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DOE OSTI2020

Materials Data on EuClF by Materials Project

EuFCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. All Eu–Cl bond lengths are 3.10 Å. All Eu–F bond lengths are 2.52 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Eu2+ atoms. F1- is bonded to four equivalent Eu2+ atoms to form a mixture of edge and corner-sharing FEu4 tetrahedra.

36 MATERIALS SCIENCE↗
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Materials Data on Na2EuC(OF)3 by Materials Project

Na2Eu(CO3)F3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. There are one shorter (2.35 Å) and one longer (2.55 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.23–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to four O2- and two F1- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.80 Å. There are one shorter (2.32 Å) and one longer (2.39 Å) Na–F bond lengths. Eu3+ is bonded in a 9-coordinate geometry to three O2- and six F1- atoms. There are a spread of Eu–O bond distances ranging from 2.51–2.66 Å. There are a spread of Eu–F bond distances ranging from 2.39–2.47 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Eu3+, and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, two equivalent Eu3+, and one C4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one C4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two Na1+ and two equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Eu2 tetrahedra. In the second F1- site, F1- is bonded to two Na1+ and two equivalent Eu3+ atoms to form a mixture of distorted edge and corner-sharing FNa2Eu2 tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Eu3+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2I2O by Materials Project

Eu2OI2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Eu2+ is bonded in a distorted L-shaped geometry to two equivalent O2- and five equivalent I1- atoms. Both Eu–O bond lengths are 2.36 Å. There are a spread of Eu–I bond distances ranging from 3.37–3.67 Å. O2- is bonded to four equivalent Eu2+ atoms to form distorted edge-sharing OEu4 tetrahedra. I1- is bonded in a 5-coordinate geometry to five equivalent Eu2+ atoms.

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Materials Data on Ba4Eu4Zn3PtO15 by Materials Project

Ba4Eu4PtZn3O15 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form distorted BaO12 cuboctahedra that share faces with two equivalent PtO6 octahedra and faces with three equivalent ZnO4 tetrahedra. There are a spread of Ba–O bond distances ranging from 2.78–3.24 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.33 Å. There are two inequivalent Eu3+ sites. In the first 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 2.33–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to six equivalent O2- atoms to form distorted EuO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and faces with two equivalent EuO6 octahedra. There are three shorter (2.34 Å) and three longer (2.52 Å) Eu–O bond lengths. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with three equivalent ZnO4 tetrahedra and faces with two equivalent BaO12 cuboctahedra. There are three shorter (2.01 Å) and three longer (2.04 Å) Pt–O bond lengths. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share a cornercorner with one PtO6 octahedra, corners with two equivalent EuO6 octahedra, and a faceface with one BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 3–68°. There are a spread of Zn–O bond distances ranging from 1.93–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+, two equivalent Eu3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ba2+, two equivalent Eu3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to three Ba2+, two equivalent Eu3+, and one Pt4+ atom to form a mixture of distorted face and corner-sharing OBa3Eu2Pt octahedra. The corner-sharing octahedra tilt angles range from 2–62°. In the fourth O2- site, O2- is bonded to two Ba2+, two equivalent Eu3+, one Pt4+, and one Zn2+ atom to form a mixture of distorted face and corner-sharing OBa2Eu2ZnPt octahedra. The corner-sharing octahedra tilt angles range from 2–62°.

36 MATERIALS SCIENCE↗
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Materials Data on Eu3OsO7 by Materials Project

Eu3OsO7 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 in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.78 Å) Eu–O bond lengths. 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 2.28–2.86 Å. Os5+ is bonded to six O2- atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There is two shorter (1.92 Å) and four longer (1.93 Å) Os–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Os5+ 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 Os5+ atom.

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Materials Data on Ba2Eu2ZnPtO8 by Materials Project

Ba2Eu2PtZnO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.38 Å. In the second Ba2+ site, Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.67–3.34 Å. 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 PtO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent ZnO5 trigonal bipyramids, and a faceface with one PtO6 octahedra. The corner-sharing octahedral tilt angles are 9°. There are a spread of Eu–O bond distances ranging from 2.35–2.46 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share a cornercorner with one EuO7 pentagonal bipyramid, corners with two equivalent ZnO5 trigonal bipyramids, edges with five EuO7 pentagonal bipyramids, an edgeedge with one ZnO5 trigonal bipyramid, and a faceface with one PtO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.35–2.50 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share corners with two equivalent EuO7 pentagonal bipyramids, corners with three equivalent ZnO5 trigonal bipyramids, and faces with two EuO7 pentagonal bipyramids. There are a spread of Pt–O bond distances ranging from 2.03–2.07 Å. Zn2+ is bonded to five O2- atoms to form distorted ZnO5 trigonal bipyramids that share corners with three equivalent PtO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and edges with three EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 1–18°. There are a spread of Zn–O bond distances ranging from 1.98–2.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Ba2+, one Pt4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Ba2+, two Eu3+, and one Pt4+ atom. In the third O2- site, O2- is bonded to three Ba2+, two Eu3+, and one Pt4+ atom to form distorted OBa3Eu2Pt octahedra that share corners with eight OBa3Eu2Pt octahedra and faces with two equivalent OBa3EuZnPt octahedra. The corner-sharing octahedra tilt angles range from 3–62°. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+, three Eu3+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded to three Ba2+, one Eu3+, one Pt4+, and one Zn2+ atom to form distorted OBa3EuZnPt octahedra that share corners with five OBa3Eu2Pt octahedra, an edgeedge with one OBa3EuZnPt octahedra, and faces with three OBa3Eu2Pt octahedra. The corner-sharing octahedra tilt angles range from 54–64°.

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Materials Data on LiEu2CBr3N2 by Materials Project

LiEu2CN2Br3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Br1- atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Li–Br bond lengths are 2.79 Å. Eu2+ is bonded in a 6-coordinate geometry to three equivalent N3- and six equivalent Br1- atoms. All Eu–N bond lengths are 2.56 Å. There are three shorter (3.24 Å) and three longer (3.61 Å) Eu–Br 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 to three equivalent Eu2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NEu3C tetrahedra. Br1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and four equivalent Eu2+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Eu2PI by Materials Project

Eu2PI is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to three equivalent P3- and three equivalent I1- atoms to form a mixture of edge and corner-sharing EuP3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–P bond lengths are 2.96 Å. All Eu–I bond lengths are 3.45 Å. P3- is bonded to six equivalent Eu2+ atoms to form PEu6 octahedra that share corners with six equivalent IEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent IEu6 octahedra. The corner-sharing octahedral tilt angles are 12°. I1- is bonded to six equivalent Eu2+ atoms to form distorted IEu6 octahedra that share corners with six equivalent PEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent IEu6 octahedra. The corner-sharing octahedral tilt angles are 12°.

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Materials Data on Ba5Eu8Zn4O21 by Materials Project

Ba5Eu8Zn4O21 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.26 Å. In the second Ba2+ site, Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are two shorter (2.92 Å) and eight longer (2.99 Å) Ba–O bond lengths. 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 EuO7 pentagonal bipyramids, corners with two equivalent ZnO5 trigonal bipyramids, edges with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent ZnO5 trigonal bipyramids, and faces with two equivalent EuO7 pentagonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.38–2.47 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent EuO7 pentagonal bipyramids, corners with two equivalent ZnO5 trigonal bipyramids, edges with five EuO7 pentagonal bipyramids, an edgeedge with one ZnO5 trigonal bipyramid, and a faceface with one ZnO5 trigonal bipyramid. There are a spread of Eu–O bond distances ranging from 2.34–2.60 Å. Zn2+ is bonded to five O2- atoms to form distorted ZnO5 trigonal bipyramids that share corners with four EuO7 pentagonal bipyramids, edges with three EuO7 pentagonal bipyramids, and a faceface with one EuO7 pentagonal bipyramid. There are a spread of Zn–O bond distances ranging from 2.02–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, three Eu3+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two Ba2+, three Eu3+, and one Zn2+ atom. In the third O2- site, O2- is bonded to four equivalent Ba2+, one Eu3+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OBa4EuZn octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Eu3+ atoms to form distorted corner-sharing OBa2Eu4 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Eu3ReO7 by Materials Project

Eu3ReO7 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 six O2- atoms to form distorted EuO6 octahedra that share corners with two equivalent EuO6 octahedra, corners with four equivalent ReO6 octahedra, and edges with two equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 46–67°. There are a spread of Eu–O bond distances ranging from 2.30–2.46 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 (2.81 Å) Eu–O bond lengths. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with eight equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 14–65°. All Re–O bond lengths are 1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Re5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms.

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Materials Data on Eu2B5Os3 by Materials Project

Eu2Os3B5 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Eu3+ is bonded in a 2-coordinate geometry to two equivalent Os1- and four B+0.60- atoms. There are one shorter (3.18 Å) and one longer (3.36 Å) Eu–Os bond lengths. There are a spread of Eu–B bond distances ranging from 2.72–3.03 Å. There are two inequivalent Os1- sites. In the first Os1- site, Os1- is bonded in a 5-coordinate geometry to five B+0.60- atoms. There are a spread of Os–B bond distances ranging from 1.98–2.26 Å. In the second Os1- site, Os1- is bonded in a 6-coordinate geometry to four equivalent Eu3+ and six B+0.60- atoms. There are a spread of Os–B bond distances ranging from 2.18–2.25 Å. There are three inequivalent B+0.60- sites. In the first B+0.60- site, B+0.60- is bonded to four equivalent Eu3+ and two equivalent Os1- atoms to form edge-sharing BEu4Os2 octahedra. In the second B+0.60- site, B+0.60- is bonded in a 5-coordinate geometry to four Os1- and one B+0.60- atom. The B–B bond length is 1.74 Å. In the third B+0.60- site, B+0.60- is bonded in a 7-coordinate geometry to two equivalent Eu3+, three Os1-, and two B+0.60- atoms. The B–B bond length is 1.68 Å.

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Materials Data on Eu2C(NCl)2 by Materials Project

Eu2C(NCl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Eu2+ is bonded in a 7-coordinate geometry to three equivalent N3- and four equivalent Cl1- atoms. There are two shorter (2.59 Å) and one longer (2.61 Å) Eu–N bond lengths. There are two shorter (3.00 Å) and two longer (3.02 Å) Eu–Cl 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 to three equivalent Eu2+ and one C4+ atom to form distorted NEu3C tetrahedra that share corners with three equivalent NEu3C tetrahedra, corners with ten equivalent ClEu4 tetrahedra, an edgeedge with one ClEu4 tetrahedra, and edges with two equivalent NEu3C tetrahedra. Cl1- is bonded to four equivalent Eu2+ atoms to form ClEu4 tetrahedra that share corners with six equivalent ClEu4 tetrahedra, corners with ten equivalent NEu3C tetrahedra, an edgeedge with one NEu3C tetrahedra, and edges with three equivalent ClEu4 tetrahedra.

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Materials Data on Eu2PBr by Materials Project

Eu2PBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to three equivalent P3- and three equivalent Br1- atoms to form a mixture of edge and corner-sharing EuP3Br3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–P bond lengths are 2.92 Å. All Eu–Br bond lengths are 3.26 Å. P3- is bonded to six equivalent Eu2+ atoms to form PEu6 octahedra that share corners with six equivalent BrEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 9°. Br1- is bonded to six equivalent Eu2+ atoms to form BrEu6 octahedra that share corners with six equivalent PEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 9°.

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Materials Data on Ba2Eu2Ti2Cu2O11 by Materials Project

Eu2Ba2Cu2Ti2O11 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four equivalent BaO12 cuboctahedra, corners with four equivalent EuO12 cuboctahedra, a faceface with one EuO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, faces with four equivalent TiO6 octahedra, and faces with four equivalent CuO5 square pyramids. There are a spread of Ba–O bond distances ranging from 2.79–3.07 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.49 Å. In the second Eu3+ site, Eu3+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, corners with eight equivalent BaO12 cuboctahedra, faces with two equivalent BaO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. There are eight shorter (2.68 Å) and four longer (2.78 Å) Eu–O bond lengths. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with five equivalent TiO6 octahedra, a cornercorner with one CuO5 square pyramid, faces with four equivalent BaO12 cuboctahedra, and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Ti–O bond distances ranging from 1.89–1.99 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one TiO6 octahedra, corners with four equivalent CuO5 square pyramids, and faces with four equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.97 Å) and one longer (2.35 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ba2+, one Ti4+, and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OBa4TiCu octahedra. The corner-sharing octahedral tilt angles are 13°. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ba2+, two equivalent Eu3+, and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Eu3+, and two equivalent Cu2+ atoms.

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Materials Data on Eu2Ge2Se5 by Materials Project

Eu2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.14–3.58 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.05–3.64 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.44 Å. In the second Ge3+ site, Ge3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.40–2.49 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Eu2+ and one Ge3+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Eu2+ and two equivalent Ge3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Eu2+ and one Ge3+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to three Eu2+ and one Ge3+ atom. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Eu2+ and one Ge3+ atom.

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Materials Data on Eu2Ru2O7 by Materials Project

Eu2Ru2O7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with six EuO8 hexagonal bipyramids and edges with six RuO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.27–2.60 Å. In the second Eu3+ site, Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with six equivalent EuO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.29 Å) and six longer (2.59 Å) Eu–O bond lengths. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra and edges with six EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Ru–O bond lengths are 2.03 Å. In the second Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Ru–O bond lengths are 2.03 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 Ru4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two equivalent Ru4+ atoms. In the third O2- site, O2- is bonded to four Eu3+ atoms to form corner-sharing OEu4 tetrahedra.

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Materials Data on LiEu4C3(IN2)3 by Materials Project

LiI3Eu4(CN2)3 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional and consists of one LiI3 ribbon oriented in the (0, 0, 1) direction and one Eu4(CN2)3 framework. In the LiI3 ribbon, Li1+ is bonded to six equivalent I1- atoms to form face-sharing LiI6 octahedra. All Li–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ atoms. In the Eu4(CN2)3 framework, there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Eu–N bond lengths are 2.65 Å. In the second Eu2+ site, Eu2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Eu–N bond lengths are 2.59 Å. 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 4-coordinate geometry to three Eu2+ and one C4+ atom.

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Materials Data on EuSeClO3 by Materials Project

EuSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing EuCl2O5 pentagonal bipyramids. There are a spread of Eu–O bond distances ranging from 2.31–2.49 Å. Both Eu–Cl bond lengths are 2.81 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.71 Å) and two longer (1.74 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Eu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Eu3+ atoms.

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