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DOE OSTI2020

Materials Data on EuAgP by Materials Project

EuAgP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Ag1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing EuAg6P6 cuboctahedra. All Eu–Ag bond lengths are 3.24 Å. All Eu–P bond lengths are 3.24 Å. Ag1+ is bonded in a distorted trigonal planar geometry to six equivalent Eu2+ and three equivalent P3- atoms. All Ag–P bond lengths are 2.54 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Ag1+ atoms.

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Materials Data on EuAsPt by Materials Project

EuPtAs is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Eu3+ is bonded to six equivalent Pt2- and six equivalent As1- atoms to form a mixture of edge and face-sharing EuAs6Pt6 cuboctahedra. There are four shorter (3.26 Å) and two longer (3.30 Å) Eu–Pt bond lengths. There are four shorter (3.25 Å) and two longer (3.32 Å) Eu–As bond lengths. Pt2- is bonded in a 9-coordinate geometry to six equivalent Eu3+ and three equivalent As1- atoms. All Pt–As bond lengths are 2.49 Å. As1- is bonded in a 9-coordinate geometry to six equivalent Eu3+ and three equivalent Pt2- atoms.

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Materials Data on EuSbPt by Materials Project

EuPtSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu3+ is bonded in a 12-coordinate geometry to six equivalent Pt2- and six equivalent Sb1- atoms. There are a spread of Eu–Pt bond distances ranging from 3.18–3.49 Å. There are a spread of Eu–Sb bond distances ranging from 3.25–3.43 Å. Pt2- is bonded in a 10-coordinate geometry to six equivalent Eu3+ and four equivalent Sb1- atoms. There are a spread of Pt–Sb bond distances ranging from 2.73–2.88 Å. Sb1- is bonded in a 10-coordinate geometry to six equivalent Eu3+ and four equivalent Pt2- atoms.

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Materials Data on Eu2SO2 by Materials Project

Eu2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Eu–S bond lengths are 2.97 Å. There are three shorter (2.34 Å) and one longer (2.39 Å) Eu–O bond lengths. S2- is bonded to six equivalent Eu3+ atoms to form distorted SEu6 octahedra that share corners with twelve equivalent OEu4 tetrahedra, edges with six equivalent SEu6 octahedra, and edges with six equivalent OEu4 tetrahedra. O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with six equivalent SEu6 octahedra, corners with six equivalent OEu4 tetrahedra, edges with three equivalent SEu6 octahedra, and edges with three equivalent OEu4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.

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Materials Data on EuAgAs by Materials Project

EuAgAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Ag1+ and six equivalent As3- atoms to form a mixture of edge and face-sharing EuAg6As6 cuboctahedra. All Eu–Ag bond lengths are 3.33 Å. All Eu–As bond lengths are 3.33 Å. Ag1+ is bonded in a trigonal planar geometry to six equivalent Eu2+ and three equivalent As3- atoms. All Ag–As bond lengths are 2.63 Å. As3- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Ag1+ atoms.

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Materials Data on EuCuSF by Materials Project

EuCuSF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent F1- atoms. All Eu–S bond lengths are 3.09 Å. All Eu–F bond lengths are 2.48 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.42 Å. S2- is bonded in a 12-coordinate geometry to four equivalent Eu2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing FEu4 tetrahedra.

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Materials Data on EuCuSeF by Materials Project

EuCuSeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent F1- atoms. All Eu–Se bond lengths are 3.19 Å. All Eu–F bond lengths are 2.51 Å. Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.53 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Eu2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Eu2+ atoms to form a mixture of corner and edge-sharing FEu4 tetrahedra.

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Materials Data on Eu3AuO6 by Materials Project

Eu3AuO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.31–2.62 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form distorted edge-sharing EuO6 octahedra. There are four shorter (2.37 Å) and two longer (2.38 Å) Eu–O bond lengths. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.04 Å) Au–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Eu3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OEu3Au trigonal pyramids. In the second O2- site, O2- is bonded to three Eu3+ and one Au3+ atom to form OEu3Au tetrahedra that share corners with eight OEu3Au tetrahedra, corners with four equivalent OEu3Au trigonal pyramids, edges with two equivalent OEu4 tetrahedra, and edges with two equivalent OEu3Au trigonal pyramids. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.

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Materials Data on Eu2Si2O7 by Materials Project

Eu2Si2O7 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with three equivalent EuO7 pentagonal bipyramids, corners with four SiO4 tetrahedra, edges with two equivalent EuO7 pentagonal bipyramids, and edges with two SiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.32–2.63 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with three equivalent EuO7 pentagonal bipyramids, corners with four SiO4 tetrahedra, edges with two equivalent EuO7 pentagonal bipyramids, and edges with two SiO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.32–2.63 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four EuO7 pentagonal bipyramids, a cornercorner with one SiO4 tetrahedra, and edges with two EuO7 pentagonal bipyramids. There is three shorter (1.63 Å) and one longer (1.68 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four EuO7 pentagonal bipyramids, a cornercorner with one SiO4 tetrahedra, and edges with two EuO7 pentagonal bipyramids. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Eu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Eu3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Eu3+ and two Si4+ atoms.

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Materials Data on EuC2(SN)2 by Materials Project

EuC2(NS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Eu–N bond lengths. There are two shorter (3.13 Å) and two longer (3.24 Å) Eu–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom.

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Materials Data on Eu2C(NO)2 by Materials Project

Eu2C(NO)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent O2- atoms. All Eu–N bond lengths are 2.66 Å. There are three shorter (2.32 Å) and one longer (2.36 Å) Eu–O bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Eu3+ and one C4+ atom. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra.

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Materials Data on EuOF by Materials Project

EuOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.32 Å) and three longer (2.37 Å) Eu–O bond lengths. There are three shorter (2.50 Å) and one longer (2.52 Å) Eu–F bond lengths. O2- is bonded to four equivalent Eu3+ atoms to form distorted OEu4 tetrahedra that share corners with six equivalent OEu4 tetrahedra, corners with ten equivalent FEu4 tetrahedra, edges with three equivalent OEu4 tetrahedra, and edges with three equivalent FEu4 tetrahedra. F1- is bonded to four equivalent Eu3+ atoms to form distorted FEu4 tetrahedra that share corners with six equivalent FEu4 tetrahedra, corners with ten equivalent OEu4 tetrahedra, edges with three equivalent OEu4 tetrahedra, and edges with three equivalent FEu4 tetrahedra.

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Materials Data on Eu3RuO7 by Materials Project

Eu3RuO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent RuO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent RuO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There are a spread of Eu–O bond distances ranging from 2.26–2.62 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.74 Å) Eu–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with two equivalent RuO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. There is four shorter (1.94 Å) and two longer (1.99 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ru5+ atoms. In the second O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Ru5+ atom.

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Materials Data on EuSbAu by Materials Project

EuAuSb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Au1+ and six equivalent Sb3- atoms to form a mixture of face and edge-sharing EuSb6Au6 cuboctahedra. All Eu–Au bond lengths are 3.45 Å. All Eu–Sb bond lengths are 3.45 Å. Au1+ is bonded in a distorted trigonal planar geometry to six equivalent Eu2+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.74 Å. Sb3- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Au1+ atoms.

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Materials Data on Eu2SiS4 by Materials Project

Eu2SiS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.92–3.48 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.44 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. All Si–S bond lengths are 2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four Eu2+ and one Si4+ atom to form a mixture of distorted face, edge, and corner-sharing SEu4Si square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Eu2+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Eu2+ and one Si4+ atom.

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Materials Data on EuPAu by Materials Project

EuAuP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Au1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing EuP6Au6 cuboctahedra. All Eu–Au bond lengths are 3.25 Å. All Eu–P bond lengths are 3.25 Å. Au1+ is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent P3- atoms. All Au–P bond lengths are 2.50 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Eu2+ and three equivalent Au1+ atoms.

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Materials Data on EuBr2 by Materials Project

EuBr2 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are four shorter (3.15 Å) and four longer (3.16 Å) Eu–Br bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Eu–Br bond distances ranging from 3.12–3.58 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing BrEu4 tetrahedra. In the second Br1- site, Br1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing BrEu4 tetrahedra. In the third Br1- site, Br1- is bonded to four Eu2+ atoms to form a mixture of distorted edge and corner-sharing BrEu4 trigonal pyramids. In the fourth Br1- site, Br1- is bonded in a 4-coordinate geometry to four Eu2+ atoms.

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Materials Data on RbEu2I5 by Materials Project

RbEu2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–4.38 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Eu–I bond distances ranging from 3.37–3.61 Å. In the second Eu2+ site, Eu2+ is bonded to seven I1- atoms to form distorted edge-sharing EuI7 pentagonal bipyramids. There are a spread of Eu–I bond distances ranging from 3.26–3.49 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 trigonal bipyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IEu4 trigonal pyramids, and a faceface with one IRb2Eu3 square pyramid. In the second I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Eu2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Eu2+ atoms to form distorted IRb2Eu3 square pyramids that share corners with four equivalent IRb2Eu3 trigonal bipyramids, corners with four equivalent IEu4 trigonal pyramids, edges with two equivalent IRb2Eu3 square pyramids, an edgeedge with one IRb2Eu3 trigonal bipyramid, an edgeedge with one IEu4 trigonal pyramid, and a faceface with one IRb2Eu3 trigonal bipyramid. In the fourth I1- site, I1- is bonded to four Eu2+ atoms to form distorted IEu4 trigonal pyramids that share corners with four equivalent IRb2Eu3 square pyramids, corners with two equivalent IRb2Eu3 trigonal bipyramids, corners with two equivalent IEu4 trigonal pyramids, an edgeedge with one IRb2Eu3 square pyramid, edges with two equivalent IRb2Eu3 trigonal bipyramids, and an edgeedge with one IEu4 trigonal pyramid. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two equivalent Eu2+ atoms.

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