cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1744764
title: Materials Data on Y2OsPd by Materials Project

description: Y2OsPd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Y2OsPd ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to one Os and one Pd atom. The Y–Os bond length is 2.40 Å. The Y–Pd bond length is 2.65 Å. Os is bonded in a linear geometry to two equivalent Y atoms. Pd is bonded in a linear geometry to two equivalent Y atoms.
DOI: 10.17188/1744766
title: Materials Data on Cr2O5 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: 10.17188/1744768
title: Materials Data on U2SnIr2 by Materials Project

description: U2Ir2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Ir and four equivalent Sn atoms. There are two shorter (2.77 Å) and four longer (2.94 Å) U–Ir bond lengths. All U–Sn bond lengths are 3.36 Å. Ir is bonded in a 6-coordinate geometry to six equivalent U, one Ir, and two equivalent Sn atoms. The Ir–Ir bond length is 2.90 Å. Both Ir–Sn bond lengths are 3.00 Å. Sn is bonded to eight equivalent U and four equivalent Ir atoms to form a mixture of corner and face-sharing SnU8Ir4 cuboctahedra.
DOI: 10.17188/1744769
title: Materials Data on LiCr2O4 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: 10.17188/1744770
title: Materials Data on Ge3Au by Materials Project

description: AuGe3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve Ge atoms to form AuGe12 cuboctahedra that share corners with four equivalent AuGe12 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with sixteen equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with eight equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and eight longer (3.07 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Au and eight Ge atoms to form distorted GeGe8Au4 cuboctahedra that share corners with twelve equivalent GeGe8Au4 cuboctahedra, edges with eight equivalent AuGe12 cuboctahedra, edges with eight equivalent GeGe8Au4 cuboctahedra, faces with four equivalent AuGe12 cuboctahedra, and faces with ten equivalent GeGe8Au4 cuboctahedra. There are four shorter (2.95 Å) and four longer (3.07 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Au and eight equivalent Ge atoms.
DOI: 10.17188/1744771
title: Materials Data on Li2Mn2FeO6 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: 10.17188/1744772
title: Materials Data on Hf2Sb3Pd by Materials Project

description: Hf2PdSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to two equivalent Pd and seven Sb atoms. Both Hf–Pd bond lengths are 2.99 Å. There are a spread of Hf–Sb bond distances ranging from 2.98–3.07 Å. Pd is bonded to four equivalent Hf and four equivalent Sb atoms to form distorted PdHf4Sb4 hexagonal bipyramids that share corners with four equivalent PdHf4Sb4 hexagonal bipyramids, edges with four equivalent SbHf4Pd4 hexagonal bipyramids, and faces with four equivalent PdHf4Sb4 hexagonal bipyramids. All Pd–Sb bond lengths are 2.79 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to five equivalent Hf atoms. In the second Sb site, Sb is bonded to four equivalent Hf and four equivalent Pd atoms to form distorted SbHf4Pd4 hexagonal bipyramids that share corners with four equivalent SbHf4Pd4 hexagonal bipyramids, edges with four equivalent PdHf4Sb4 hexagonal bipyramids, and faces with four equivalent SbHf4Pd4 hexagonal bipyramids.
DOI: 10.17188/1744773
title: Materials Data on ZnH12(NO3)2 by Materials Project

description: ZnNHO3(H2)5HNO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen hydrogen molecules, four molecular hydrogen molecules, four nitric acid molecules, and four ZnNHO3 clusters. In each ZnNHO3 cluster, Zn2+ is bonded in a distorted linear geometry to one H1+ and one O2- atom. The Zn–H bond length is 1.51 Å. The Zn–O bond length is 1.89 Å. N1- is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.37 Å. H1+ is bonded in a single-bond geometry to one Zn2+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N1- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1- atom.
DOI: 10.17188/1744774
title: Materials Data on Cs2Mn2(MoO4)3 by Materials Project

description: Cs2Mn2(MoO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.65 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.64 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 13–48°. There is one shorter (1.79 Å) and three longer (1.80 Å) Mo–O bond length. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO4 tetrahedra. There are three shorter (2.18 Å) and three longer (2.21 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent MoO4 tetrahedra. There are three shorter (2.20 Å) and three longer (2.21 Å) Mn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one Mo6+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to three Cs1+, one Mo6+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two Cs1+, one Mo6+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one Mo6+, and one Mn2+ atom.
DOI: 10.17188/1744775
title: Materials Data on Ba(PO4)2 by Materials Project

description: Ba(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.04 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ba and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Ba and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Ba and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Ba and one P atom.
DOI: 10.17188/1744776
title: Materials Data on Cs2RbGaCl6 by Materials Project

description: Cs2RbGaCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Cs–Cl bond lengths are 3.94 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.14 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.40 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Ga3+ atom.
DOI: 10.17188/1744777
title: Materials Data on Li3Mn5F15 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: 10.17188/1744778
title: Materials Data on Rb6Co2O7 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: 10.17188/1744780
title: Materials Data on Cr2O3 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: 10.17188/1744781
title: Materials Data on V6Cu2O15 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: 10.17188/1744782
title: Materials Data on VBP2NO9 by Materials Project

description: (VBP2O9)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four ammonia molecules and one VBP2O9 framework. In the VBP2O9 framework, V4+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one BO4 tetrahedra and corners with five PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.74–1.99 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one VO6 octahedra and corners with three PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO6 octahedra and a cornercorner with one BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–45°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent BO4 tetrahedra. The corner-sharing octahedra tilt angles range from 36–54°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one B3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one B3+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom.
DOI: 10.17188/1744783
title: Materials Data on BaLi(B3O5)3 by Materials Project

description: LiBaB9O15 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.47 Å) Li–O bond lengths. Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent BO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.96–3.22 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share edges with two equivalent BaO12 cuboctahedra. There is two shorter (1.47 Å) and two longer (1.49 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.41 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, one Ba2+, and two B3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ba2+ and two B3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two B3+ atoms.
DOI: 10.17188/1744784
title: Materials Data on Ce2Mg by Materials Project

description: MgCe2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ce atoms to form MgCe9Mg3 cuboctahedra that share corners with nine equivalent MgCe9Mg3 cuboctahedra, corners with nine equivalent CeCe6Mg6 cuboctahedra, edges with six equivalent MgCe9Mg3 cuboctahedra, edges with twelve equivalent CeCe8Mg4 cuboctahedra, faces with five equivalent MgCe9Mg3 cuboctahedra, and faces with fifteen CeCe8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.33 Å. There are three shorter (3.33 Å) and six longer (3.41 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Mg and eight Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with eighteen equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe9Mg3 cuboctahedra, edges with ten CeCe8Mg4 cuboctahedra, faces with eight equivalent MgCe9Mg3 cuboctahedra, and faces with twelve CeCe8Mg4 cuboctahedra. There are six shorter (3.33 Å) and two longer (3.41 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with eighteen equivalent MgCe9Mg3 cuboctahedra, edges with eighteen CeCe8Mg4 cuboctahedra, faces with six equivalent MgCe9Mg3 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra.
DOI: 10.17188/1744785
title: Materials Data on Ba2YCu3O8 by Materials Project

description: YBa2Cu3O8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with eight equivalent BaO12 cuboctahedra, faces with five equivalent BaO12 cuboctahedra, faces with four equivalent CuO6 octahedra, and faces with four equivalent CuO5 square pyramids. There are a spread of Ba–O bond distances ranging from 2.77–3.13 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.41 Å. There are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with two equivalent CuO5 square pyramids, and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.97 Å) and two longer (2.00 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one CuO6 octahedra, corners with four equivalent CuO5 square pyramids, and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.00 Å) and one longer (2.01 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Y3+, and two equivalent Cu3+ atoms. In the second O2- site, O2- is bonded to four equivalent Ba2+ and two Cu3+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Cu3+ atoms.
DOI: 10.17188/1744786
title: Materials Data on Li15Cr15SiO32 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: 10.17188/1744787
title: Materials Data on EuMnBi2 by Materials Project

description: EuMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four Mn and eight Bi atoms to form distorted EuMn4Bi8 cuboctahedra that share corners with eight equivalent EuMn4Bi8 cuboctahedra, corners with eight MnEu4Bi4 tetrahedra, edges with four equivalent EuMn4Bi8 cuboctahedra, edges with four MnEu4Bi4 tetrahedra, and faces with five equivalent EuMn4Bi8 cuboctahedra. All Eu–Mn bond lengths are 3.66 Å. There are four shorter (3.45 Å) and four longer (3.47 Å) Eu–Bi bond lengths. In the second Eu site, Eu is bonded to four Mn and eight Bi atoms to form distorted EuMn4Bi8 cuboctahedra that share corners with eight equivalent EuMn4Bi8 cuboctahedra, corners with eight MnEu4Bi4 tetrahedra, edges with four equivalent EuMn4Bi8 cuboctahedra, edges with four MnEu4Bi4 tetrahedra, and faces with five equivalent EuMn4Bi8 cuboctahedra. All Eu–Mn bond lengths are 3.66 Å. There are four shorter (3.45 Å) and four longer (3.47 Å) Eu–Bi bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four Eu and four Bi atoms to form distorted MnEu4Bi4 tetrahedra that share corners with eight EuMn4Bi8 cuboctahedra, edges with four EuMn4Bi8 cuboctahedra, edges with four equivalent MnEu4Bi4 tetrahedra, and faces with four equivalent MnEu4Bi4 tetrahedra. All Mn–Bi bond lengths are 2.87 Å. In the second Mn site, Mn is bonded to four Eu and four Bi atoms to form distorted MnEu4Bi4 tetrahedra that share corners with eight EuMn4Bi8 cuboctahedra, edges with four EuMn4Bi8 cuboctahedra, edges with four equivalent MnEu4Bi4 tetrahedra, and faces with four equivalent MnEu4Bi4 tetrahedra. All Mn–Bi bond lengths are 2.87 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.28 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Eu and four Mn atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Eu and four Mn atoms. In the fifth Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.28 Å.
DOI: 10.17188/1744788
title: Materials Data on SnO by Materials Project

description: SnO crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two SnO sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.43 Å. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.43 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sn2+ atoms to form a mixture of distorted corner and edge-sharing OSn4 tetrahedra. In the second O2- site, O2- is bonded to four Sn2+ atoms to form a mixture of distorted corner and edge-sharing OSn4 tetrahedra.
DOI: 10.17188/1744789
title: Materials Data on Sc2AgPb by Materials Project

description: Sc2AgPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AgPb ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ag and one Pb atom. The Sc–Ag bond length is 2.83 Å. The Sc–Pb bond length is 2.72 Å. Ag is bonded in a linear geometry to two equivalent Sc atoms. Pb is bonded in a linear geometry to two equivalent Sc atoms.
DOI: 10.17188/1744790
title: Materials Data on ErU by Materials Project

description: UEr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent U and six equivalent Er atoms to form UEr6U6 cuboctahedra that share corners with eighteen equivalent UEr6U6 cuboctahedra, edges with six equivalent UEr6U6 cuboctahedra, edges with twelve equivalent ErEr6U6 cuboctahedra, faces with eight equivalent UEr6U6 cuboctahedra, and faces with twelve equivalent ErEr6U6 cuboctahedra. All U–U bond lengths are 3.20 Å. All U–Er bond lengths are 3.41 Å. Er is bonded to six equivalent U and six equivalent Er atoms to form ErEr6U6 cuboctahedra that share corners with eighteen equivalent ErEr6U6 cuboctahedra, edges with six equivalent ErEr6U6 cuboctahedra, edges with twelve equivalent UEr6U6 cuboctahedra, faces with eight equivalent ErEr6U6 cuboctahedra, and faces with twelve equivalent UEr6U6 cuboctahedra. All Er–Er bond lengths are 3.20 Å.