cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1674894
title: Materials Data on CsY(MoO4)2 by Materials Project

description: CsY(MoO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.22–3.58 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.29–2.54 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Y3+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Mo6+ atom.
DOI: 10.17188/1674895
title: Materials Data on K2Mn2(SO4)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: 10.17188/1674896
title: Materials Data on LiCoSiO4 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: 10.17188/1674897
title: Materials Data on HfMg6CO8 by Materials Project

description: Mg6HfCO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.13 Å) and two longer (2.27 Å) Mg–O bond lengths. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six MgO6 octahedra and edges with four equivalent HfO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.13 Å) and two longer (2.41 Å) Mg–O bond lengths. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.63 Å. Hf is bonded to six O atoms to form HfO6 octahedra that share corners with four equivalent HfO6 octahedra and edges with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.04 Å) and four longer (2.13 Å) Hf–O bond lengths. C is bonded in a square co-planar geometry to four equivalent O atoms. All C–O bond lengths are 2.13 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Mg and one Hf atom to form distorted OHfMg4 trigonal bipyramids that share corners with five equivalent OHfMg4 trigonal bipyramids and edges with eight OMg6 octahedra. In the second O site, O is bonded to six Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra, edges with four equivalent OHf2Mg4 octahedra, and edges with four equivalent OHfMg4 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–12°. In the third O site, O is bonded in a distorted square co-planar geometry to four Mg and two equivalent C atoms. In the fourth O site, O is bonded to four Mg and two equivalent Hf atoms to form distorted OHf2Mg4 octahedra that share corners with four equivalent OHf2Mg4 octahedra, edges with eight OMg6 octahedra, and edges with four equivalent OHfMg4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1674899
title: Materials Data on K5Mn3O6 by Materials Project

description: K5Mn3O6 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.11 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.38 Å. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.97 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share corners with six MnO4 trigonal pyramids and an edgeedge with one MnO4 trigonal pyramid. There are a spread of K–O bond distances ranging from 2.71–2.96 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.25 Å. There are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent KO4 trigonal pyramids and edges with two MnO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 1.92–1.96 Å. In the second Mn+2.33+ site, Mn+2.33+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent KO4 trigonal pyramids and edges with two MnO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 2.07–2.11 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded to four O2- atoms to form distorted MnO4 trigonal pyramids that share corners with two equivalent KO4 trigonal pyramids, an edgeedge with one KO4 trigonal pyramid, and edges with two MnO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 2.07–2.12 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted octahedral geometry to four K1+ and two Mn+2.33+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two Mn+2.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four K1+ and two Mn+2.33+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two Mn+2.33+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two Mn+2.33+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and two Mn+2.33+ atoms.
DOI: 10.17188/1674900
title: Materials Data on UNb4O12 by Materials Project

description: UNb4O2(O2)5 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of six O2 sheets oriented in the (0, 0, 1) direction and two UNb4O2 sheets oriented in the (0, 0, 1) direction. In two of the O2 sheets, O2- is bonded in a square co-planar geometry to four equivalent O2- atoms. All O–O bond lengths are 2.96 Å. In four of the O2 sheets, O2- is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.49 Å) and two longer (2.70 Å) O–O bond lengths. In each UNb4O2 sheet, U4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Nb5+ is bonded in a single-bond geometry to one O2- atom. The Nb–O bond length is 2.16 Å. O2- is bonded in a square co-planar geometry to two equivalent U4+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1674901
title: Materials Data on LaH2SNO7 by Materials Project

description: LaNH2SO7 crystallizes in the tetragonal P4_1 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.77 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.30 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.51–1.66 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one La3+, one H1+, and one O2- atom. The O–O bond length is 1.47 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one N3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one La3+, one H1+, and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one La3+, one H1+, and one O2- atom.
DOI: 10.17188/1674902
title: Materials Data on NdCuPbC3O11 by Materials Project

description: NdCuPbC3O11 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Nd3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.90 Å. Cu3+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.76–2.46 Å. Pb4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.90 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.33 Å. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.32 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+, one Pb4+, and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cu3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+, one Pb4+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+, one Pb4+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Nd3+, one Cu3+, and one Pb4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+, one Cu3+, and one C4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu3+, one Pb4+, and one C4+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu3+, one Pb4+, and one C4+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one C4+ atom.
DOI: 10.17188/1674903
title: Materials Data on Mo2As3P by Materials Project

description: Mo2As3P crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to seven As3- atoms to form a mixture of distorted face and corner-sharing MoAs7 pentagonal bipyramids. There are a spread of Mo–As bond distances ranging from 2.59–2.77 Å. In the second Mo2+ site, Mo2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Mo–As bond distances ranging from 2.58–2.79 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. There are two shorter (2.92 Å) and one longer (2.97 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to three Mo2+ and three equivalent P5+ atoms. There are one shorter (2.38 Å) and two longer (2.73 Å) As–P bond lengths. P5+ is bonded in a 1-coordinate geometry to three equivalent As3- atoms.
DOI: 10.17188/1674904
title: Materials Data on Nb4Pb3O13 by Materials Project

description: Pb3Nb4O13 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra, edges with two equivalent PbO8 hexagonal bipyramids, and edges with two equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 31–45°. There are a spread of Nb–O bond distances ranging from 1.95–2.06 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra, edges with two equivalent PbO8 hexagonal bipyramids, and edges with four equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 40–41°. All Nb–O bond lengths are 2.02 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and edges with four equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 39–40°. There are four shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to seven O2- atoms to form distorted PbO7 hexagonal pyramids that share a cornercorner with one PbO7 hexagonal pyramid, edges with two equivalent PbO8 hexagonal bipyramids, an edgeedge with one PbO7 hexagonal pyramid, and edges with six NbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.23–2.83 Å. In the second Pb2+ site, Pb2+ is bonded to eight O2- atoms to form PbO8 hexagonal bipyramids that share edges with two equivalent PbO8 hexagonal bipyramids, edges with four equivalent PbO7 hexagonal pyramids, and edges with six NbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.50–2.73 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Nb5+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded to four Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Nb5+ and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Nb5+ and two equivalent Pb2+ atoms.
DOI: 10.17188/1674905
title: Materials Data on KHCO3 by Materials Project

description: KHCO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.05 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to four equivalent K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one C4+, and one H1+ atom.
DOI: 10.17188/1674906
title: Materials Data on LiMg2Cu by Materials Project

description: LiMg2Cu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiMg2Cu ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Mg atoms. Both Li–Mg bond lengths are 2.92 Å. Mg is bonded in a linear geometry to one Li and one Cu atom. The Mg–Cu bond length is 2.59 Å. Cu is bonded in a linear geometry to two equivalent Mg atoms.
DOI: 10.17188/1674907
title: Materials Data on K2PdBr6 by Materials Project

description: K2PdBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, and faces with four equivalent PdBr6 octahedra. All K–Br bond lengths are 3.74 Å. Pd4+ is bonded to six equivalent Br1- atoms to form PdBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Pd–Br bond lengths are 2.51 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Pd4+ atom.
DOI: 10.17188/1674908
title: Materials Data on CaC2O5 by Materials Project

description: CaC2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.60 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ca2+ and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ca2+ atom.
DOI: 10.17188/1674909
title: Materials Data on Zn5(N2O7)2 by Materials Project

description: Zn5O8N2(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four ammonia molecules; four nitric acid molecules; and two Zn5O8 sheets oriented in the (1, 0, 0) direction. In each Zn5O8 sheet, there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.02 Å) and four longer (2.04 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Zn2+ atoms.
DOI: 10.17188/1674910
title: Materials Data on SrSbO3 by Materials Project

description: SrSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent SbO6 octahedra. All Sr–O bond lengths are 2.98 Å. Sb is bonded to six equivalent O atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.10 Å. O is bonded to four equivalent Sr and two equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing OSr4Sb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1674911
title: Materials Data on KZnCl3O by Materials Project

description: KZnOCl3 crystallizes in the orthorhombic P2_12_12_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 3.35 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.37 Å. Zn is bonded in a tetrahedral geometry to one O and three Cl atoms. The Zn–O bond length is 1.98 Å. There are a spread of Zn–Cl bond distances ranging from 2.25–2.33 Å. O is bonded in a single-bond geometry to one K and one Zn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom. In the third Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom.
DOI: 10.17188/1674912
title: Materials Data on Mg2VO4 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: 10.17188/1674913
title: Materials Data on KFe by Materials Project

description: KFe is delta Molybdenum Boride-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 3-coordinate geometry to seven equivalent Fe atoms. There are a spread of K–Fe bond distances ranging from 3.53–3.85 Å. Fe is bonded in a 9-coordinate geometry to seven equivalent K and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.
DOI: 10.17188/1674914
title: Materials Data on ZnGeRh2 by Materials Project

description: Rh2ZnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ge atoms. All Rh–Zn bond lengths are 2.64 Å. All Rh–Ge bond lengths are 2.64 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.