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DOE OSTI2020

Materials Data on Eu(MgH3)2 by Materials Project

EuMg2H6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six H1- atoms. There are a spread of Mg–H bond distances ranging from 1.80–2.22 Å. Eu2+ is bonded to twelve H1- atoms to form a mixture of corner and face-sharing EuH12 cuboctahedra. There are eight shorter (2.52 Å) and four longer (2.65 Å) Eu–H bond lengths. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent Eu2+ atoms. In the second H1- site, H1- is bonded to two equivalent Mg2+ and four equivalent Eu2+ atoms to form a mixture of corner and edge-sharing HEu4Mg2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third H1- site, H1- is bonded in a linear geometry to two equivalent Mg2+ atoms.

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Materials Data on Eu(DySe2)2 by Materials Project

EuDy2Se4 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 Se2- atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–Se bond distances ranging from 2.81–2.90 Å. In the second Dy3+ site, Dy3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing DySe6 octahedra. The corner-sharing octahedra tilt angles range from 48–65°. There are a spread of Dy–Se bond distances ranging from 2.84–2.89 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.19–3.44 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Dy3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded to three equivalent Dy3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Dy3 square pyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Eu2+ atoms.

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Materials Data on Eu(LuSe2)2 by Materials Project

EuLu2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing LuSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Lu–Se bond distances ranging from 2.78–2.84 Å. In the second Lu3+ site, Lu3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing LuSe6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are a spread of Lu–Se bond distances ranging from 2.76–2.84 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.15–3.40 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Lu3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Lu3+ and two equivalent Eu2+ atoms. In the third Se2- site, Se2- is bonded to three equivalent Lu3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Lu3 square pyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Eu2+ atoms.

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Materials Data on Eu(AsPd)2 by Materials Project

EuPd2As2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu2+ is bonded to eight As3- atoms to form EuAs8 hexagonal bipyramids that share corners with sixteen PdAs4 tetrahedra, edges with four equivalent EuAs8 hexagonal bipyramids, edges with eight PdAs4 tetrahedra, and faces with four equivalent EuAs8 hexagonal bipyramids. There are a spread of Eu–As bond distances ranging from 3.33–3.49 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent EuAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent EuAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. There are a spread of Pd–As bond distances ranging from 2.54–2.58 Å. In the second Pd2+ site, Pd2+ is bonded to four As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent EuAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent EuAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. There are a spread of Pd–As bond distances ranging from 2.54–2.59 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pd2+, and one As3- atom. The As–As bond length is 2.57 Å. In the second As3- site, As3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pd2+, and one As3- atom.

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Materials Data on Eu(CoSi)2 by Materials Project

EuCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Eu–Si bond lengths are 3.10 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.66 Å.

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Materials Data on Eu(GdS2)2 by Materials Project

EuGd2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent S2- atoms to form distorted GdS8 hexagonal bipyramids that share corners with four equivalent GdS8 hexagonal bipyramids, corners with four equivalent EuS8 hexagonal bipyramids, edges with four equivalent GdS8 hexagonal bipyramids, faces with four equivalent GdS8 hexagonal bipyramids, and faces with four equivalent EuS8 hexagonal bipyramids. There are a spread of Gd–S bond distances ranging from 2.80–3.04 Å. Eu2+ is bonded to eight equivalent S2- atoms to form distorted EuS8 hexagonal bipyramids that share corners with eight equivalent GdS8 hexagonal bipyramids, edges with four equivalent EuS8 hexagonal bipyramids, and faces with eight equivalent GdS8 hexagonal bipyramids. There are four shorter (2.89 Å) and four longer (3.05 Å) Eu–S bond lengths. S2- is bonded to four equivalent Gd3+ and two equivalent Eu2+ atoms to form a mixture of distorted face, edge, and corner-sharing SEu2Gd4 octahedra. The corner-sharing octahedra tilt angles range from 16–51°.

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Materials Data on Eu(SiPt)2 by Materials Project

EuPt2Si2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Eu2+ is bonded to eight Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with sixteen PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with eight PtSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. There are a spread of Eu–Si bond distances ranging from 3.24–3.29 Å. There are two inequivalent Pt3+ sites. In the first Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Pt–Si bond lengths. In the second Pt3+ site, Pt3+ is bonded to four Si4- atoms to form PtSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PtSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.49 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pt3+, and one Si4- atom. The Si–Si bond length is 2.46 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four Pt3+, and one Si4- atom.

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Materials Data on Eu(GaS2)2 by Materials Project

EuGa2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.10 Å) and four longer (3.14 Å) Eu–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.29–2.33 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SEu2Ga2 trigonal pyramids.

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Materials Data on Eu(AsPd)2 by Materials Project

EuPd2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent As3- atoms to form EuAs8 hexagonal bipyramids that share corners with sixteen equivalent PdAs4 tetrahedra, edges with four equivalent EuAs8 hexagonal bipyramids, edges with eight equivalent PdAs4 tetrahedra, and faces with four equivalent EuAs8 hexagonal bipyramids. All Eu–As bond lengths are 3.34 Å. Pd2+ is bonded to four equivalent As3- atoms to form PdAs4 tetrahedra that share corners with eight equivalent EuAs8 hexagonal bipyramids, corners with four equivalent PdAs4 tetrahedra, edges with four equivalent EuAs8 hexagonal bipyramids, and edges with four equivalent PdAs4 tetrahedra. All Pd–As bond lengths are 2.56 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Pd2+, and one As3- atom. The As–As bond length is 2.51 Å.

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Materials Data on Eu(Ag2Sb)2 by Materials Project

EuAg4Sb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Sb3- atoms to form edge-sharing EuSb6 octahedra. All Eu–Sb bond lengths are 3.31 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 1-coordinate geometry to six Ag1+ and four equivalent Sb3- atoms. There are three shorter (2.95 Å) and three longer (3.02 Å) Ag–Ag bond lengths. There are one shorter (2.88 Å) and three longer (3.23 Å) Ag–Sb bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three equivalent Ag1+ and three equivalent Sb3- atoms. All Ag–Sb bond lengths are 2.84 Å. Sb3- is bonded in a 10-coordinate geometry to three equivalent Eu2+ and seven Ag1+ atoms.

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Materials Data on Eu(AsPt)2 by Materials Project

EuPt2As2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.38 Å) and four longer (3.43 Å) Eu–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 8-coordinate geometry to four equivalent Eu2+ and four equivalent As1+ atoms. All Pt–As bond lengths are 2.61 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Eu2+ and five As1+ atoms. There are one shorter (2.49 Å) and four longer (2.55 Å) Pt–As bond lengths. There are two inequivalent As1+ sites. In the first As1+ site, As1+ is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing AsPt4 tetrahedra. In the second As1+ site, As1+ is bonded in a 5-coordinate geometry to five Pt2- atoms.

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Materials Data on Eu(Mo3Se4)2 by Materials Project

EuMo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.94 Å) and six longer (3.19 Å) Eu–Se bond lengths. Mo+2.33+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.79 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Eu2+ and three equivalent Mo+2.33+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Eu2+ and four equivalent Mo+2.33+ atoms.

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Materials Data on Eu(ErSe2)2 by Materials Project

EuEr2Se4 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 Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.79–2.87 Å. In the second Er3+ site, Er3+ is bonded to six Se2- atoms to form a mixture of corner and edge-sharing ErSe6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Er–Se bond distances ranging from 2.81–2.88 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.18–3.42 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the second Se2- site, Se2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form distorted edge-sharing SeEu2Er3 square pyramids. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Eu2+ atoms.

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Materials Data on Eu(P3Ru)4 by Materials Project

EuRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Eu2+ is bonded to twelve equivalent P1- atoms to form EuP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All Eu–P bond lengths are 3.13 Å. Ru+2.50+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent EuP12 cuboctahedra. The corner-sharing octahedral tilt angles are 63°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one Eu2+, two equivalent Ru+2.50+, and two equivalent P1- atoms. There are one shorter (2.29 Å) and one longer (2.32 Å) P–P bond lengths.

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Materials Data on Eu(AlS2)2 by Materials Project

EuAl2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.10 Å) and four longer (3.14 Å) Eu–S bond lengths. Al3+ is bonded to four S2- atoms to form edge-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two equivalent Al3+ atoms. In the second S2- site, S2- is bonded to two equivalent Eu2+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SEu2Al2 trigonal pyramids.

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Materials Data on Eu(GaSe2)2 by Materials Project

EuGa2Se4 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 (3.26 Å) and four longer (3.29 Å) Eu–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.45–2.48 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 Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeEu2Ga2 trigonal pyramids.

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Materials Data on Eu(ZnSb)2 by Materials Project

EuZn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent Sb3- atoms to form EuSb6 octahedra that share corners with twelve equivalent ZnSb4 tetrahedra, edges with six equivalent EuSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Eu–Sb bond lengths are 3.29 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent EuSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent EuSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are three shorter (2.74 Å) and one longer (2.81 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Eu2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbEu3Zn4 pentagonal bipyramids.

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