cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1746695
title: Materials Data on Tm10S19 by Materials Project

description: Tm10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.77–2.87 Å. In the second Tm3+ site, Tm3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.73–2.95 Å. In the third Tm3+ site, Tm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Tm–S bond distances ranging from 2.77–3.01 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to five Tm3+ atoms. In the second S+1.58- site, S+1.58- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. In the third S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Tm3+ and one S+1.58- atom. The S–S bond length is 2.18 Å. In the fourth S+1.58- site, S+1.58- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids. In the fifth S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Tm3+ atoms. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Tm3+ and one S+1.58- atom.
DOI: 10.17188/1746696
title: Materials Data on LiMnPO4 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: 10.17188/1746697
title: Materials Data on ZnGeAs2 by Materials Project

description: ZnGeAs2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent GeAs4 tetrahedra. All Zn–As bond lengths are 2.46 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight equivalent ZnAs4 tetrahedra. All Ge–As bond lengths are 2.51 Å. As3- is bonded to two equivalent Zn2+ and two equivalent Ge4+ atoms to form corner-sharing AsZn2Ge2 tetrahedra.
DOI: 10.17188/1746698
title: Materials Data on HfGeRu2 by Materials Project

description: HfRu2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru and six equivalent Ge atoms. All Hf–Ru bond lengths are 2.71 Å. All Hf–Ge bond lengths are 3.13 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.71 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Hf and eight equivalent Ru atoms.
DOI: 10.17188/1746700
title: Materials Data on SrMg2 by Materials Project

description: Mg2Sr is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to six equivalent Sr and six equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr6Mg6 cuboctahedra. All Sr–Sr bond lengths are 3.72 Å. All Sr–Mg bond lengths are 3.67 Å. Mg is bonded in a 6-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Mg–Mg bond lengths are 3.28 Å.
DOI: 10.17188/1746701
title: Materials Data on Ba2CaCr2CuF14 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: 10.17188/1746702
title: Materials Data on Ba3Al3N5 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: 10.17188/1746703
title: Materials Data on NiH4(IO4)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: 10.17188/1746704
title: Materials Data on Nb2CuS4 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: 10.17188/1746705
title: Materials Data on Rb2Ni2(SO4)3 by Materials Project

description: Rb2Ni2(SO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.20 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to fifteen O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.48 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.08 Å) and three longer (2.10 Å) Ni–O bond lengths. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.08 Å) and three longer (2.13 Å) Ni–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four NiO6 octahedra. The corner-sharing octahedra tilt angles range from 14–49°. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Ni2+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Rb1+, one Ni2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Ni2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+, one Ni2+, and one S6+ atom.
DOI: 10.17188/1746706
title: Materials Data on LaEuS2 by Materials Project

description: EuLaS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent LaS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Eu–S bond lengths are 2.92 Å. La2+ is bonded to six equivalent S2- atoms to form LaS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent LaS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All La–S bond lengths are 2.95 Å. S2- is bonded to three equivalent Eu2+ and three equivalent La2+ atoms to form a mixture of edge and corner-sharing SLa3Eu3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1746707
title: Materials Data on Zn(BrN)2 by Materials Project

description: (N2)Zn(Br)2 crystallizes in the orthorhombic Imma space group. The structure is zero-dimensional and consists of four diaminozinc molecules and eight hydrobromic acid molecules.
DOI: 10.17188/1746708
title: Materials Data on Ca11(RhN5)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: 10.17188/1746709
title: Materials Data on Mn2AsHO5 by Materials Project

description: Mn2AsHO5 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. 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 four equivalent AsO4 tetrahedra, corners with four equivalent MnO5 trigonal bipyramids, and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.18–2.33 Å. In the second Mn2+ site, Mn2+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with four equivalent MnO6 octahedra, corners with four equivalent AsO4 tetrahedra, and an edgeedge with one MnO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 54–68°. There are a spread of Mn–O bond distances ranging from 2.13–2.17 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent MnO6 octahedra and corners with four equivalent MnO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 54–62°. There is one shorter (1.72 Å) and three longer (1.73 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Mn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mn2+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Mn2+ and one As5+ atom.
DOI: 10.17188/1746710
title: Materials Data on Mn6O11F 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: 10.17188/1746711
title: Materials Data on Ca2AlZn by Materials Project

description: Ca2ZnAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2ZnAl ribbons oriented in the (0, 1, 0) direction. Ca is bonded in a linear geometry to one Zn and one Al atom. The Ca–Zn bond length is 3.18 Å. The Ca–Al bond length is 2.94 Å. Zn is bonded in a linear geometry to two equivalent Ca atoms. Al is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1746712
title: Materials Data on Ba2CaV2CoF14 by Materials Project

description: Ba2CaV2CoF14 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Ba–F bond distances ranging from 2.67–3.29 Å. Ca2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Ca–F bond distances ranging from 2.25–2.62 Å. V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent CoF6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of V–F bond distances ranging from 1.93–2.03 Å. Co2+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with four equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 49–53°. There are a spread of Co–F bond distances ranging from 2.02–2.17 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ca2+, and one V3+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one V3+, and one Co2+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Ba2+, one Ca2+, and one V3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one V3+ atom. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Ba2+, one Ca2+, and one Co2+ atom. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+, one Ca2+, and one V3+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+, one V3+, and one Co2+ atom.
DOI: 10.17188/1746714
title: Materials Data on Na5V3O12 by Materials Project

description: Na5V3O12 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.41–2.47 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.89 Å. In the third Na site, Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with six VO4 tetrahedra and edges with two NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.33–2.53 Å. There are two inequivalent V sites. In the first V site, V is bonded to four O atoms to form VO4 tetrahedra that share corners with six equivalent NaO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–57°. There is two shorter (1.67 Å) and two longer (1.85 Å) V–O bond length. In the second V site, V is bonded to four O atoms to form VO4 tetrahedra that share corners with six NaO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–74°. There are a spread of V–O bond distances ranging from 1.71–1.85 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to three Na and one V atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na and two V atoms. In the third O site, O is bonded to three Na and one V atom to form distorted corner-sharing ONa3V tetrahedra. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one V atom. In the fifth O site, O is bonded in a 1-coordinate geometry to four Na and one V atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Na atoms.
DOI: 10.17188/1746715
title: Materials Data on Rb2LaNb2ClO7 by Materials Project

description: (Rb2Cl)LaNb2O7 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent Cl1- atoms. All Rb–O bond lengths are 3.13 Å. All Rb–Cl bond lengths are 3.44 Å. La3+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing LaO12 cuboctahedra. There are eight shorter (2.72 Å) and four longer (2.78 Å) La–O bond lengths. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent La3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four equivalent La3+ and two equivalent Nb5+ atoms to form a mixture of distorted edge and corner-sharing OLa4Nb2 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a distorted body-centered cubic geometry to eight equivalent Rb1+ atoms.
DOI: 10.17188/1746716
title: Materials Data on Gd3ReB7 by Materials Project

description: Gd3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.78 Å. In the second Gd3+ site, Gd3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.69–2.73 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Re–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Gd3+ and three B+2.14- atoms. There is one shorter (1.88 Å) and two longer (2.02 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.85 Å) and one longer (1.88 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longer (1.93 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 2-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and two equivalent B+2.14- atoms.
DOI: 10.17188/1746717
title: Materials Data on K2LiPrI6 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: 10.17188/1746718
title: Materials Data on LiVB2O5 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: 10.17188/1746719
title: Materials Data on Fe3(PO5)2 by Materials Project

description: Fe3(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and faces with two equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Fe–O bond distances ranging from 1.90–2.03 Å. In the second Fe site, Fe is bonded to six O atoms to form distorted FeO6 octahedra that share corners with three FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and a faceface with one FeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Fe–O bond distances ranging from 1.92–2.21 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are a spread of P–O bond distances ranging from 1.52–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Fe and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two Fe and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one P atom. In the fifth O site, O is bonded in a distorted T-shaped geometry to three Fe atoms.
DOI: 10.17188/1746720
title: Materials Data on Li2FeP2O7 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: 10.17188/1746721
title: Materials Data on Sr(FeSb3)4 by Materials Project

description: SrFe4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent Sb1- atoms to form SrSb12 cuboctahedra that share faces with eight equivalent FeSb6 octahedra. All Sr–Sb bond lengths are 3.44 Å. Fe+2.50+ is bonded to six equivalent Sb1- atoms to form FeSb6 octahedra that share corners with six equivalent FeSb6 octahedra and faces with two equivalent SrSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.57 Å. Sb1- is bonded in a 2-coordinate geometry to one Sr2+, two equivalent Fe+2.50+, and two equivalent Sb1- atoms. There are one shorter (3.00 Å) and one longer (3.02 Å) Sb–Sb bond lengths.
DOI: 10.17188/1746723
title: Materials Data on InCuGeSe4 by Materials Project

description: CuInGeSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All Ge–Se bond lengths are 2.42 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cu1+, one In3+, and one Ge4+ atom.
DOI: 10.17188/1746724
title: Materials Data on Yb3(CuGe)4 by Materials Project

description: Yb3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six Ge atoms to form distorted edge-sharing YbGe6 octahedra. There are four shorter (2.98 Å) and two longer (3.00 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.00 Å) and two longer (3.02 Å) Yb–Cu bond lengths. There are two shorter (2.97 Å) and four longer (3.04 Å) Yb–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Yb, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.54 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.47 Å.
DOI: 10.17188/1746725
title: Materials Data on Li4Mn3OF11 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: 10.17188/1746726
title: Materials Data on ErAl3 by Materials Project

description: Al3Er crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Al atoms to form a mixture of face and corner-sharing ErAl12 cuboctahedra. There are six shorter (3.05 Å) and six longer (3.11 Å) Er–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Er and six equivalent Al atoms. There are two shorter (2.79 Å) and four longer (2.82 Å) Al–Al bond lengths.