cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317153
title: Materials Data on CuO2F by Materials Project

description: CuO2F crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two CuO2F sheets oriented in the (0, 1, 0) direction. Cu is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Cu–O bond lengths are 1.87 Å. Both Cu–F bond lengths are 1.93 Å. O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.31 Å. F is bonded in a bent 120 degrees geometry to two equivalent Cu atoms.
DOI: 10.17188/1317154
title: Materials Data on CdAuO2 by Materials Project

description: AuCdO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Cd2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Au2+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd2Au2 trigonal pyramids. In the second O2- site, O2- is bonded to one Au2+ and three equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing OCd3Au trigonal pyramids.
DOI: 10.17188/1317155
title: Materials Data on CdAuO2 by Materials Project

description: AuCdO2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.10 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.06 Å. Cd2+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two shorter (2.30 Å) and four longer (2.41 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Au2+ and four equivalent Cd2+ atoms. In the second O2- site, O2- is bonded to two equivalent Au2+ and two equivalent Cd2+ atoms to form a mixture of edge and corner-sharing OCd2Au2 tetrahedra.
DOI: 10.17188/1317156
title: Materials Data on AgPdO2 by Materials Project

description: PdAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to six O2- atoms to form edge-sharing PdO6 octahedra. There are four shorter (2.05 Å) and two longer (2.06 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted linear geometry to six O2- atoms. There are two shorter (2.20 Å) and four longer (2.79 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Pd2+ and two equivalent Ag2+ atoms. In the second O2- site, O2- is bonded to two equivalent Pd2+ and two Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pd2 tetrahedra.
DOI: 10.17188/1317157
title: Materials Data on AgPdO2 by Materials Project

description: PdAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.03 Å. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.21 Å. O2- is bonded to two equivalent Pd2+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pd2 tetrahedra.
DOI: 10.17188/1317158
title: Materials Data on AuBrO2 by Materials Project

description: AuBrO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and two AuBr ribbons oriented in the (1, 0, 1) direction. In each AuBr ribbon, Au5+ is bonded in a linear geometry to two equivalent Br1- atoms. Both Au–Br bond lengths are 2.51 Å. Br1- is bonded in a 4-coordinate geometry to two equivalent Au5+ atoms.
DOI: 10.17188/1317159
title: Materials Data on NaCuO2 by Materials Project

description: NaCuO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.37 Å) and four longer (2.51 Å) Na–O bond lengths. Cu3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent Na1+ and two equivalent Cu3+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa3Cu2 trigonal bipyramids.
DOI: 10.17188/1317160
title: Materials Data on TlCuO2 by Materials Project

description: CuTlO2 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one CuTlO2 sheet oriented in the (1, 0, 0) direction. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.86 Å. Tl3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Tl–O bond lengths are 2.65 Å. O2- is bonded in a 2-coordinate geometry to two equivalent Cu1+ and two equivalent Tl3+ atoms.
DOI: 10.17188/1317161
title: Materials Data on PbAuO2 by Materials Project

description: AuPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.04 Å) Au–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.23 Å) and four longer (2.34 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra.
DOI: 10.17188/1317162
title: Materials Data on CuO2F by Materials Project

description: CuO2F crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cu is bonded to three O and three equivalent F atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (1.95 Å) and two longer (2.07 Å) Cu–O bond lengths. There are one shorter (2.00 Å) and two longer (2.11 Å) Cu–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.31 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. F is bonded in a distorted trigonal planar geometry to three equivalent Cu atoms.
DOI: 10.17188/1317163
title: Materials Data on AuClO2 by Materials Project

description: AuClO2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and two AuCl ribbons oriented in the (0, 1, 0) direction. In each AuCl ribbon, Au5+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. Both Au–Cl bond lengths are 2.42 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Au5+ atoms.
DOI: 10.17188/1317164
title: Materials Data on AgBrO2 by Materials Project

description: AgBrO2 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one AgBr sheet oriented in the (0, 0, 1) direction. In the AgBr sheet, Ag is bonded in a 5-coordinate geometry to five equivalent Br atoms. There are a spread of Ag–Br bond distances ranging from 2.85–2.88 Å. Br is bonded to five equivalent Ag atoms to form a mixture of distorted corner and edge-sharing BrAg5 square pyramids.
DOI: 10.17188/1317165
title: Materials Data on AgBrO2 by Materials Project

description: AgBrO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and two AgBr ribbons oriented in the (-1, 0, 1) direction. In each AgBr ribbon, Ag is bonded in a linear geometry to two equivalent Br atoms. Both Ag–Br bond lengths are 2.53 Å. Br is bonded in a distorted L-shaped geometry to two equivalent Ag atoms.
DOI: 10.17188/1317166
title: Materials Data on PdAuO2 by Materials Project

description: PdAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent O2- atoms to form edge-sharing PdO6 octahedra. All Pd–O bond lengths are 2.13 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. O2- is bonded to three equivalent Pd2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing OPd3Au tetrahedra.
DOI: 10.17188/1317168
title: Materials Data on CuBiO2 by Materials Project

description: CuBiO2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.84 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Cu1+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Cu1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCuBi3 tetrahedra.
DOI: 10.17188/1317169
title: Materials Data on CuBiO2 by Materials Project

description: CuBiO2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.24 Å) and four longer (2.51 Å) Bi–O bond lengths. O2- is bonded to one Cu1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCuBi3 tetrahedra.
DOI: 10.17188/1317170
title: Materials Data on BiAuO2 by Materials Project

description: AuBiO2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two O2- atoms. Both Au–O bond lengths are 2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.69 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au1+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi3Au tetrahedra. In the second O2- site, O2- is bonded to one Au1+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi3Au tetrahedra.
DOI: 10.17188/1317171
title: Materials Data on RbAgO2 by Materials Project

description: RbAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.02 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.05 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Ag3+ atoms.
DOI: 10.17188/1317172
title: Materials Data on SrAgO2 by Materials Project

description: SrAgO2 is Corundum-derived structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. There are a spread of Sr–O bond distances ranging from 2.47–2.66 Å. Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.29 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ag2+ atoms to form distorted OSr2Ag2 trigonal pyramids that share corners with four equivalent OSr4Ag2 octahedra, corners with four equivalent OSr2Ag2 trigonal pyramids, and edges with four equivalent OSr4Ag2 octahedra. The corner-sharing octahedral tilt angles are 75°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Ag2+ atoms to form OSr4Ag2 octahedra that share corners with six equivalent OSr4Ag2 octahedra, corners with four equivalent OSr2Ag2 trigonal pyramids, edges with four equivalent OSr4Ag2 octahedra, and edges with four equivalent OSr2Ag2 trigonal pyramids. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1317173
title: Materials Data on SrAgO2 by Materials Project

description: SrAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 13–35°. There are a spread of Sr–O bond distances ranging from 2.53–2.61 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.12 Å) and two longer (2.71 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.10 Å) and two longer (2.11 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Ag2+ atoms to form a mixture of distorted corner and edge-sharing OSr4Ag2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two Ag2+ atoms.
DOI: 10.17188/1317175
title: Materials Data on NaAuO2 by Materials Project

description: NaAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form edge-sharing NaO6 octahedra. There are two shorter (2.44 Å) and four longer (2.49 Å) Na–O bond lengths. Au3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Na1+ and two equivalent Au3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Au2 trigonal bipyramids.
DOI: 10.17188/1317176
title: Materials Data on PdAuO2 by Materials Project

description: PdAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. In the second Pd2+ site, Pd2+ is bonded to six O2- atoms to form edge-sharing PdO6 octahedra. There are four shorter (2.06 Å) and two longer (2.13 Å) Pd–O bond lengths. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pd2+ and one Au2+ atom to form a mixture of corner and edge-sharing OPd3Au tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pd2+ and one Au2+ atom.
DOI: 10.17188/1317177
title: Materials Data on AuClO2 by Materials Project

description: AuO2Cl crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two AuO2Cl sheets oriented in the (0, 1, 0) direction. Au5+ is bonded in a rectangular see-saw-like geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Au–O bond lengths are 2.09 Å. Both Au–Cl bond lengths are 2.44 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one O2- atom. The O–O bond length is 1.32 Å. Cl1- is bonded in a distorted water-like geometry to two equivalent Au5+ atoms.
DOI: 10.17188/1317178
title: Materials Data on SrAuO2 by Materials Project

description: SrAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SrO6 octahedra. The corner-sharing octahedra tilt angles range from 19–36°. There are four shorter (2.60 Å) and two longer (2.62 Å) Sr–O bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. In the second Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Au2+ atom. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Sr2+ and two Au2+ atoms.
DOI: 10.17188/1317179
title: Materials Data on NiAuO2 by Materials Project

description: NiAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.02 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.02 Å. O2- is bonded to three equivalent Ni2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing ONi3Au tetrahedra.
DOI: 10.17188/1317180
title: Materials Data on CuPtO2 by Materials Project

description: PtCuO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.04 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded to two equivalent Pt2+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OCu2Pt2 tetrahedra.
DOI: 10.17188/1317181
title: Materials Data on PdAuO2 by Materials Project

description: PdAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent O2- atoms to form edge-sharing PdO6 octahedra. All Pd–O bond lengths are 2.13 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. O2- is bonded to three equivalent Pd2+ and one Au2+ atom to form a mixture of edge and corner-sharing OPd3Au tetrahedra.
DOI: 10.17188/1317182
title: Materials Data on YGe by Materials Project

description: YGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to seven equivalent Ge atoms. There are five shorter (2.98 Å) and two longer (3.23 Å) Y–Ge bond lengths. Ge is bonded in a 5-coordinate geometry to seven equivalent Y and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å.
DOI: 10.17188/1317183
title: Materials Data on SrAgO2 by Materials Project

description: SrAgO2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.66 Å) and four longer (2.81 Å) Sr–O bond lengths. Ag2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.13 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.
DOI: 10.17188/1317184
title: Materials Data on KAgO2 by Materials Project

description: KAgO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to three equivalent K1+ and two equivalent Ag3+ atoms to form a mixture of distorted corner, edge, and face-sharing OK3Ag2 trigonal bipyramids.
DOI: 10.17188/1317185
title: Materials Data on LiCeSn by Materials Project

description: LiCeSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted trigonal planar geometry to five Ce and four Sn atoms. There are a spread of Li–Ce bond distances ranging from 3.18–3.46 Å. There are a spread of Li–Sn bond distances ranging from 2.76–3.33 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Ce and four Sn atoms. There are three shorter (3.23 Å) and three longer (3.55 Å) Li–Ce bond lengths. There are three shorter (2.80 Å) and one longer (3.01 Å) Li–Sn bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Li and six equivalent Sn atoms. There are three shorter (3.26 Å) and three longer (3.42 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.30–3.40 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Ce atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Ce atoms.
DOI: 10.17188/1317186
title: Materials Data on Ce3Cu by Materials Project

description: Ce3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Cu atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cu4 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Cu4 cuboctahedra. All Ce–Ce bond lengths are 3.24 Å. All Ce–Cu bond lengths are 3.24 Å. Cu is bonded to twelve equivalent Ce atoms to form CuCe12 cuboctahedra that share corners with twelve equivalent CuCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Cu4 cuboctahedra, faces with six equivalent CuCe12 cuboctahedra, and faces with twelve equivalent CeCe8Cu4 cuboctahedra.