cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1716982
title: Materials Data on Pr2InCuS5 by Materials Project

description: Pr2CuInS5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.90–3.19 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pr–S bond distances ranging from 2.91–3.18 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with three equivalent InS6 octahedra, corners with two equivalent CuS4 tetrahedra, and edges with two equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–74°. There are a spread of Cu–S bond distances ranging from 2.26–2.52 Å. In3+ is bonded to six S2- atoms to form InS6 octahedra that share corners with three equivalent CuS4 tetrahedra and edges with two equivalent InS6 octahedra. There are a spread of In–S bond distances ranging from 2.57–2.79 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded to three Pr3+ and two equivalent In3+ atoms to form distorted SPr3In2 trigonal bipyramids that share corners with two equivalent SPr4Cu square pyramids, corners with nine SPr3In2 trigonal bipyramids, edges with six SPr4In square pyramids, and an edgeedge with one SPr3In2 trigonal bipyramid. In the second S2- site, S2- is bonded to four Pr3+ and one Cu1+ atom to form distorted SPr4Cu square pyramids that share corners with four equivalent SPr4In square pyramids, corners with six SPr3In2 trigonal bipyramids, edges with four SPr4Cu square pyramids, and edges with three SPr3In2 trigonal bipyramids. In the third S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Pr3+, three equivalent Cu1+, and one In3+ atom. In the fourth S2- site, S2- is bonded to four Pr3+ and one In3+ atom to form distorted SPr4In square pyramids that share corners with four equivalent SPr4Cu square pyramids, corners with two equivalent SPr3In2 trigonal bipyramids, edges with four SPr4Cu square pyramids, and edges with seven SPr3In2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three equivalent Pr3+ and two equivalent In3+ atoms to form distorted SPr3In2 trigonal bipyramids that share corners with six SPr4Cu square pyramids, corners with five equivalent SPr3In2 trigonal bipyramids, edges with four SPr4In square pyramids, and edges with five SPr3In2 trigonal bipyramids.
DOI: 10.17188/1716983
title: Materials Data on Na2Np(CO4)2 by Materials Project

description: Na2Np(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.95 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.85 Å. Np6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Np–O bond distances ranging from 1.84–2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Np6+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Np6+, and one C4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two equivalent Np6+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Np6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Np6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Np6+, and one C4+ atom.
DOI: 10.17188/1716984
title: Materials Data on Al2TcRh by Materials Project

description: TcRhAl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcRhAl2 ribbons oriented in the (1, 0, 0) direction. Tc is bonded in a linear geometry to two equivalent Al atoms. Both Tc–Al bond lengths are 2.44 Å. Rh is bonded in a linear geometry to two equivalent Al atoms. Both Rh–Al bond lengths are 2.39 Å. Al is bonded in a linear geometry to one Tc and one Rh atom.
DOI: 10.17188/1716985
title: Materials Data on VOsO3 by Materials Project

description: VOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one vanadium molecule and one OsO3 framework. In the OsO3 framework, Os1+ is bonded to six equivalent O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.96 Å. O2- is bonded in a linear geometry to two equivalent Os1+ atoms.
DOI: 10.17188/1716986
title: Materials Data on Hg(NCl)2 by Materials Project

description: HgCl2N2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of four ammonia molecules and two HgCl2 ribbons oriented in the (0, 0, 1) direction. In each HgCl2 ribbon, Hg2+ is bonded in a distorted square co-planar geometry to four equivalent Cl1- atoms. All Hg–Cl bond lengths are 2.61 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Hg2+ atoms.
DOI: 10.17188/1716987
title: Materials Data on LaYb3 by Materials Project

description: Yb3La is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent La atoms. All Yb–Yb bond lengths are 3.70 Å. All Yb–La bond lengths are 3.70 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms. La is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1716988
title: Materials Data on SrMg by Materials Project

description: SrMg crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six equivalent Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.61–3.72 Å. Mg is bonded in a distorted hexagonal planar geometry to six equivalent Sr atoms.
DOI: 10.17188/1716989
title: Materials Data on Pr2MgSi4 by Materials Project

description: MgPr2Si4 crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Mg2+ is bonded in a square co-planar geometry to four Si2- atoms. All Mg–Si bond lengths are 2.79 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.04–3.29 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are a spread of Pr–Si bond distances ranging from 3.05–3.29 Å. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 6-coordinate geometry to two equivalent Mg2+, two equivalent Pr3+, and two Si2- atoms. There are one shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. There are two shorter (2.49 Å) and one longer (2.89 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 8-coordinate geometry to four Pr3+ and four Si2- atoms. The Si–Si bond length is 2.85 Å.
DOI: 10.17188/1716990
title: Materials Data on MoC3S2Cl7O 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: 10.17188/1716991
title: Materials Data on NiW3N by Materials Project

description: W3NiN is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 5-coordinate geometry to three equivalent Ni and two equivalent N atoms. There are a spread of W–Ni bond distances ranging from 2.49–2.65 Å. There are one shorter (2.11 Å) and one longer (2.22 Å) W–N bond lengths. In the second W site, W is bonded in a 2-coordinate geometry to three equivalent Ni and two equivalent N atoms. There are a spread of W–Ni bond distances ranging from 2.44–3.03 Å. Both W–N bond lengths are 2.08 Å. Ni is bonded in a 9-coordinate geometry to nine W atoms. N is bonded to six W atoms to form corner-sharing NW6 octahedra. The corner-sharing octahedra tilt angles range from 35–41°.
DOI: 10.17188/1716992
title: Materials Data on LiFe(PO3)4 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: 10.17188/1716993
title: Materials Data on V2Ni(TeO5)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: 10.17188/1716994
title: Materials Data on Ni4Mo6CN by Materials Project

description: Mo6Ni4CN crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted bent 150 degrees geometry to six Ni, one C, and one N atom. There are a spread of Mo–Ni bond distances ranging from 2.73–2.85 Å. The Mo–C bond length is 2.10 Å. The Mo–N bond length is 2.11 Å. In the second Mo site, Mo is bonded in a distorted bent 150 degrees geometry to six Ni, one C, and one N atom. There are a spread of Mo–Ni bond distances ranging from 2.73–2.84 Å. The Mo–C bond length is 2.09 Å. The Mo–N bond length is 2.10 Å. In the third Mo site, Mo is bonded in a bent 150 degrees geometry to six Ni and two equivalent N atoms. There are a spread of Mo–Ni bond distances ranging from 2.75–2.84 Å. Both Mo–N bond lengths are 2.09 Å. In the fourth Mo site, Mo is bonded in a distorted bent 150 degrees geometry to six Ni and two equivalent C atoms. There are a spread of Mo–Ni bond distances ranging from 2.72–2.84 Å. Both Mo–C bond lengths are 2.11 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to nine Mo and three Ni atoms to form NiNi3Mo9 cuboctahedra that share corners with fifteen NiNi3Mo9 cuboctahedra, an edgeedge with one CMo6 octahedra, edges with two equivalent NMo6 octahedra, faces with ten NiNi3Mo9 cuboctahedra, faces with two equivalent CMo6 octahedra, and faces with two equivalent NMo6 octahedra. There are two shorter (2.48 Å) and one longer (2.49 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to nine Mo and three Ni atoms to form NiNi3Mo9 cuboctahedra that share corners with fifteen NiNi3Mo9 cuboctahedra, an edgeedge with one NMo6 octahedra, edges with two equivalent CMo6 octahedra, faces with ten NiNi3Mo9 cuboctahedra, faces with two equivalent CMo6 octahedra, and faces with two equivalent NMo6 octahedra. The Ni–Ni bond length is 2.48 Å. C is bonded to six Mo atoms to form distorted CMo6 octahedra that share corners with two equivalent CMo6 octahedra, corners with four equivalent NMo6 octahedra, edges with six NiNi3Mo9 cuboctahedra, and faces with eight NiNi3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 25–26°. N is bonded to six Mo atoms to form distorted NMo6 octahedra that share corners with two equivalent NMo6 octahedra, corners with four equivalent CMo6 octahedra, edges with six NiNi3Mo9 cuboctahedra, and faces with eight NiNi3Mo9 cuboctahedra. The corner-sharing octahedra tilt angles range from 25–26°.
DOI: 10.17188/1716995
title: Materials Data on CsNiF3 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: 10.17188/1716996
title: Materials Data on LaGd3(ClO)4 by Materials Project

description: Gd3La(OCl)4 is Matlockite-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 9-coordinate geometry to four O2- and five Cl1- atoms. There are two shorter (2.28 Å) and two longer (2.30 Å) Gd–O bond lengths. There are four shorter (3.12 Å) and one longer (3.25 Å) Gd–Cl bond lengths. In the second Gd3+ site, Gd3+ is bonded in a 4-coordinate geometry to four O2- and five Cl1- atoms. There are one shorter (2.29 Å) and three longer (2.30 Å) Gd–O bond lengths. There are a spread of Gd–Cl bond distances ranging from 3.13–3.20 Å. La3+ is bonded in a 9-coordinate geometry to four O2- and five Cl1- atoms. There are two shorter (2.37 Å) and two longer (2.39 Å) La–O bond lengths. There are one shorter (3.12 Å) and four longer (3.15 Å) La–Cl bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form OLa2Gd2 tetrahedra that share corners with four OGd4 tetrahedra and edges with four equivalent OLaGd3 tetrahedra. In the second O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with four OLa2Gd2 tetrahedra and edges with four equivalent OLaGd3 tetrahedra. In the third O2- site, O2- is bonded to three Gd3+ and one La3+ atom to form OLaGd3 tetrahedra that share corners with four equivalent OLaGd3 tetrahedra and edges with four OLa2Gd2 tetrahedra. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five Gd3+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three Gd3+ and two equivalent La3+ atoms.
DOI: 10.17188/1716997
title: Materials Data on RbSrI3 by Materials Project

description: RbSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.19 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (3.30 Å) and four longer (3.33 Å) Sr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IRb2Sr2 tetrahedra.
DOI: 10.17188/1716998
title: Materials Data on Li3Eu3(TeO6)2 by Materials Project

description: Li3Eu3(TeO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Li–O bond lengths are 1.95 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.46 Å) and four longer (2.56 Å) Eu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO4 tetrahedra. All Te–O bond lengths are 1.97 Å. O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Eu3+, and one Te6+ atom.
DOI: 10.17188/1716999
title: Materials Data on V6O5F19 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: 10.17188/1717000
title: Materials Data on K2TiSi3O10 by Materials Project

description: K2TiSi3O10 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.31 Å. In the second K site, K is bonded in a 7-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.79–3.38 Å. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.91–2.03 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–52°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–42°. There is two shorter (1.62 Å) and two longer (1.66 Å) Si–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Ti, and one Si atom. In the second O site, O is bonded in a 2-coordinate geometry to two K, one Ti, and one Si atom. In the third O site, O is bonded in a 2-coordinate geometry to one K, one Ti, and one Si atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two K, one Ti, and one Si atom. In the fifth O site, O is bonded in a 2-coordinate geometry to three K atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two K and two Si atoms. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one K and two Si atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one K, one Ti, and one Si atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two Si atoms. In the tenth O site, O is bonded in a 2-coordinate geometry to one K, one Ti, and one Si atom.
DOI: 10.17188/1717001
title: Materials Data on RbNa7(CoO3)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: 10.17188/1717002
title: Materials Data on Li4V3P8O29 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: 10.17188/1717004
title: Materials Data on K3YbN6 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: 10.17188/1717005
title: Materials Data on Ba2EuV3O11 by Materials Project

description: Ba2EuV3O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.40 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.18 Å. Eu3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.96 Å. There are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.70–1.81 Å. In the third V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.70–1.82 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+ and two V5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, two equivalent Eu3+, and one V5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Ba2+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, two equivalent Eu3+, and one V5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Ba2+ and one V5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Eu3+, and one V5+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent Eu3+, and one V5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Eu3+, and one V5+ atom.
DOI: 10.17188/1717006
title: Materials Data on SmEuB12 by Materials Project

description: EuSmB12 is Calcium hexaboride-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu3+ is bonded in a 1-coordinate geometry to twenty-four equivalent B+0.50- atoms. All Eu–B bond lengths are 3.04 Å. Sm3+ is bonded in a 1-coordinate geometry to twenty-four equivalent B+0.50- atoms. All Sm–B bond lengths are 3.04 Å. B+0.50- is bonded in a 1-coordinate geometry to two equivalent Eu3+, two equivalent Sm3+, and five equivalent B+0.50- atoms. There is one shorter (1.66 Å) and four longer (1.75 Å) B–B bond length.