cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1744403
title: Materials Data on Y4Mg25 by Materials Project

description: Mg25Y4 is alpha-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to nine Mg and one Y atom. There are three shorter (3.20 Å) and six longer (3.43 Å) Mg–Mg bond lengths. The Mg–Y bond length is 3.58 Å. In the second Mg site, Mg is bonded to eleven Mg and one Y atom to form a mixture of distorted edge and corner-sharing MgYMg11 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.39 Å. The Mg–Y bond length is 3.20 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to twelve Mg and one Y atom. There are a spread of Mg–Mg bond distances ranging from 3.00–3.39 Å. The Mg–Y bond length is 3.68 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Y atoms. There are a spread of Mg–Mg bond distances ranging from 2.97–3.39 Å. There are one shorter (3.22 Å) and one longer (3.68 Å) Mg–Y bond lengths. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Y atoms. There are one shorter (2.86 Å) and two longer (3.02 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.46–3.57 Å. In the sixth Mg site, Mg is bonded in a 11-coordinate geometry to eight Mg and three Y atoms. Both Mg–Mg bond lengths are 3.04 Å. There are two shorter (3.46 Å) and one longer (3.47 Å) Mg–Y bond lengths. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three Y atoms. There are one shorter (2.87 Å) and one longer (3.02 Å) Mg–Mg bond lengths. There are two shorter (3.45 Å) and one longer (3.57 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to thirteen Mg and three equivalent Y atoms. All Y–Y bond lengths are 3.64 Å. In the second Y site, Y is bonded in a 3-coordinate geometry to fifteen Mg and one Y atom.
DOI: 10.17188/1744405
title: Materials Data on Dy2FeMoO7 by Materials Project

description: DyFeO3DyO2MoO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two molybdenum (iv)oxide molecules; two DyO2 ribbons oriented in the (1, 0, 0) direction; and one DyFeO3 framework. In each DyO2 ribbon, Dy3+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Dy–O bond distances ranging from 1.75–8.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ atoms. In the DyFeO3 framework, there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.63 Å. In the second Dy3+ site, Dy3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Dy–O bond lengths are 1.59 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Fe–O bond distances ranging from 2.33–2.68 Å. In the second Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Fe2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Dy3+ and one Fe2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Dy3+ and one Fe2+ atom.
DOI: 10.17188/1744406
title: Materials Data on RbIrN2 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: 10.17188/1744407
title: Materials Data on K3YBr6 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: 10.17188/1744408
title: Materials Data on AgMoAsO6 by Materials Project

description: MoAgAsO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.21 Å. Ag1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–3.22 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 50–60°. There is two shorter (1.71 Å) and two longer (1.73 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+, two equivalent Ag1+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+, one Ag1+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+, two equivalent Ag1+, and one As5+ atom.
DOI: 10.17188/1744409
title: Materials Data on MnNi3O4 by Materials Project

description: MnNi3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent NiO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten NiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are two shorter (2.15 Å) and four longer (2.20 Å) Mn–O bond lengths. 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 NiO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with eight NiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ni–O bond distances ranging from 2.13–2.16 Å. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with four equivalent MnO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with ten NiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.09 Å) and two longer (2.15 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Ni2+ atoms to form a mixture of edge and corner-sharing ONi6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to two equivalent Mn2+ and four Ni2+ atoms to form OMn2Ni4 octahedra that share corners with six equivalent OMn2Ni4 octahedra and edges with twelve ONi6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the third O2- site, O2- is bonded to two equivalent Mn2+ and four equivalent Ni2+ atoms to form a mixture of edge and corner-sharing OMn2Ni4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1744410
title: Materials Data on Cs2TaCuCl6 by Materials Project

description: Cs2TaCuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent TaCl6 octahedra, and faces with four equivalent CuCl6 octahedra. There are eight shorter (3.62 Å) and four longer (3.63 Å) Cs–Cl bond lengths. Ta3+ is bonded to six Cl1- atoms to form TaCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–Cl bond lengths are 2.51 Å. Cu1+ is bonded to six Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent TaCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.60 Å) and four longer (2.63 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ta3+, and one Cu1+ atom. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ta3+, and one Cu1+ atom.
DOI: 10.17188/1744411
title: Materials Data on Na2SO5 by Materials Project

description: Na2SO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.46 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 1-coordinate geometry to five O atoms. There are one shorter (2.36 Å) and four longer (2.47 Å) Na–O bond lengths. S is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All S–O bond lengths are 1.67 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Na atoms. In the second O site, O is bonded in a 3-coordinate geometry to two Na and one S atom.
DOI: 10.17188/1744412
title: Materials Data on CoCuSe2(ClO5)2 by Materials Project

description: Co(O2Cl)2Cu(SeO3)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four Co(O2Cl)2 clusters and two Cu(SeO3)2 sheets oriented in the (0, 0, 1) direction. In each Co(O2Cl)2 cluster, Co is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There are a spread of Co–O bond distances ranging from 1.71–1.80 Å. Both Co–Cl bond lengths are 2.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In the third O site, O is bonded in a single-bond geometry to one Co atom. Cl is bonded in a single-bond geometry to one Co atom. In each Cu(SeO3)2 sheet, Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.78 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cu and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Cu and one Se atom.
DOI: 10.17188/1744414
title: Materials Data on U(PO3)4 by Materials Project

description: U(PO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.22–2.53 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form edge-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.66 Å. In the third P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the fourth P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.80 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one U4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to two equivalent P5+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one P5+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U4+ and one P5+ atom.
DOI: 10.17188/1744415
title: Materials Data on Ca2MgGa by Materials Project

description: Ca2MgGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2MgGa ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Mg and one Ga atom. The Ca–Mg bond length is 3.45 Å. The Ca–Ga bond length is 2.86 Å. Mg is bonded in a linear geometry to two equivalent Ca atoms. Ga is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1744416
title: Materials Data on Co3I by Materials Project

description: Co3I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent I atoms. There are four shorter (2.39 Å) and two longer (2.43 Å) Co–Co bond lengths. There are two shorter (2.99 Å) and two longer (3.23 Å) Co–I bond lengths. I is bonded in a 12-coordinate geometry to twelve equivalent Co atoms.
DOI: 10.17188/1744417
title: Materials Data on SbPd6Se by Materials Project

description: Pd6SbSe crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to eight Pd, three equivalent Sb, and three equivalent Se atoms. There are a spread of Pd–Pd bond distances ranging from 2.76–2.80 Å. All Pd–Sb bond lengths are 3.19 Å. All Pd–Se bond lengths are 3.23 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd, three equivalent Sb, and one Se atom. All Pd–Sb bond lengths are 2.79 Å. The Pd–Se bond length is 2.75 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd, one Sb, and three equivalent Se atoms. The Pd–Sb bond length is 2.80 Å. All Pd–Se bond lengths are 2.77 Å. Sb is bonded in a distorted body-centered cubic geometry to fourteen Pd atoms. Se is bonded in a body-centered cubic geometry to fourteen Pd atoms.
DOI: 10.17188/1744419
title: Materials Data on CuWO4 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: 10.17188/1744420
title: Materials Data on Tb2InNi2 by Materials Project

description: Tb2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.84 Å) and four longer (2.87 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.29 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–In bond lengths are 2.97 Å. In is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of corner and face-sharing InTb8Ni4 cuboctahedra.
DOI: 10.17188/1744421
title: Materials Data on LiSn(PO3)4 by Materials Project

description: LiSn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.69 Å. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are two shorter (2.24 Å) and four longer (2.25 Å) Sn–O bond lengths. 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 two equivalent SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–55°. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one SnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of P–O bond distances ranging from 1.47–1.63 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sn3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms.
DOI: 10.17188/1744424
title: Materials Data on CsLiCl2 by Materials Project

description: LiClCsCl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.86 Å. Li1+ is bonded to four Cl1- atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.33–2.40 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Li1+ atoms.
DOI: 10.17188/1744425
title: Materials Data on La4Cu5Sb8 by Materials Project

description: La4Cu5Sb8 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.34 Å) and four longer (3.42 Å) La–Sb bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.32 Å) and four longer (3.42 Å) La–Sb bond lengths. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.39 Å) and four longer (3.49 Å) La–Sb bond lengths. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.34 Å) and four longer (3.43 Å) La–Sb bond lengths. There are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four Sb+2.25- atoms to form a mixture of corner and edge-sharing CuSb4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.70 Å) Cu–Sb bond lengths. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four Sb+2.25- atoms to form a mixture of corner and edge-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.70 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded in a 5-coordinate geometry to five Sb+2.25- atoms. There are one shorter (2.49 Å) and four longer (2.66 Å) Cu–Sb bond lengths. There are six inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 10-coordinate geometry to four La3+, two equivalent Cu+1.20+, and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.16 Å. In the second Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four La3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.16 Å. In the third Sb+2.25- site, Sb+2.25- is bonded in a 9-coordinate geometry to four equivalent La3+ and five Cu+1.20+ atoms. In the fourth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Cu+1.20+ atoms. In the fifth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Cu+1.20+ atoms. In the sixth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Cu+1.20+ atoms.
DOI: 10.17188/1744428
title: Materials Data on ErAl7Fe5 by Materials Project

description: ErFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Er–Fe bond distances ranging from 3.20–3.34 Å. There are a spread of Er–Al bond distances ranging from 2.89–3.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Er, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.54 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.66 Å. In the second Fe site, Fe is bonded to two equivalent Er, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeEr2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.69 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.85 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Er, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Er, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.69 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, five Fe, and five Al atoms.