cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1699312
title: Materials Data on Li2Mn2OF6 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: 10.17188/1699313
title: Materials Data on Li24Ti5Cr7O36 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: 10.17188/1699314
title: Materials Data on Li3V5O14 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: 10.17188/1699315
title: Materials Data on SmSiPd2 by Materials Project

description: SmPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Sm–Pd bond distances ranging from 3.01–3.58 Å. There are a spread of Sm–Si bond distances ranging from 3.04–3.08 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Sm, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.76–3.12 Å. There are a spread of Pd–Si bond distances ranging from 2.51–2.66 Å. Si is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Pd atoms.
DOI: 10.17188/1699316
title: Materials Data on CeAsO5F by Materials Project

description: CeAsO5F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to six O and two equivalent F atoms. There are a spread of Ce–O bond distances ranging from 2.24–2.51 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) Ce–F bond lengths. As is bonded in a tetrahedral geometry to four O atoms. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one As atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ce and one As atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ce and one As atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ce and one As atom. In the fifth O site, O is bonded in a single-bond geometry to one Ce atom. F is bonded in a bent 120 degrees geometry to two equivalent Ce atoms.
DOI: 10.17188/1699317
title: Materials Data on Sr2GdCu2RuO8 by Materials Project

description: RuSr2GdCu2O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with eight equivalent SrO12 cuboctahedra, faces with five equivalent SrO12 cuboctahedra, faces with four equivalent RuO6 octahedra, and faces with four equivalent CuO5 square pyramids. There are a spread of Sr–O bond distances ranging from 2.75–3.06 Å. Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Gd–O bond lengths are 2.44 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with four equivalent RuO6 octahedra, corners with two equivalent CuO5 square pyramids, and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 6°. There is four shorter (1.95 Å) and two longer (1.96 Å) Ru–O bond length. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one RuO6 octahedra, corners with four equivalent CuO5 square pyramids, and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Cu–O bond distances ranging from 1.95–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ru5+, and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OSr4CuRu octahedra. The corner-sharing octahedra tilt angles range from 6–10°. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Ru5+ atoms.
DOI: 10.17188/1699318
title: Materials Data on CrPH12(CO)4 by Materials Project

description: CrO4(CH3)4P is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight cq4 molecules and eight phosphonium, tetramethyl- molecules.
DOI: 10.17188/1699319
title: Materials Data on LiSc2Pd by Materials Project

description: LiSc2Pd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. All Li–Sc bond lengths are 2.89 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms. All Sc–Pd bond lengths are 2.89 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1699320
title: Materials Data on LuZrF7 by Materials Project

description: LuZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.13–2.32 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.03–2.06 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Lu3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Lu3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Lu3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Lu3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Lu3+ and one Zr4+ atom.
DOI: 10.17188/1699322
title: Materials Data on Mn3(SeN)2 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: 10.17188/1699323
title: Materials Data on LuMnIn by Materials Project

description: LuMnIn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Lu is bonded to six equivalent Mn and six equivalent In atoms to form a mixture of distorted face and edge-sharing LuMn6In6 cuboctahedra. All Lu–Mn bond lengths are 3.22 Å. All Lu–In bond lengths are 3.22 Å. Mn is bonded in a 3-coordinate geometry to six equivalent Lu and three equivalent In atoms. All Mn–In bond lengths are 2.74 Å. In is bonded in a 3-coordinate geometry to six equivalent Lu and three equivalent Mn atoms.
DOI: 10.17188/1699324
title: Materials Data on Cr2CoSeS3 by Materials Project

description: Cr2CoSeS3 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to one Se2- and five S2- atoms to form CrSeS5 octahedra that share corners with six CoSe2S2 tetrahedra and edges with six CrSeS5 octahedra. The Cr–Se bond length is 2.52 Å. There are one shorter (2.38 Å) and four longer (2.40 Å) Cr–S bond lengths. In the second Cr3+ site, Cr3+ is bonded to two equivalent Se2- and four S2- atoms to form CrSe2S4 octahedra that share corners with six CoSe2S2 tetrahedra and edges with six CrSeS5 octahedra. Both Cr–Se bond lengths are 2.53 Å. There are a spread of Cr–S bond distances ranging from 2.37–2.41 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form CoSe2S2 tetrahedra that share corners with twelve CrSeS5 octahedra. The corner-sharing octahedra tilt angles range from 53–65°. Both Co–Se bond lengths are 2.30 Å. Both Co–S bond lengths are 2.17 Å. In the second Co2+ site, Co2+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with twelve CrSeS5 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are two shorter (2.21 Å) and two longer (2.23 Å) Co–S bond lengths. Se2- is bonded in a rectangular see-saw-like geometry to three Cr3+ and one Co2+ atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Cr3+ and one Co2+ atom to form a mixture of distorted corner and edge-sharing SCr3Co tetrahedra. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Cr3+ and one Co2+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Cr3+ and one Co2+ atom.
DOI: 10.17188/1699325
title: Materials Data on Cs2LiSbI6 by Materials Project

description: Cs2LiSbI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent LiI6 octahedra, and faces with four equivalent SbI6 octahedra. All Cs–I bond lengths are 4.28 Å. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 3.02 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent LiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.04 Å. I1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Li1+, and one Sb3+ atom.
DOI: 10.17188/1699328
title: Materials Data on CaNdAl3O7 by Materials Project

description: CaNdAl3O7 crystallizes in the orthorhombic Cmm2 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 2.44–2.95 Å. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.85 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.75 Å) and three longer (1.77 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. All Al–O bond lengths are 1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Al3+ atoms to form distorted OCa2Al2 tetrahedra that share corners with four OCaNd2Al tetrahedra and edges with two equivalent OCa2NdAl tetrahedra. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing ONd2Al2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Nd3+, and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Nd3+, and two Al3+ atoms. In the fifth O2- site, O2- is bonded to one Ca2+, two equivalent Nd3+, and one Al3+ atom to form distorted OCaNd2Al tetrahedra that share corners with six OCa2Al2 tetrahedra and edges with two ONd2Al2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Ca2+, one Nd3+, and one Al3+ atom to form a mixture of distorted corner and edge-sharing OCa2NdAl tetrahedra.
DOI: 10.17188/1699329
title: Materials Data on Ba(As3Ru)4 by Materials Project

description: Ba(RuAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent As+1.67- atoms to form BaAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ba–As bond lengths are 3.33 Å. Ru+4.50+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent BaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Ru–As bond lengths are 2.49 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ba2+, two equivalent Ru+4.50+, and two equivalent As+1.67- atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) As–As bond lengths.
DOI: 10.17188/1699330
title: Materials Data on CaMnO2 by Materials Project

description: CaMnO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra, edges with four equivalent CaO6 octahedra, and edges with eight equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.34 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OCa2Mn4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Mn2+ atoms to form OCa4Mn2 octahedra that share corners with six equivalent OCa4Mn2 octahedra and edges with twelve OCa2Mn4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1699331
title: Materials Data on Na3Mn by Materials Project

description: Na3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Mn atoms to form distorted NaNa8Mn4 cuboctahedra that share corners with twelve equivalent NaNa8Mn4 cuboctahedra, edges with eight equivalent NaNa8Mn4 cuboctahedra, edges with eight equivalent MnNa12 cuboctahedra, faces with four equivalent MnNa12 cuboctahedra, and faces with ten equivalent NaNa8Mn4 cuboctahedra. There are four shorter (3.37 Å) and four longer (3.50 Å) Na–Na bond lengths. All Na–Mn bond lengths are 3.50 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent Mn atoms. All Na–Mn bond lengths are 3.37 Å. Mn is bonded to twelve Na atoms to form MnNa12 cuboctahedra that share corners with four equivalent MnNa12 cuboctahedra, edges with eight equivalent MnNa12 cuboctahedra, edges with sixteen equivalent NaNa8Mn4 cuboctahedra, faces with four equivalent MnNa12 cuboctahedra, and faces with eight equivalent NaNa8Mn4 cuboctahedra.
DOI: 10.17188/1699332
title: Materials Data on MoWSe4 by Materials Project

description: WSe2MoSe2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.
DOI: 10.17188/1699333
title: Materials Data on BaNiC4Br by Materials Project

description: BaNiC4Br crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Br1- atoms. All Ba–Br bond lengths are 3.53 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent C+0.50- and two equivalent Br1- atoms to form corner-sharing NiC4Br2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–C bond lengths are 1.88 Å. Both Ni–Br bond lengths are 2.53 Å. In the second Ni1+ site, Ni1+ is bonded to four equivalent C+0.50- and two equivalent Br1- atoms to form corner-sharing NiC4Br2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–C bond lengths are 1.88 Å. Both Ni–Br bond lengths are 2.49 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a distorted linear geometry to one Ni1+ and one C+0.50- atom. The C–C bond length is 1.25 Å. In the second C+0.50- site, C+0.50- is bonded in a distorted linear geometry to one Ni1+ and one C+0.50- atom. Br1- is bonded to four equivalent Ba2+ and two Ni1+ atoms to form a mixture of distorted edge and corner-sharing BrBa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1699334
title: Materials Data on CsVP2O7 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: 10.17188/1699335
title: Materials Data on MgSn by Materials Project

description: MgSn is alpha-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Sn atoms. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Mg atoms.
DOI: 10.17188/1699337
title: Materials Data on AlNCl4 by Materials Project

description: (AlCl4)2N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.16 Å) Al–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.
DOI: 10.17188/1699338
title: Materials Data on UNbO5 by Materials Project

description: UNbO5 crystallizes in the orthorhombic P222_1 space group. The structure is three-dimensional. U5+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are a spread of U–O bond distances ranging from 2.07–2.44 Å. Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 0–33°. There are a spread of Nb–O bond distances ranging from 1.79–2.34 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U5+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1699339
title: Materials Data on Lu6GaNi2 by Materials Project

description: Lu6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.70 Å) and one longer (3.09 Å) Lu–Ni bond lengths. There are one shorter (2.95 Å) and one longer (3.16 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.67 Å) and two longer (2.82 Å) Lu–Ni bond lengths. The Lu–Ga bond length is 3.21 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.84 Å) and one longer (3.07 Å) Lu–Ni bond lengths. There are one shorter (3.10 Å) and one longer (3.55 Å) Lu–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.74 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Lu atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Lu atoms.
DOI: 10.17188/1699340
title: Materials Data on LaPm3 by Materials Project

description: Pm3La is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent La atoms to form PmLa4Pm8 cuboctahedra that share corners with twelve equivalent PmLa4Pm8 cuboctahedra, edges with eight equivalent LaPm12 cuboctahedra, edges with sixteen PmLa4Pm8 cuboctahedra, faces with four equivalent LaPm12 cuboctahedra, and faces with fourteen PmLa4Pm8 cuboctahedra. All Pm–Pm bond lengths are 3.69 Å. All Pm–La bond lengths are 3.69 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent La atoms to form PmLa4Pm8 cuboctahedra that share corners with four equivalent PmLa4Pm8 cuboctahedra, corners with eight equivalent LaPm12 cuboctahedra, edges with twenty-four PmLa4Pm8 cuboctahedra, faces with six equivalent LaPm12 cuboctahedra, and faces with twelve PmLa4Pm8 cuboctahedra. All Pm–La bond lengths are 3.69 Å. La is bonded to twelve Pm atoms to form LaPm12 cuboctahedra that share corners with four equivalent LaPm12 cuboctahedra, corners with eight equivalent PmLa4Pm8 cuboctahedra, edges with eight equivalent LaPm12 cuboctahedra, edges with sixteen equivalent PmLa4Pm8 cuboctahedra, faces with four equivalent LaPm12 cuboctahedra, and faces with fourteen PmLa4Pm8 cuboctahedra.