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DOE OSTI2020

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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Materials Data on Eu(InSe2)2 by Materials Project

Eu(InSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.30 Å) and four longer (3.39 Å) Eu–Se bond lengths. In3+ is bonded to four Se2- atoms to form edge-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.61–2.66 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent In3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2In2 trigonal pyramids.

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Materials Data on Eu(CdAs)2 by Materials Project

Eu(CdAs)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 CdAs4 tetrahedra, edges with six equivalent EuAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Eu–As bond lengths are 3.15 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent EuAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.75 Å) and one longer (2.86 Å) Cd–As bond lengths. As3- is bonded to three equivalent Eu2+ and four equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing AsEu3Cd4 pentagonal bipyramids.

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Materials Data on Eu(SbS2)2 by Materials Project

Eu(SbS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.95–3.41 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with three equivalent SbS7 pentagonal bipyramids, edges with four equivalent SbS6 octahedra, and edges with two equivalent SbS7 pentagonal bipyramids. There are a spread of Sb–S bond distances ranging from 2.55–3.13 Å. In the second Sb3+ site, Sb3+ is bonded to seven S2- atoms to form distorted SbS7 pentagonal bipyramids that share corners with three equivalent SbS6 octahedra, edges with two equivalent SbS6 octahedra, and edges with four equivalent SbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 5–50°. There are a spread of Sb–S bond distances ranging from 2.67–2.99 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Eu2+ and four Sb3+ atoms to form distorted SEu2Sb4 octahedra that share corners with four equivalent SEu2Sb3 square pyramids, corners with three equivalent SEu2Sb3 trigonal bipyramids, edges with four equivalent SEu2Sb4 octahedra, edges with three equivalent SEu2Sb3 trigonal bipyramids, and a faceface with one SEu2Sb3 square pyramid. In the second S2- site, S2- is bonded to two equivalent Eu2+ and three Sb3+ atoms to form distorted SEu2Sb3 trigonal bipyramids that share corners with three equivalent SEu2Sb4 octahedra, corners with six equivalent SEu2Sb3 square pyramids, edges with three equivalent SEu2Sb4 octahedra, edges with two equivalent SEu2Sb3 square pyramids, and edges with two equivalent SEu2Sb3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 3–25°. In the third S2- site, S2- is bonded to two equivalent Eu2+ and three equivalent Sb3+ atoms to form distorted SEu2Sb3 square pyramids that share corners with four equivalent SEu2Sb4 octahedra, corners with six equivalent SEu2Sb3 trigonal bipyramids, edges with four equivalent SEu2Sb3 square pyramids, edges with two equivalent SEu2Sb3 trigonal bipyramids, and a faceface with one SEu2Sb4 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Sb3+ atoms.

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Materials Data on Eu(MgAs)2 by Materials Project

Eu(MgAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with six equivalent EuAs6 octahedra, corners with six equivalent MgAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, and edges with three equivalent MgAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.68 Å) and one longer (2.74 Å) Mg–As bond lengths. Eu2+ is bonded to six equivalent As3- atoms to form EuAs6 octahedra that share corners with twelve equivalent MgAs4 tetrahedra, edges with six equivalent EuAs6 octahedra, and edges with six equivalent MgAs4 tetrahedra. All Eu–As bond lengths are 3.17 Å. As3- is bonded to four equivalent Mg2+ and three equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing AsEu3Mg4 pentagonal bipyramids.

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Materials Data on Eu(AlSe2)2 by Materials Project

Eu(AlSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.25 Å) and four longer (3.28 Å) Eu–Se bond lengths. Al3+ is bonded to four Se2- atoms to form edge-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.41–2.44 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent Al3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2Al2 trigonal pyramids.

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Materials Data on Eu(BC)2 by Materials Project

Eu(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Eu–C bond lengths are 2.82 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.61 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Eu2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.41 Å.

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