DOI: 10.17188/1279734
title: Materials Data on LuNiGe2 by Materials Project

description: LuNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Lu–Ni bond lengths are 3.11 Å. There are a spread of Lu–Ge bond distances ranging from 3.13–3.28 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.07 Å) and two longer (3.18 Å) Lu–Ni bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.87–2.92 Å. Ni is bonded in a 10-coordinate geometry to five Lu and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Lu, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Lu, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.43 Å.