cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1678528
title: Materials Data on LiMnFeO4 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: 10.17188/1678529
title: Materials Data on PdPb by Materials Project

description: PdPb crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.89–3.10 Å. There are a spread of Pd–Pb bond distances ranging from 2.90–3.16 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.09 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.16 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.11 Å. There are a spread of Pd–Pb bond distances ranging from 2.85–3.34 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are one shorter (2.86 Å) and one longer (2.89 Å) Pd–Pd bond lengths. There are a spread of Pd–Pb bond distances ranging from 2.88–3.33 Å. In the fifth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 2.88 Å. There are a spread of Pd–Pb bond distances ranging from 2.87–3.34 Å. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 3.09 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.14 Å. In the seventh Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pb bond distances ranging from 2.85–3.37 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 2.94 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.14 Å. There are eight inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the fourth Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the fifth Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the sixth Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the seventh Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the eighth Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms.
DOI: 10.17188/1678530
title: Materials Data on Ho(CuS)3 by Materials Project

description: Ho(CuS)3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ho(CuS)3 sheet oriented in the (0, 0, 1) direction. Ho3+ is bonded to six S2- atoms to form HoS6 octahedra that share corners with nine CuS4 tetrahedra, edges with six equivalent HoS6 octahedra, and edges with six CuS4 tetrahedra. There are three shorter (2.72 Å) and three longer (2.84 Å) Ho–S bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with six equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–52°. There are three shorter (2.34 Å) and one longer (2.48 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.25 Å. In the third Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, and edges with three equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are one shorter (2.27 Å) and three longer (2.43 Å) Cu–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ho3+ and four equivalent Cu1+ atoms to form distorted SHo3Cu4 pentagonal bipyramids that share corners with three equivalent SHo3Cu3 octahedra, edges with three equivalent SHo3Cu3 octahedra, and edges with nine equivalent SHo3Cu4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the second S2- site, S2- is bonded to three equivalent Ho3+ and three equivalent Cu1+ atoms to form distorted SHo3Cu3 octahedra that share corners with three equivalent SHo3Cu4 pentagonal bipyramids, corners with three equivalent SCu4 trigonal pyramids, edges with six equivalent SHo3Cu3 octahedra, and edges with three equivalent SHo3Cu4 pentagonal bipyramids. In the third S2- site, S2- is bonded to four Cu1+ atoms to form SCu4 trigonal pyramids that share corners with three equivalent SHo3Cu3 octahedra and corners with six equivalent SCu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 68°.
DOI: 10.17188/1678531
title: Materials Data on Cs3MnF7 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: 10.17188/1678532
title: Materials Data on TeC4Se4(N4Cl)2 by Materials Project

description: C2Te(N2Se)2(CN2SeCl)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two CN2SeCl clusters and one C2Te(N2Se)2 ribbon oriented in the (1, 0, 0) direction. In each CN2SeCl cluster, C4+ is bonded in a trigonal planar geometry to two N+1.25- and one Cl1- atom. There is one shorter (1.34 Å) and one longer (1.36 Å) C–N bond length. The C–Cl bond length is 1.70 Å. There are two inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a 2-coordinate geometry to one C4+ and one Se2- atom. The N–Se bond length is 1.89 Å. In the second N+1.25- site, N+1.25- is bonded in a distorted L-shaped geometry to one C4+ and one Se2- atom. The N–Se bond length is 1.94 Å. Se2- is bonded in a 4-coordinate geometry to two N+1.25- atoms. Cl1- is bonded in a single-bond geometry to one C4+ atom. In the C2Te(N2Se)2 ribbon, C4+ is bonded in a linear geometry to two N+1.25- atoms. There is one shorter (1.20 Å) and one longer (1.28 Å) C–N bond length. There are two inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a 2-coordinate geometry to one C4+, one Te4+, and one Se2- atom. The N–Te bond length is 2.09 Å. The N–Se bond length is 2.67 Å. In the second N+1.25- site, N+1.25- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a distorted linear geometry to two equivalent N+1.25- and two equivalent Se2- atoms. Both Te–Se bond lengths are 2.75 Å. Se2- is bonded in a 3-coordinate geometry to one N+1.25-, one Te4+, and one Se2- atom. The Se–Se bond length is 2.33 Å.
DOI: 10.17188/1678533
title: Materials Data on Tl4GeSe4 by Materials Project

description: Tl4GeSe4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.13–3.71 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.08–4.01 Å. In the third Tl1+ site, Tl1+ is bonded to five Se2- atoms to form distorted TlSe5 square pyramids that share corners with two equivalent TlSe5 square pyramids, corners with three equivalent GeSe4 tetrahedra, and an edgeedge with one GeSe4 tetrahedra. There are a spread of Tl–Se bond distances ranging from 3.18–3.44 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.23–3.77 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are two shorter (3.08 Å) and two longer (3.34 Å) Tl–Se bond lengths. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with three equivalent TlSe5 square pyramids and an edgeedge with one TlSe5 square pyramid. There are a spread of Ge–Se bond distances ranging from 2.39–2.42 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Tl1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SeTl5Ge octahedra. The corner-sharing octahedra tilt angles range from 0–22°. In the second Se2- site, Se2- is bonded to five Tl1+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing SeTl5Ge octahedra. The corner-sharing octahedra tilt angles range from 0–22°. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to six Tl1+ and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to six Tl1+ and one Ge4+ atom.
DOI: 10.17188/1678534
title: Materials Data on TiBi6(PO8)2 by Materials Project

description: Bi6TiP2O16 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.87–2.16 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.89 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–3.07 Å. In the third Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.32 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–26°. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to three Bi3+ and one P5+ atom. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Bi3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+, one Bi3+, and one P5+ atom. In the ninth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra.
DOI: 10.17188/1678535
title: Materials Data on Mn2Cd3O5 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: 10.17188/1678536
title: Materials Data on InAu(I4N)2 by Materials Project

description: AuI4InI4N2 is Modderite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four InI4 clusters. In each AuI4 cluster, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each InI4 cluster, In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.71–2.83 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.
DOI: 10.17188/1678537
title: Materials Data on Hg(C2F3)2 by Materials Project

description: Hg(CF)2(CF2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two difluoromethane molecules and one Hg(CF)2 cluster. In the Hg(CF)2 cluster, Hg2+ is bonded in a distorted linear geometry to two equivalent C1+ atoms. Both Hg–C bond lengths are 2.09 Å. C1+ is bonded in a distorted single-bond geometry to one Hg2+ and one F1- atom. The C–F bond length is 1.38 Å. F1- is bonded in a single-bond geometry to one C1+ atom.
DOI: 10.17188/1678538
title: Materials Data on Ba4Cu3MoO12 by Materials Project

description: Ba4MoCu3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with two equivalent MoO6 octahedra, and faces with six equivalent CuO6 octahedra. All Ba–O bond lengths are 2.87 Å. Mo is bonded to six equivalent O atoms to form MoO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.95 Å. Cu is bonded to six O atoms to form CuO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with four equivalent CuO6 octahedra, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.03 Å) and two longer (2.11 Å) Cu–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ba and two equivalent Cu atoms to form distorted OBa4Cu2 octahedra that share corners with twenty-two OBa4Cu2 octahedra, edges with four equivalent OBa4CuMo octahedra, and faces with eight OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to four equivalent Ba, one Mo, and one Cu atom to form a mixture of distorted edge, face, and corner-sharing OBa4CuMo octahedra. The corner-sharing octahedra tilt angles range from 0–61°.
DOI: 10.17188/1678540
title: Materials Data on CoO 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: 10.17188/1678542
title: Materials Data on Rb2CeAgI6 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: 10.17188/1678544
title: Materials Data on MgHg2 by Materials Project

description: MgHg2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgHg2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Hg atoms. There are a spread of Mg–Hg bond distances ranging from 2.93–3.15 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Mg atoms. In the second Hg site, Hg is bonded in a 9-coordinate geometry to four equivalent Mg atoms.
DOI: 10.17188/1678545
title: Materials Data on NiSn3(ClO)6 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: 10.17188/1678546
title: Materials Data on Ta2TiO6 by Materials Project

description: TiTa2O6 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with eight TaO6 octahedra, an edgeedge with one TiO6 octahedra, and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–52°. There are a spread of Ti–O bond distances ranging from 1.97–2.16 Å. There are three inequivalent Ta4+ sites. In the first Ta4+ site, Ta4+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with three equivalent TaO6 octahedra, corners with five equivalent TiO6 octahedra, and edges with two TaO6 octahedra. The corner-sharing octahedra tilt angles range from 39–50°. There are a spread of Ta–O bond distances ranging from 1.98–2.12 Å. In the second Ta4+ site, Ta4+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with six equivalent TiO6 octahedra, and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are two shorter (2.02 Å) and four longer (2.11 Å) Ta–O bond lengths. In the third Ta4+ site, Ta4+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with eight TaO6 octahedra and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of Ta–O bond distances ranging from 2.00–2.06 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Ta4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ti4+ and one Ta4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Ta4+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Ti4+ and two Ta4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Ta4+ atoms.
DOI: 10.17188/1678547
title: Materials Data on Eu2MgIn by Materials Project

description: MgEu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Mg–Eu bond lengths are 3.49 Å. Eu is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent In atoms. All Eu–In bond lengths are 3.49 Å. In is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1678548
title: Materials Data on NaCoPH10CO10 by Materials Project

description: NaCoCPH10O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share an edgeedge with one NaO6 octahedra and an edgeedge with one CoO6 octahedra. There are a spread of Na–O bond distances ranging from 2.33–2.60 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share an edgeedge with one NaO6 octahedra. There are a spread of Co–O bond distances ranging from 2.08–2.20 Å. C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.54 Å. There are ten 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.75 Å) H–O bond length. In the sixth 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 seventh 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 eighth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one P5+, and one H1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one P5+, and one H1+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, one Co2+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Na1+, one Co2+, and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms.
DOI: 10.17188/1678549
title: Materials Data on Ce2Ge3Pd by Materials Project

description: Ce2PdGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Pd and ten Ge atoms to form a mixture of edge and face-sharing CeGe10Pd2 cuboctahedra. Both Ce–Pd bond lengths are 3.17 Å. There are a spread of Ce–Ge bond distances ranging from 3.17–3.25 Å. In the second Ce site, Ce is bonded to four equivalent Pd and eight Ge atoms to form a mixture of edge and face-sharing CeGe8Pd4 cuboctahedra. All Ce–Pd bond lengths are 3.25 Å. There are four shorter (3.17 Å) and four longer (3.23 Å) Ce–Ge bond lengths. Pd is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.47 Å) and two longer (2.49 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Ce, two equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Pd, and two equivalent Ge atoms.