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DOE OSTI2020

Materials Data on Eu(AsRu)2 by Materials Project

EuRu2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Eu–As bond lengths are 3.32 Å. Ru2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing RuAs4 tetrahedra. All Ru–As bond lengths are 2.44 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Ru2+, and one As3- atom. The As–As bond length is 2.92 Å.

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DOE OSTI2020

Materials Data on Eu(SiNi)2 by Materials Project

EuNi2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Eu–Si bond lengths are 3.13 Å. Ni+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.32 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, four equivalent Ni+2.50+, and one Si4- atom. The Si–Si bond length is 2.56 Å.

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Materials Data on Eu(SbPd)2 by Materials Project

EuPd2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.52 Å) and four longer (3.63 Å) Eu–Sb bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.70 Å. In the second Pd2+ site, Pd2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.62 Å) and four longer (2.71 Å) Pd–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Eu2+ and four equivalent Pd2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Eu2+ and five Pd2+ atoms.

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Materials Data on Eu(CoAs)2 by Materials Project

EuCo2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Eu–As bond lengths are 3.20 Å. Co2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CoAs4 tetrahedra. All Co–As bond lengths are 2.33 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Eu2+ and four equivalent Co2+ atoms.

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DOE OSTI2020

Materials Data on Eu(SiRu)2 by Materials Project

EuRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Eu–Si bond lengths are 3.30 Å. Ru3+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. Si4- is bonded in a 4-coordinate geometry to four equivalent Eu2+ and four equivalent Ru3+ atoms.

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Materials Data on Eu(PPd)2 by Materials Project

EuPd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu2+ is bonded to eight equivalent P3- atoms to form EuP8 hexagonal bipyramids that share corners with sixteen equivalent PdP4 tetrahedra, edges with four equivalent EuP8 hexagonal bipyramids, edges with eight equivalent PdP4 tetrahedra, and faces with four equivalent EuP8 hexagonal bipyramids. All Eu–P bond lengths are 3.17 Å. Pd2+ is bonded to four equivalent P3- atoms to form PdP4 tetrahedra that share corners with eight equivalent EuP8 hexagonal bipyramids, corners with four equivalent PdP4 tetrahedra, edges with four equivalent EuP8 hexagonal bipyramids, and edges with four equivalent PdP4 tetrahedra. All Pd–P bond lengths are 2.50 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Pd2+, and one P3- atom. The P–P bond length is 2.22 Å.

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Materials Data on Eu(MnSb)2 by Materials Project

EuMn2Sb2 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 MnSb4 tetrahedra, edges with six equivalent EuSb6 octahedra, and edges with six equivalent MnSb4 tetrahedra. All Eu–Sb bond lengths are 3.28 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with six equivalent EuSb6 octahedra, corners with six equivalent MnSb4 tetrahedra, edges with three equivalent EuSb6 octahedra, and edges with three equivalent MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–52°. There are three shorter (2.76 Å) and one longer (2.77 Å) Mn–Sb bond lengths. Sb3- is bonded to three equivalent Eu2+ and four equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing SbEu3Mn4 pentagonal bipyramids.

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Materials Data on Eu(FeSi)2 by Materials Project

EuFe2Si2 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 Si4- atoms. All Eu–Si bond lengths are 3.16 Å. Fe3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu2+, four equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.79 Å.

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Materials Data on Eu(Sb3Os)4 by Materials Project

Eu(OsSb3)4 is Upper Bainite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three europium molecules and one OsSb3 framework. In the OsSb3 framework, there are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six Sb+0.50+ atoms to form corner-sharing OsSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Os–Sb bond lengths are 2.72 Å. In the second Os2- site, Os2- is bonded to six equivalent Sb+0.50+ atoms to form corner-sharing OsSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Os–Sb bond lengths are 2.72 Å. There are two inequivalent Sb+0.50+ sites. In the first Sb+0.50+ site, Sb+0.50+ is bonded in a bent 120 degrees geometry to two Os2- atoms. In the second Sb+0.50+ site, Sb+0.50+ is bonded in a bent 120 degrees geometry to two equivalent Os2- atoms.

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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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DOE OSTI2020

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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