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DOE OSTI2020

Materials Data on Eu(CuSb)2 by Materials Project

Eu(CuSb)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.41 Å) and four longer (3.64 Å) Eu–Sb bond lengths. There are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.67 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.53 Å) and four longer (2.72 Å) Cu–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Eu3+ and four equivalent Cu+1.50+ atoms to form a mixture of distorted edge and face-sharing SbEu4Cu4 tetrahedra. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Eu3+ and five Cu+1.50+ atoms.

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Materials Data on Eu(BS2)2 by Materials Project

Eu(BS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.55 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four S2- atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.92–1.95 Å. In the second B3+ site, B3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.88–1.97 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Eu2+ and two equivalent B3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Eu2+ and two equivalent B3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms.

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Materials Data on Eu(ErS2)2 by Materials Project

Eu(ErS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.66–2.75 Å. In the second Er3+ site, Er3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing ErS6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Er–S bond distances ranging from 2.69–2.74 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.29 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the third S2- site, S2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing SEu2Er3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.

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Materials Data on Eu(IO3)3 by Materials Project

Eu(O3I)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.39–2.97 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and one I5+ atom. The O–I bond length is 1.83 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and two I5+ atoms. There are one shorter (1.85 Å) and one longer (2.89 Å) O–I bond lengths. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and one I5+ atom. The O–I bond length is 1.83 Å. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two I5+ atoms. There are one shorter (1.83 Å) and one longer (2.81 Å) O–I bond lengths. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent I5+ atoms. There are one shorter (1.86 Å) and one longer (2.43 Å) O–I bond lengths. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one I5+ atom. The O–I bond length is 1.84 Å. There are three inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms. In the third I5+ site, I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

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Materials Data on Eu(NiSb)2 by Materials Project

Eu(NiSb)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Sb3- atoms. All Eu–Sb bond lengths are 3.44 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.51 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one Sb3- atom. The Sb–Sb bond length is 2.95 Å.

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Materials Data on Eu(Ni2B)6 by Materials Project

Eu(Ni2B)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Eu–B bond lengths are 3.16 Å. There are two inequivalent Ni+1.33+ sites. In the first Ni+1.33+ site, Ni+1.33+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are two shorter (2.07 Å) and one longer (2.09 Å) Ni–B bond lengths. In the second Ni+1.33+ site, Ni+1.33+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 trigonal pyramids. There are two shorter (2.04 Å) and two longer (2.10 Å) Ni–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Eu2+ and seven Ni+1.33+ atoms.

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Materials Data on Eu(MgSb)2 by Materials Project

Eu(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent EuSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent EuSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are three shorter (2.89 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Eu2+ is bonded to six equivalent Sb3- atoms to form EuSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent EuSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Eu–Sb bond lengths are 3.36 Å. Sb3- is bonded to four equivalent Mg2+ and three equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing SbEu3Mg4 pentagonal bipyramids.

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Materials Data on Eu(ScSe2)2 by Materials Project

Eu(ScSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 2.95–3.13 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are a spread of Sc–Se bond distances ranging from 2.58–2.63 Å. In the second Sc3+ site, Sc3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing ScSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are a spread of Sc–Se bond distances ranging from 2.57–2.63 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Eu2+ and three equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2Sc3 square pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Sc3+ atoms. In the third Se2- site, Se2- is bonded to two equivalent Eu2+ and three Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2Sc3 trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three equivalent Sc3+ atoms.

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Materials Data on Eu(HO)3 by Materials Project

Eu(OH)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.50 Å) and three longer (2.51 Å) Eu–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a single-bond geometry to three equivalent Eu3+ and one H1+ atom.

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Materials Data on Eu(HO)3 by Materials Project

Eu(OH)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.48–2.75 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three equivalent Eu3+ and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Eu3+ and one H1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Eu3+ and one H1+ atom.

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Materials Data on Eu(ErS2)2 by Materials Project

Eu(ErS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent S2- atoms to form distorted ErS8 hexagonal bipyramids that share corners with four equivalent ErS8 hexagonal bipyramids, corners with four equivalent EuS8 hexagonal bipyramids, edges with four equivalent ErS8 hexagonal bipyramids, faces with four equivalent ErS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–3.05 Å. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent ErS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent ErS8 hexagonal bipyramids. There are four shorter (2.88 Å) and four longer (3.05 Å) Eu–S bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent Eu2+ atoms.

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Materials Data on Eu(Ni3S4)2 by Materials Project

Eu(Ni3S4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.77–3.06 Å. There are six inequivalent Ni+2.17+ sites. In the first Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. In the second Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. In the third Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. In the fourth Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. In the fifth Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. In the sixth Ni+2.17+ site, Ni+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing NiS5 trigonal bipyramids. There are a spread of Ni–S bond distances ranging from 2.21–2.32 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Eu3+ and four Ni+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Eu3+ and four Ni+2.17+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to one Eu3+ and three Ni+2.17+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Eu3+ and four Ni+2.17+ atoms. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to one Eu3+ and four Ni+2.17+ atoms. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to one Eu3+ and four Ni+2.17+ atoms.

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Materials Data on Eu(NiAs)2 by Materials Project

Eu(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Eu–As bond lengths are 3.20 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.71 Å.

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Materials Data on Eu(Ni5P3)2 by Materials Project

Eu(Ni5P3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to eight P3- atoms. There are a spread of Eu–P bond distances ranging from 3.16–3.58 Å. There are seven inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.18–2.36 Å. In the second Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.33 Å. In the third Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.21–2.31 Å. In the fourth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are three shorter (2.25 Å) and one longer (2.47 Å) Ni–P bond lengths. In the fifth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.26–2.40 Å. In the sixth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted corner and edge-sharing NiP4 trigonal pyramids. There are a spread of Ni–P bond distances ranging from 2.32–2.60 Å. In the seventh Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.17–2.30 Å. There are five inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and six Ni+1.60+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms. In the fourth P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ atoms. In the fifth P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ atoms.

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Materials Data on Eu(CuO2)2 by Materials Project

Eu(CuO2)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.49 Å. Cu+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.88 Å) and two longer (1.90 Å) Cu–O bond length. O2- is bonded to two equivalent Eu3+ and two equivalent Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OEu2Cu2 tetrahedra.

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Materials Data on Eu(ZnAs)2 by Materials Project

Eu(ZnAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent As3- atoms to form EuAs6 octahedra that share corners with twelve equivalent ZnAs4 tetrahedra, edges with six equivalent EuAs6 octahedra, and edges with six equivalent ZnAs4 tetrahedra. All Eu–As bond lengths are 3.09 Å. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent EuAs6 octahedra, corners with six equivalent ZnAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, and edges with three equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–53°. There are three shorter (2.56 Å) and one longer (2.62 Å) Zn–As bond lengths. As3- is bonded to three equivalent Eu2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing AsEu3Zn4 pentagonal bipyramids.

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Materials Data on Eu(DyS2)2 by Materials Project

Eu(DyS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Dy–S bond distances ranging from 2.71–2.76 Å. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing DyS6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are a spread of Dy–S bond distances ranging from 2.68–2.78 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.04–3.30 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the second S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing SEu2Dy3 square pyramids. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the fourth S2- site, S2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing SEu2Dy3 trigonal bipyramids.

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Materials Data on Eu(MgP)2 by Materials Project

Eu(MgP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent P3- atoms to form MgP4 tetrahedra that share corners with six equivalent EuP6 octahedra, corners with six equivalent MgP4 tetrahedra, edges with three equivalent EuP6 octahedra, and edges with three equivalent MgP4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–53°. There are three shorter (2.62 Å) and one longer (2.69 Å) Mg–P bond lengths. Eu2+ is bonded to six equivalent P3- atoms to form EuP6 octahedra that share corners with twelve equivalent MgP4 tetrahedra, edges with six equivalent EuP6 octahedra, and edges with six equivalent MgP4 tetrahedra. All Eu–P bond lengths are 3.12 Å. P3- is bonded in a 7-coordinate geometry to four equivalent Mg2+ and three equivalent Eu2+ atoms.

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