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DOE OSTI2020

Materials Data on Eu2GeO5 by Materials Project

Eu2GeO5 crystallizes in the monoclinic P2_1/c 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 2.29–2.62 Å. In the second Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.75 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.74–1.81 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Eu3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Eu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Eu3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4Eu(PS4)2 by Materials Project

K4Eu(PS4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.52 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.82 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.56 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.30–3.85 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.53 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.87 Å. In the seventh K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.83 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.15–3.53 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.11–3.16 Å. In the second Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with two equivalent EuS8 hexagonal bipyramids and edges with four PS4 tetrahedra. There are a spread of Eu–S bond distances ranging from 3.08–3.17 Å. There are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the third P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. In the fourth P5+ site, P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two EuS8 hexagonal bipyramids. There are a spread of P–S bond distances ranging from 2.04–2.08 Å. There are sixteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the seventh S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eighth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the ninth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the tenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the eleventh S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+, two Eu2+, and one P5+ atom. In the thirteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fourteenth S2- site, S2- is bonded in a 1-coordinate geometry to four K1+, one Eu2+, and one P5+ atom. In the fifteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom. In the sixteenth S2- site, S2- is bonded in a 1-coordinate geometry to five K1+ and one P5+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on LiEuPS4 by Materials Project

LiEuPS4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Li–S bond lengths. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to eight S2- atoms to form distorted EuS8 hexagonal bipyramids that share edges with four equivalent PS4 tetrahedra. All Eu–S bond lengths are 3.13 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.07 Å) and four longer (3.21 Å) Eu–S bond lengths. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two equivalent EuS8 hexagonal bipyramids. There are two shorter (2.06 Å) and two longer (2.07 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one Li1+, two Eu2+, and one P5+ atom to form a mixture of distorted edge and corner-sharing SLiEu2P trigonal pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Li1+, two Eu2+, and one P5+ atom.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2Nb4O13 by Materials Project

Eu2Nb4O13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.24–2.54 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.57 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.16 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.95–2.16 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.96–2.15 Å. In the fourth Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.49 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Eu3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Eu3+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to one Eu3+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to one Eu3+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Zr2O7 by Materials Project

Eu2Zr2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are two shorter (2.30 Å) and four longer (2.35 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.37 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.18–2.47 Å. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.19–2.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Zr4+ atom to form a mixture of edge and corner-sharing OEu3Zr tetrahedra. In the second O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OEu3Zr tetrahedra and edges with six OEu2Zr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form OEu2Zr2 tetrahedra that share corners with fourteen OEu3Zr tetrahedra and edges with five OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Eu3+ and three Zr4+ atoms to form a mixture of edge and corner-sharing OEuZr3 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OEu2Zr2 tetrahedra.

36 MATERIALS SCIENCE↗
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Materials Data on KEu2CuS6 by Materials Project

KEu2CuS6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight S1- atoms. There are a spread of K–S bond distances ranging from 3.27–3.50 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S1- atoms. There are a spread of Eu–S bond distances ranging from 2.85–3.02 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S1- atoms. There are a spread of Eu–S bond distances ranging from 2.78–3.10 Å. Cu1+ is bonded in a tetrahedral geometry to four S1- atoms. There are two shorter (2.22 Å) and two longer (2.36 Å) Cu–S bond lengths. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded to four Eu2+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SEu4Cu trigonal bipyramids. In the second S1- site, S1- is bonded in a 1-coordinate geometry to two equivalent K1+, two Eu2+, one Cu1+, and one S1- atom. The S–S bond length is 2.07 Å. In the third S1- site, S1- is bonded in a 5-coordinate geometry to two equivalent K1+, two Eu2+, and one S1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Si3Ni8 by Materials Project

Eu2(Ni2Si)3(Ni)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional and consists of eight nickel molecules and one Eu2(Ni2Si)3 framework. In the Eu2(Ni2Si)3 framework, Eu2+ is bonded in a distorted single-bond geometry to two equivalent Ni1+ and one Si4- atom. Both Eu–Ni bond lengths are 2.79 Å. The Eu–Si bond length is 2.83 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 2-coordinate geometry to one Eu2+ and two equivalent Si4- atoms. There are one shorter (2.32 Å) and one longer (2.33 Å) Ni–Si bond lengths. In the second Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.18–2.55 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Ni1+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to two equivalent Eu2+ and four equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuTi2CdO6F by Materials Project

EuTi2CdO6F crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Eu3+ is bonded to six O2- and two equivalent F1- atoms to form distorted EuO6F2 hexagonal bipyramids that share edges with two equivalent EuO6F2 hexagonal bipyramids, edges with four equivalent CdO6F2 hexagonal bipyramids, and edges with six TiO6 octahedra. There are four shorter (2.51 Å) and two longer (2.55 Å) Eu–O bond lengths. Both Eu–F bond lengths are 2.28 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent CdO6F2 hexagonal bipyramids, and edges with four equivalent EuO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–49°. There is two shorter (1.97 Å) and four longer (1.98 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent EuO6F2 hexagonal bipyramids, and edges with four equivalent CdO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–47°. There is four shorter (1.98 Å) and two longer (2.00 Å) Ti–O bond length. Cd2+ is bonded to six O2- and two equivalent F1- atoms to form distorted CdO6F2 hexagonal bipyramids that share edges with two equivalent CdO6F2 hexagonal bipyramids, edges with four equivalent EuO6F2 hexagonal bipyramids, and edges with six TiO6 octahedra. There are two shorter (2.54 Å) and four longer (2.59 Å) Cd–O bond lengths. Both Cd–F bond lengths are 2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Eu3+, two Ti4+, and one Cd2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Cd2+ atoms. F1- is bonded to two equivalent Eu3+ and two equivalent Cd2+ atoms to form corner-sharing FEu2Cd2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2SeO2 by Materials Project

Eu2SeO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Eu–Se bond lengths are 3.43 Å. All Eu–O bond lengths are 2.29 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent Eu3+ atoms. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaEu2O3 by Materials Project

CaEu2O3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with two equivalent CaO6 octahedra, and edges with ten EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ca–O bond distances ranging from 2.45–2.52 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Eu–O bond distances ranging from 2.50–2.57 Å. In the second Eu2+ site, Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with two equivalent CaO6 octahedra, corners with four EuO6 octahedra, edges with five equivalent CaO6 octahedra, and edges with seven EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are four shorter (2.51 Å) and two longer (2.55 Å) Eu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the second O2- site, O2- is bonded to two equivalent Ca2+ and four Eu2+ atoms to form a mixture of edge and corner-sharing OCa2Eu4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuAgO2 by Materials Project

EuAgO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing EuO6 octahedra. All Eu–O bond lengths are 2.37 Å. In the second Eu3+ site, Eu3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing EuO6 octahedra. All Eu–O bond lengths are 2.37 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Ag–O bond lengths. O2- is bonded to three equivalent Eu3+ and one Ag1+ atom to form a mixture of corner and edge-sharing OEu3Ag tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3NbO7 by Materials Project

Eu3NbO7 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 NbO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Eu–O bond distances ranging from 2.26–2.80 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.67 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrEu4O5 by Materials Project

SrEu4O5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with two equivalent SrO6 octahedra, corners with four equivalent EuO6 octahedra, and edges with twelve equivalent EuO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.56 Å) and four longer (2.60 Å) Sr–O bond lengths. Eu2+ is bonded to six O2- atoms to form EuO6 octahedra that share a cornercorner with one SrO6 octahedra, corners with five equivalent EuO6 octahedra, edges with three equivalent SrO6 octahedra, and edges with nine equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Eu–O bond distances ranging from 2.51–2.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Eu2+ atoms to form OSr2Eu4 octahedra that share corners with six OSr2Eu4 octahedra and edges with twelve OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fourth O2- site, O2- is bonded to one Sr2+ and five equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OSrEu5 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of O–Eu bond distances ranging from 2.51–2.56 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2Al2O5 by Materials Project

Eu2Al2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.55 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent AlO5 square pyramids. There are four shorter (2.67 Å) and eight longer (2.81 Å) Eu–O bond lengths. Al3+ is bonded to five O2- atoms to form AlO5 square pyramids that share corners with five equivalent AlO5 square pyramids and faces with four equivalent EuO12 cuboctahedra. There is one shorter (1.82 Å) and four longer (1.91 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Eu2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2SiO5 by Materials Project

Eu2SiO5 crystallizes in the orthorhombic Pnma 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 2.32–2.73 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 hexagonal pyramids that share a cornercorner with one SiO5 trigonal bipyramid, edges with four equivalent EuO7 hexagonal pyramids, and edges with two equivalent SiO5 trigonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.34–2.54 Å. Si4+ is bonded to five O2- atoms to form distorted SiO5 trigonal bipyramids that share a cornercorner with one EuO7 hexagonal pyramid, corners with two equivalent SiO5 trigonal bipyramids, and edges with two equivalent EuO7 hexagonal pyramids. There are a spread of Si–O bond distances ranging from 1.64–1.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Eu3+ and one Si4+ atom. In the third O2- site, O2- is bonded to three Eu3+ and one Si4+ atom to form distorted OEu3Si tetrahedra that share corners with eight OEu4 tetrahedra and edges with three OEu3Si tetrahedra. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Eu3+ and two equivalent Si4+ atoms. In the fifth O2- site, O2- is bonded to three Eu3+ and one Si4+ atom to form distorted OEu3Si tetrahedra that share corners with eight OEu4 tetrahedra and edges with two equivalent OEu3Si tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2SiO5 by Materials Project

Eu2SiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form distorted EuO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent EuO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.30–2.38 Å. In the second 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 2.31–2.72 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–68°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Eu3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Eu3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded to four Eu3+ atoms to form distorted edge-sharing OEu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2H3Br by Materials Project

Eu2H3Br crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Eu–H bond distances ranging from 2.37–2.71 Å. All Eu–Br bond lengths are 3.25 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent BrEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 36–46°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent BrEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent BrEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent BrEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2H3Cl by Materials Project

Eu2H3Cl crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded in a 4-coordinate geometry to seven H1- and three equivalent Cl1- atoms. There are a spread of Eu–H bond distances ranging from 2.35–2.70 Å. All Eu–Cl bond lengths are 3.10 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Eu2+ atoms to form HEu4 trigonal pyramids that share corners with three equivalent HEu6 octahedra, corners with six equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with three equivalent ClEu6 octahedra, edges with three equivalent HEu4 trigonal pyramids, and faces with three equivalent HEu6 octahedra. The corner-sharing octahedra tilt angles range from 33–48°. In the second H1- site, H1- is bonded to six equivalent Eu2+ atoms to form HEu6 octahedra that share corners with twelve equivalent ClEu6 octahedra, corners with six equivalent HEu4 trigonal pyramids, edges with six equivalent HEu6 octahedra, faces with two equivalent ClEu6 octahedra, and faces with six equivalent HEu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Cl1- is bonded to six equivalent Eu2+ atoms to form ClEu6 octahedra that share corners with twelve equivalent HEu6 octahedra, corners with twelve equivalent HEu4 trigonal pyramids, edges with six equivalent ClEu6 octahedra, edges with six equivalent HEu4 trigonal pyramids, and faces with two equivalent HEu6 octahedra. The corner-sharing octahedral tilt angles are 49°.

36 MATERIALS SCIENCE↗