cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1689289
title: Materials Data on TaTl(PO4)2 by Materials Project

description: TaTl(PO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent PO4 tetrahedra and faces with two equivalent TlO12 cuboctahedra. All Ta–O bond lengths are 1.97 Å. Tl1+ is bonded to twelve O2- atoms to form TlO12 cuboctahedra that share edges with six equivalent TlO12 cuboctahedra, edges with six equivalent PO4 tetrahedra, and faces with two equivalent TaO6 octahedra. There are six shorter (3.14 Å) and six longer (3.34 Å) Tl–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent TaO6 octahedra and edges with three equivalent TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 13°. There is one shorter (1.49 Å) and three longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Ta5+, one Tl1+, and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Tl1+ and one P5+ atom.
DOI: 10.17188/1689290
title: Materials Data on AuCl4O3 by Materials Project

description: (AuCl4)2(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and four AuCl4 clusters. In each AuCl4 cluster, Au is bonded in a rectangular see-saw-like geometry to four Cl atoms. There are a spread of Au–Cl bond distances ranging from 2.29–2.33 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Au atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Au atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Au atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Au atom.
DOI: 10.17188/1689291
title: Materials Data on Na2V3O7 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: 10.17188/1689293
title: Materials Data on Li3AsF6 by Materials Project

description: Li3AsF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.76 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.92 Å) Li–F bond length. In the third Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.97 Å) and two longer (2.00 Å) Li–F bond length. As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 2.07–2.10 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a T-shaped geometry to two Li1+ and one As3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one As3+ atom. In the third F1- site, F1- is bonded in a T-shaped geometry to two Li1+ and one As3+ atom.
DOI: 10.17188/1689294
title: Materials Data on Er3Pt by Materials Project

description: Er3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.84–3.33 Å. In the second Er site, Er is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.79 Å) and one longer (2.87 Å) Er–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Er atoms.
DOI: 10.17188/1689296
title: Materials Data on Cs3EuF6 by Materials Project

description: Cs3EuF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.94 Å) and four longer (3.64 Å) Cs–F bond lengths. In the second Cs1+ site, Cs1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Cs–F bond lengths are 2.82 Å. Eu3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.32 Å) Eu–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and one Eu3+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to five Cs1+ and one Eu3+ atom.
DOI: 10.17188/1689297
title: Materials Data on YGa3Cu by Materials Project

description: YCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Y–Cu bond lengths are 3.38 Å. There are eight shorter (3.14 Å) and four longer (3.38 Å) Y–Ga bond lengths. Cu is bonded to four equivalent Y and eight Ga atoms to form distorted CuY4Ga8 cuboctahedra that share corners with four equivalent GaY4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuY4Ga8 cuboctahedra, edges with two equivalent GaY4Ga4Cu4 cuboctahedra, faces with four equivalent CuY4Ga8 cuboctahedra, and faces with four equivalent GaY4Ga4Cu4 cuboctahedra. There are four shorter (2.52 Å) and four longer (2.89 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Cu, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.52 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Y, four equivalent Cu, and four equivalent Ga atoms to form GaY4Ga4Cu4 cuboctahedra that share corners with four equivalent CuY4Ga8 cuboctahedra, corners with twelve equivalent GaY4Ga4Cu4 cuboctahedra, edges with two equivalent CuY4Ga8 cuboctahedra, faces with four equivalent CuY4Ga8 cuboctahedra, and faces with four equivalent GaY4Ga4Cu4 cuboctahedra.
DOI: 10.17188/1689300
title: Materials Data on Dy5CuPb3 by Materials Project

description: Dy5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to two equivalent Cu and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing DyCu2Pb5 pentagonal bipyramids. Both Dy–Cu bond lengths are 2.90 Å. There are a spread of Dy–Pb bond distances ranging from 3.14–3.52 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Dy–Pb bond lengths are 3.31 Å. Cu is bonded to six equivalent Dy atoms to form face-sharing CuDy6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1689301
title: Materials Data on Sb2S4O15 by Materials Project

description: Sb2S4O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.07–2.76 Å. In the second Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.08–2.82 Å. There are four inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.67 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.55 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.64 Å. In the fourth S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sb3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Sb3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Sb3+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Sb3+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Sb3+ and one S6+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Sb3+ and one S6+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.
DOI: 10.17188/1689302
title: Materials Data on LiFePCO7 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: 10.17188/1689303
title: Materials Data on K2HgTe by Materials Project

description: K2HgTe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two K2HgTe ribbons oriented in the (0, 1, 0) direction. K is bonded in a linear geometry to one Hg and one Te atom. The K–Hg bond length is 3.89 Å. The K–Te bond length is 3.06 Å. Hg is bonded in a linear geometry to two equivalent K atoms. Te is bonded in a linear geometry to two equivalent K atoms.
DOI: 10.17188/1689304
title: Materials Data on Cr2PBrO4 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: 10.17188/1689305
title: Materials Data on ScGeRh by Materials Project

description: ScRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Sc–Rh bond distances ranging from 2.90–3.17 Å. There are four shorter (2.88 Å) and one longer (2.89 Å) Sc–Ge bond lengths. Rh is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.55 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Rh atoms.
DOI: 10.17188/1689308
title: Materials Data on Tm8In3Co by Materials Project

description: Tm8CoIn3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.82 Å. There are two shorter (3.24 Å) and two longer (3.75 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 4-coordinate geometry to one Co and four equivalent In atoms. The Tm–Co bond length is 2.79 Å. There are a spread of Tm–In bond distances ranging from 3.05–3.73 Å. In the third Tm site, Tm is bonded to one Co and three equivalent In atoms to form distorted corner-sharing TmIn3Co tetrahedra. The corner-sharing octahedra tilt angles range from 14–48°. The Tm–Co bond length is 2.67 Å. All Tm–In bond lengths are 3.18 Å. In the fourth Tm site, Tm is bonded to six equivalent In atoms to form distorted TmIn6 octahedra that share corners with six equivalent TmIn3Co tetrahedra and faces with two equivalent TmIn6 octahedra. There are three shorter (3.34 Å) and three longer (3.40 Å) Tm–In bond lengths. Co is bonded in a 7-coordinate geometry to seven Tm atoms. In is bonded in a 11-coordinate geometry to eleven Tm atoms.
DOI: 10.17188/1689310
title: Materials Data on Ce2Cd(SeO)2 by Materials Project

description: Ce2Cd(SeO)2 is Bixbyite (Mn,Fe)2O4-derived structured and crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ce–Se bond lengths are 3.27 Å. There are two shorter (2.34 Å) and two longer (2.35 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ce–Se bond lengths are 3.27 Å. There are two shorter (2.34 Å) and two longer (2.35 Å) Ce–O bond lengths. In the third Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ce–Se bond lengths are 3.27 Å. There are two shorter (2.34 Å) and two longer (2.35 Å) Ce–O bond lengths. Cd2+ is bonded to four equivalent Se2- atoms to form distorted corner-sharing CdSe4 tetrahedra. All Cd–Se bond lengths are 2.71 Å. Se2- is bonded in a 2-coordinate geometry to four equivalent Ce3+ and two equivalent Cd2+ atoms. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
DOI: 10.17188/1689312
title: Materials Data on Li2Ni3SbO8 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: 10.17188/1689314
title: Materials Data on Sr4Mn2Cu3(SO)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: 10.17188/1689315
title: Materials Data on CoH4(NO4)2 by Materials Project

description: CoH4(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CoH4(NO4)2 sheet oriented in the (1, 0, 0) direction. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.09–2.14 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms.
DOI: 10.17188/1689316
title: Materials Data on ZrTiCr4 by Materials Project

description: ZrTiCr4 is Hexagonal Laves-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to three equivalent Zr, one Ti, and twelve Cr atoms. All Zr–Zr bond lengths are 3.07 Å. The Zr–Ti bond length is 3.01 Å. There are three shorter (2.93 Å) and nine longer (2.94 Å) Zr–Cr bond lengths. Ti is bonded in a 10-coordinate geometry to one Zr, three equivalent Ti, and twelve Cr atoms. All Ti–Ti bond lengths are 3.02 Å. There are a spread of Ti–Cr bond distances ranging from 2.75–2.92 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Ti and six equivalent Cr atoms to form CrTi6Cr6 cuboctahedra that share corners with twelve equivalent CrZr3Ti3Cr6 cuboctahedra, edges with six equivalent CrTi6Cr6 cuboctahedra, and faces with twenty CrZr6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.41 Å. In the second Cr site, Cr is bonded to six equivalent Zr and six equivalent Cr atoms to form CrZr6Cr6 cuboctahedra that share corners with twelve equivalent CrZr3Ti3Cr6 cuboctahedra, edges with six equivalent CrZr6Cr6 cuboctahedra, and faces with twenty CrTi6Cr6 cuboctahedra. All Cr–Cr bond lengths are 2.53 Å. In the third Cr site, Cr is bonded to three equivalent Zr, three equivalent Ti, and six Cr atoms to form CrZr3Ti3Cr6 cuboctahedra that share corners with eighteen CrTi6Cr6 cuboctahedra, edges with six equivalent CrZr3Ti3Cr6 cuboctahedra, and faces with eighteen CrTi6Cr6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.54 Å) Cr–Cr bond lengths.
DOI: 10.17188/1689317
title: Materials Data on H6Pd(NO)4 by Materials Project

description: PdH6(NO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdH6(NO)4 cluster. Pd2+ is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.03 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.
DOI: 10.17188/1689318
title: Materials Data on Sc2Fe3Ru by Materials Project

description: Sc2RuFe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to three equivalent Ru and nine equivalent Fe atoms. All Sc–Ru bond lengths are 2.90 Å. There are six shorter (2.92 Å) and three longer (2.96 Å) Sc–Fe bond lengths. Ru is bonded to six equivalent Sc and six equivalent Fe atoms to form RuSc6Fe6 cuboctahedra that share corners with twelve equivalent FeSc6Fe4Ru2 cuboctahedra, edges with six equivalent RuSc6Fe6 cuboctahedra, faces with two equivalent RuSc6Fe6 cuboctahedra, and faces with eighteen equivalent FeSc6Fe4Ru2 cuboctahedra. All Ru–Fe bond lengths are 2.55 Å. Fe is bonded to six equivalent Sc, two equivalent Ru, and four equivalent Fe atoms to form distorted FeSc6Fe4Ru2 cuboctahedra that share corners with four equivalent RuSc6Fe6 cuboctahedra, corners with fourteen equivalent FeSc6Fe4Ru2 cuboctahedra, edges with six equivalent FeSc6Fe4Ru2 cuboctahedra, faces with six equivalent RuSc6Fe6 cuboctahedra, and faces with twelve equivalent FeSc6Fe4Ru2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.55 Å) Fe–Fe bond lengths.
DOI: 10.17188/1689320
title: Materials Data on K by Materials Project

description: K crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to twelve equivalent K atoms to form a mixture of face and edge-sharing KK12 cuboctahedra. All K–K bond lengths are 4.68 Å. In the second K site, K is bonded in a 6-coordinate geometry to six K atoms. Both K–K bond lengths are 4.18 Å.
DOI: 10.17188/1689321
title: Materials Data on HfTiN2 by Materials Project

description: HfTiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent TiN6 octahedra, edges with six equivalent HfN6 octahedra, and edges with six equivalent TiN6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Hf–N bond lengths are 2.22 Å. Ti2+ is bonded to six equivalent N3- atoms to form TiN6 octahedra that share corners with six equivalent HfN6 octahedra, edges with six equivalent HfN6 octahedra, and edges with six equivalent TiN6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ti–N bond lengths are 2.18 Å. N3- is bonded to three equivalent Hf4+ and three equivalent Ti2+ atoms to form a mixture of edge and corner-sharing NHf3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1689322
title: Materials Data on CaMo2O5 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: 10.17188/1689323
title: Materials Data on La2IrRh by Materials Project

description: La2IrRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two La2IrRh ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to one Ir and one Rh atom. The La–Ir bond length is 2.45 Å. The La–Rh bond length is 2.42 Å. Ir is bonded in a linear geometry to two equivalent La atoms. Rh is bonded in a linear geometry to two equivalent La atoms.
DOI: 10.17188/1689324
title: Materials Data on Ce3(MgRh2)2 by Materials Project

description: Ce3(MgRh2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to five Rh atoms to form a mixture of distorted face and corner-sharing MgRh5 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.62–3.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.28 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.13 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Mg, six Ce, and one Rh atom. The Rh–Rh bond length is 3.01 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to four equivalent Mg, three Ce, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.87 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Mg, six Ce, and four Rh atoms.