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Materials Data on EuMg2H5 by Materials Project

Mg2EuH5 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one Mg2EuH5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five H atoms. There are four shorter (1.94 Å) and one longer (2.27 Å) Mg–H bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five H atoms. There are four shorter (1.95 Å) and one longer (2.27 Å) Mg–H bond lengths. Eu is bonded to twelve H atoms to form a mixture of corner and face-sharing EuH12 cuboctahedra. There are eight shorter (2.48 Å) and four longer (2.61 Å) Eu–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to two Mg and four equivalent Eu atoms to form HEu4Mg2 octahedra that share corners with four equivalent HEu4Mg2 octahedra, corners with sixteen equivalent HEu2Mg2 trigonal pyramids, edges with four equivalent HEu4Mg2 octahedra, and faces with eight equivalent HEu2Mg2 trigonal pyramids. The corner-sharing octahedral tilt angles are 0°. In the second H site, H is bonded to two Mg and two equivalent Eu atoms to form distorted HEu2Mg2 trigonal pyramids that share corners with four equivalent HEu4Mg2 octahedra, corners with ten equivalent HEu2Mg2 trigonal pyramids, edges with five equivalent HEu2Mg2 trigonal pyramids, and faces with two equivalent HEu4Mg2 octahedra. The corner-sharing octahedral tilt angles are 58°.

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Materials Data on Eu4Sb2O by Materials Project

Eu4Sb2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent O2- atoms. All Eu–Sb bond lengths are 3.36 Å. Both Eu–O bond lengths are 2.43 Å. In the second Eu2+ site, Eu2+ is bonded to five equivalent Sb3- and one O2- atom to form a mixture of distorted edge and corner-sharing EuSb5O octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are one shorter (3.28 Å) and four longer (3.48 Å) Eu–Sb bond lengths. The Eu–O bond length is 2.84 Å. Sb3- is bonded in a 9-coordinate geometry to nine Eu2+ atoms. O2- is bonded to six Eu2+ atoms to form corner-sharing OEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on EuRe2 by Materials Project

EuRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Eu–Re bond distances ranging from 3.16–3.22 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Eu and six equivalent Re atoms to form a mixture of corner, edge, and face-sharing ReEu6Re6 cuboctahedra. All Re–Re bond lengths are 2.74 Å. In the second Re site, Re is bonded to six equivalent Eu and six Re atoms to form a mixture of corner, edge, and face-sharing ReEu6Re6 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.82 Å) Re–Re bond lengths.

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Materials Data on EuIn3 by Materials Project

EuIn3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded to twelve In atoms to form a mixture of face and corner-sharing EuIn12 cuboctahedra. There are a spread of Eu–In bond distances ranging from 3.38–3.43 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to four equivalent Eu and six equivalent In atoms. There are two shorter (3.24 Å) and four longer (3.25 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to four equivalent Eu and six In atoms. There are one shorter (3.24 Å) and two longer (3.25 Å) In–In bond lengths.

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Materials Data on Ce3Eu by Materials Project

EuCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Ce atoms to form EuCe12 cuboctahedra that share corners with four equivalent EuCe12 cuboctahedra, corners with eight equivalent CeCe8Eu4 cuboctahedra, edges with eight equivalent EuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Eu4 cuboctahedra, faces with four equivalent EuCe12 cuboctahedra, and faces with fourteen CeCe8Eu4 cuboctahedra. There are four shorter (3.41 Å) and eight longer (3.44 Å) Eu–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Eu and eight Ce atoms to form CeCe8Eu4 cuboctahedra that share corners with twelve equivalent CeCe8Eu4 cuboctahedra, edges with eight equivalent EuCe12 cuboctahedra, edges with sixteen CeCe8Eu4 cuboctahedra, faces with four equivalent EuCe12 cuboctahedra, and faces with fourteen CeCe8Eu4 cuboctahedra. There are four shorter (3.41 Å) and four longer (3.44 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Eu and eight equivalent Ce atoms to form CeCe8Eu4 cuboctahedra that share corners with four equivalent CeCe8Eu4 cuboctahedra, corners with eight equivalent EuCe12 cuboctahedra, edges with twenty-four CeCe8Eu4 cuboctahedra, faces with six equivalent EuCe12 cuboctahedra, and faces with twelve CeCe8Eu4 cuboctahedra.

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Materials Data on Eu4As2O by Materials Project

Eu4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Eu–As bond lengths are 3.22 Å. Both Eu–O bond lengths are 2.38 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (3.05 Å) and four longer (3.42 Å) Eu–As bond lengths. The Eu–O bond length is 2.78 Å. As3- is bonded in a 9-coordinate geometry to nine Eu2+ atoms. O2- is bonded to six Eu2+ atoms to form corner-sharing OEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Na3Eu2(GeSe3)2 by Materials Project

Na3Eu2(GeSe3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Na–Se bond distances ranging from 3.08–3.17 Å. In the second Na1+ site, Na1+ is bonded to six Se2- atoms to form NaSe6 octahedra that share corners with four equivalent EuSe6 octahedra, edges with four equivalent EuSe6 octahedra, and edges with six equivalent NaSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (3.12 Å) and two longer (3.13 Å) Na–Se bond lengths. Eu+2.50+ is bonded to six Se2- atoms to form EuSe6 octahedra that share corners with six NaSe6 octahedra, edges with three equivalent EuSe6 octahedra, and edges with six NaSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (3.12 Å) and four longer (3.13 Å) Eu–Se bond lengths. Ge2+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ge–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Na1+, two equivalent Eu+2.50+, and one Ge2+ atom to form a mixture of edge and corner-sharing SeNa3Eu2Ge octahedra. The corner-sharing octahedra tilt angles range from 0–87°. In the second Se2- site, Se2- is bonded to three Na1+, two equivalent Eu+2.50+, and one Ge2+ atom to form a mixture of edge and corner-sharing SeNa3Eu2Ge octahedra. The corner-sharing octahedra tilt angles range from 0–87°.

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Materials Data on Sm3Eu by Materials Project

EuSm3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to twelve Sm atoms to form EuSm12 cuboctahedra that share corners with six equivalent EuSm12 cuboctahedra, corners with twelve SmSm8Eu4 cuboctahedra, edges with eighteen SmSm8Eu4 cuboctahedra, faces with eight equivalent EuSm12 cuboctahedra, and faces with twelve SmSm8Eu4 cuboctahedra. There are six shorter (3.69 Å) and six longer (3.70 Å) Eu–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Eu and eight Sm atoms to form SmSm8Eu4 cuboctahedra that share corners with four equivalent EuSm12 cuboctahedra, corners with fourteen SmSm8Eu4 cuboctahedra, edges with six equivalent EuSm12 cuboctahedra, edges with twelve SmSm8Eu4 cuboctahedra, faces with four equivalent EuSm12 cuboctahedra, and faces with sixteen SmSm8Eu4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.64–3.77 Å. In the second Sm site, Sm is bonded to four equivalent Eu and eight equivalent Sm atoms to form SmSm8Eu4 cuboctahedra that share corners with four equivalent EuSm12 cuboctahedra, corners with fourteen SmSm8Eu4 cuboctahedra, edges with six equivalent EuSm12 cuboctahedra, edges with twelve equivalent SmSm8Eu4 cuboctahedra, faces with four equivalent EuSm12 cuboctahedra, and faces with sixteen SmSm8Eu4 cuboctahedra.

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Materials Data on Eu2Al3O8 by Materials Project

Eu2Al3O8 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Eu is bonded to six O atoms to form EuO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with three equivalent EuO6 octahedra. There are three shorter (2.34 Å) and three longer (2.40 Å) Eu–O bond lengths. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent EuO6 octahedra and corners with four equivalent AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Al–O bond lengths are 1.77 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Eu atoms. In the second O site, O is bonded in a trigonal planar geometry to one Eu and two equivalent Al atoms.

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Materials Data on EuSi2Ni9 by Materials Project

EuNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to eighteen Ni atoms. There are a spread of Eu–Ni bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Eu, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.61 Å. All Ni–Si bond lengths are 2.57 Å. In the second Ni site, Ni is bonded to two equivalent Eu, eight Ni, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing NiEu2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. There are one shorter (2.33 Å) and one longer (2.38 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to ten Ni atoms.

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Materials Data on EuBi2 by Materials Project

EuBi2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Eu–Bi bond distances ranging from 3.42–3.72 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Eu and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.36 Å.

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Materials Data on Eu4PdO7 by Materials Project

Eu4PdO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four 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 2.31–2.61 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 2.28–2.89 Å. In the third 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 2.35–2.80 Å. In the fourth 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 2.31–2.66 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.07 Å) Pd–O bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Pd–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ and one Pd2+ atom to form distorted OEu4Pd square pyramids that share a cornercorner with one OEu4Pd square pyramid, corners with six OEu4 tetrahedra, an edgeedge with one OEu4Pd square pyramid, and edges with two equivalent OEu4 tetrahedra. In the second O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with three equivalent OEu4Pd square pyramids, corners with four OEu4 tetrahedra, and edges with three OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Eu3+ atoms. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with four OEu4 tetrahedra, edges with two equivalent OEu4Pd square pyramids, and edges with two OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Eu3+ and two Pd2+ atoms. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Eu3+ and one Pd2+ atom. In the seventh O2- site, O2- is bonded to four Eu3+ atoms to form OEu4 tetrahedra that share corners with three equivalent OEu4Pd square pyramids, corners with four OEu4 tetrahedra, and edges with three OEu4 tetrahedra.

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Materials Data on LaEuPd6 by Materials Project

EuLaPd6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Pd atoms to form EuPd12 cuboctahedra that share corners with four equivalent EuPd12 cuboctahedra, corners with eight equivalent LaPd12 cuboctahedra, faces with two equivalent LaPd12 cuboctahedra, and faces with four equivalent EuPd12 cuboctahedra. There are eight shorter (3.03 Å) and four longer (3.05 Å) Eu–Pd bond lengths. La is bonded to twelve Pd atoms to form LaPd12 cuboctahedra that share corners with four equivalent LaPd12 cuboctahedra, corners with eight equivalent EuPd12 cuboctahedra, faces with two equivalent EuPd12 cuboctahedra, and faces with four equivalent LaPd12 cuboctahedra. There are eight shorter (3.03 Å) and four longer (3.05 Å) La–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Eu atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent La atoms. In the third Pd site, Pd is bonded in a distorted square co-planar geometry to two equivalent Eu and two equivalent La atoms.

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Materials Data on EuY3 by Materials Project

EuY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve Y atoms to form EuY12 cuboctahedra that share corners with four equivalent EuY12 cuboctahedra, corners with eight equivalent YEu4Y8 cuboctahedra, edges with eight equivalent EuY12 cuboctahedra, edges with sixteen equivalent YEu4Y8 cuboctahedra, faces with four equivalent EuY12 cuboctahedra, and faces with fourteen YEu4Y8 cuboctahedra. All Eu–Y bond lengths are 3.64 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Eu and eight Y atoms to form YEu4Y8 cuboctahedra that share corners with twelve equivalent YEu4Y8 cuboctahedra, edges with eight equivalent EuY12 cuboctahedra, edges with sixteen YEu4Y8 cuboctahedra, faces with four equivalent EuY12 cuboctahedra, and faces with fourteen YEu4Y8 cuboctahedra. All Y–Y bond lengths are 3.64 Å. In the second Y site, Y is bonded to four equivalent Eu and eight equivalent Y atoms to form YEu4Y8 cuboctahedra that share corners with four equivalent YEu4Y8 cuboctahedra, corners with eight equivalent EuY12 cuboctahedra, edges with twenty-four YEu4Y8 cuboctahedra, faces with six equivalent EuY12 cuboctahedra, and faces with twelve YEu4Y8 cuboctahedra.

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Materials Data on EuY2O4 by Materials Project

EuY2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.93 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.84 Å. In the third Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.86 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.89 Å. There are eight inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the second Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the third Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the fourth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Y–O bond distances ranging from 2.25–2.35 Å. In the fifth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. In the sixth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.38 Å. In the seventh Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.22–2.39 Å. In the eighth Y3+ site, Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Y–O bond distances ranging from 2.25–2.36 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the seventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms. In the tenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the eleventh O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of edge and corner-sharing OEu2Y3 square pyramids. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the thirteenth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Eu2+ and three Y3+ atoms. In the fourteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 square pyramids. In the fifteenth O2- site, O2- is bonded to two equivalent Eu2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing OEu2Y3 trigonal bipyramids. In the sixteenth O2- site, O2- is bonded in a 5-coordinate geometry to two Eu2+ and three Y3+ atoms.

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Materials Data on Ca2Eu(Zn3Ni2)3 by Materials Project

Ca2Eu(Ni2Zn3)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six Ni and twelve Zn atoms. All Ca–Ni bond lengths are 3.19 Å. There are a spread of Ca–Zn bond distances ranging from 3.25–3.37 Å. Eu is bonded in a hexagonal planar geometry to six Ni atoms. All Eu–Ni bond lengths are 2.88 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ca, one Eu, and six Zn atoms. There are two shorter (2.54 Å) and four longer (2.55 Å) Ni–Zn bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Ca, one Eu, and six Zn atoms. There are a spread of Ni–Zn bond distances ranging from 2.53–2.55 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ca and four Ni atoms. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ca and four equivalent Ni atoms. In the third Zn site, Zn is bonded to four equivalent Ca and four Ni atoms to form a mixture of distorted corner, edge, and face-sharing ZnCa4Ni4 cuboctahedra. In the fourth Zn site, Zn is bonded to four equivalent Ca and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing ZnCa4Ni4 cuboctahedra.

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Materials Data on Eu8Mn3Nb5O28 by Materials Project

Eu8Nb5Mn3O28 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.42–2.69 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.43–2.69 Å. In the third Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share a cornercorner with one MnO6 octahedra, corners with two equivalent NbO6 octahedra, edges with two NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–60°. There are a spread of Eu–O bond distances ranging from 2.36–2.60 Å. In the fourth Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with three NbO6 octahedra, an edgeedge with one NbO6 octahedra, an edgeedge with one MnO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Eu–O bond distances ranging from 2.36–2.51 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four NbO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and an edgeedge with one EuO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 23–50°. There are a spread of Nb–O bond distances ranging from 1.90–2.22 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with two equivalent MnO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and an edgeedge with one EuO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 27–44°. There are a spread of Nb–O bond distances ranging from 1.94–2.16 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 23–50°. There are a spread of Nb–O bond distances ranging from 1.96–2.10 Å. There are three inequivalent Mn+2.33+ sites. In the first Mn+2.33+ site, Mn+2.33+ is bonded in a 4-coordinate geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (2.06 Å) Mn–O bond length. In the second Mn+2.33+ site, Mn+2.33+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.89–2.74 Å. In the third Mn+2.33+ site, Mn+2.33+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with two equivalent EuO7 pentagonal bipyramids, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 27–44°. There are a spread of Mn–O bond distances ranging from 1.94–2.00 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Mn+2.33+ atom to form distorted OEu3Mn tetrahedra that share corners with ten OEu3Mn tetrahedra and edges with three OEu3Nb tetrahedra. In the second O2- site, O2- is bonded to three Eu3+ and one Nb5+ atom to form distorted OEu3Nb tetrahedra that share corners with ten OEu3Nb tetrahedra and edges with three OEu3Mn tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Eu3+, two Nb5+, and one Mn+2.33+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Eu3+, one Nb5+, and two Mn+2.33+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Eu3+ and two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Eu3+, two equivalent Nb5+, and one Mn+2.33+ atom. In the seventh O2- site, O2- is bonded to three Eu3+ and one Nb5+ atom to form distorted OEu3Nb tetrahedra that share corners with ten OEu3Mn tetrahedra and edges with three OEu3Nb tetrahedra. In the eighth O2- site, O2- is bonded to three Eu3+ and one Nb5+ atom to form distorted OEu3Nb tetrahedra that share corners with ten OEu3Mn tetrahedra and edges with three OEu3Nb tetrahedra. In the ninth O2- site, O2- is bonded to three Eu3+ and one Mn+2.33+ atom to form a mixture of distorted corner and edge-sharing OEu3Mn tetrahedra. In the tenth O2- site, O2- is bonded to three Eu3+ and one Mn+2.33+ atom to form distorted OEu3Mn tetrahedra that share corners with ten OEu3Nb tetrahedra and edges with three OEu3Mn tetrahedra. In the eleventh O2- site, O2- is bonded to three Eu3+ and one Nb5+ atom to form distorted OEu3Nb tetrahedra that share corners with ten OEu3Nb tetrahedra and edges with three OEu3Mn tetrahedra. In the twelfth O2- site, O2- is bonded to three Eu3+ and one Nb5+ atom to form distorted OEu3Nb tetrahedra that share corners with ten OEu3Mn tetrahedra and edges with three OEu3Nb tetrahedra. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+ and two Nb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Eu3+, one Nb5+, and one Mn+2.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Eu by Materials Project

EuLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded to twelve La atoms to form EuLa12 cuboctahedra that share corners with four equivalent EuLa12 cuboctahedra, corners with eight equivalent LaLa8Eu4 cuboctahedra, edges with eight equivalent EuLa12 cuboctahedra, edges with sixteen equivalent LaLa8Eu4 cuboctahedra, faces with four equivalent EuLa12 cuboctahedra, and faces with fourteen LaLa8Eu4 cuboctahedra. There are four shorter (3.76 Å) and eight longer (3.78 Å) Eu–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Eu and eight La atoms to form LaLa8Eu4 cuboctahedra that share corners with twelve equivalent LaLa8Eu4 cuboctahedra, edges with eight equivalent EuLa12 cuboctahedra, edges with sixteen LaLa8Eu4 cuboctahedra, faces with four equivalent EuLa12 cuboctahedra, and faces with fourteen LaLa8Eu4 cuboctahedra. There are four shorter (3.76 Å) and four longer (3.78 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Eu and eight equivalent La atoms to form LaLa8Eu4 cuboctahedra that share corners with four equivalent LaLa8Eu4 cuboctahedra, corners with eight equivalent EuLa12 cuboctahedra, edges with twenty-four LaLa8Eu4 cuboctahedra, faces with six equivalent EuLa12 cuboctahedra, and faces with twelve LaLa8Eu4 cuboctahedra.

36 MATERIALS SCIENCE↗