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DOE OSTI2020

Materials Data on Eu3Ti by Materials Project

Eu3Ti is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with twelve equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen EuEu8Ti4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Eu–Eu bond lengths. All Eu–Ti bond lengths are 3.66 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Ti atoms to form EuEu8Ti4 cuboctahedra that share corners with four equivalent EuEu8Ti4 cuboctahedra, corners with eight equivalent TiEu12 cuboctahedra, edges with twenty-four EuEu8Ti4 cuboctahedra, faces with six equivalent TiEu12 cuboctahedra, and faces with twelve EuEu8Ti4 cuboctahedra. All Eu–Ti bond lengths are 3.64 Å. Ti is bonded to twelve Eu atoms to form TiEu12 cuboctahedra that share corners with four equivalent TiEu12 cuboctahedra, corners with eight equivalent EuEu8Ti4 cuboctahedra, edges with eight equivalent TiEu12 cuboctahedra, edges with sixteen equivalent EuEu8Ti4 cuboctahedra, faces with four equivalent TiEu12 cuboctahedra, and faces with fourteen EuEu8Ti4 cuboctahedra.

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Materials Data on Eu3Zr by Materials Project

Eu3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent Zr atoms to form EuEu8Zr4 cuboctahedra that share corners with twelve equivalent EuEu8Zr4 cuboctahedra, edges with eight equivalent ZrEu12 cuboctahedra, edges with sixteen EuEu8Zr4 cuboctahedra, faces with four equivalent ZrEu12 cuboctahedra, and faces with fourteen EuEu8Zr4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.67 Å) Eu–Eu bond lengths. All Eu–Zr bond lengths are 3.64 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Zr atoms to form EuEu8Zr4 cuboctahedra that share corners with four equivalent EuEu8Zr4 cuboctahedra, corners with eight equivalent ZrEu12 cuboctahedra, edges with twenty-four EuEu8Zr4 cuboctahedra, faces with six equivalent ZrEu12 cuboctahedra, and faces with twelve EuEu8Zr4 cuboctahedra. All Eu–Zr bond lengths are 3.67 Å. Zr is bonded to twelve Eu atoms to form ZrEu12 cuboctahedra that share corners with four equivalent ZrEu12 cuboctahedra, corners with eight equivalent EuEu8Zr4 cuboctahedra, edges with eight equivalent ZrEu12 cuboctahedra, edges with sixteen equivalent EuEu8Zr4 cuboctahedra, faces with four equivalent ZrEu12 cuboctahedra, and faces with fourteen EuEu8Zr4 cuboctahedra.

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Materials Data on EuGeAu by Materials Project

EuAuGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are two shorter (3.17 Å) and four longer (3.25 Å) Eu–Au bond lengths. There are two shorter (3.26 Å) and four longer (3.44 Å) Eu–Ge bond lengths. In the second Eu site, Eu is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are four shorter (3.29 Å) and two longer (3.36 Å) Eu–Au bond lengths. There are four shorter (3.15 Å) and two longer (3.32 Å) Eu–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six Eu, one Au, and three equivalent Ge atoms. The Au–Au bond length is 3.24 Å. There are two shorter (2.69 Å) and one longer (2.73 Å) Au–Ge bond lengths. Ge is bonded in a 3-coordinate geometry to six Eu, three equivalent Au, and one Ge atom. The Ge–Ge bond length is 2.80 Å.

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Materials Data on EuZnGe by Materials Project

EuZnGe crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Zn and eight equivalent Ge atoms to form a mixture of edge and face-sharing EuZn4Ge8 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.31 Å. In the second Eu site, Eu is bonded to eight equivalent Zn and four equivalent Ge atoms to form a mixture of edge and face-sharing EuZn8Ge4 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.30 Å. Zn is bonded in a 2-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. The Zn–Zn bond length is 2.50 Å. Both Zn–Ge bond lengths are 2.49 Å. Ge is bonded in a distorted bent 120 degrees geometry to six Eu, two equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

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Materials Data on Eu7Au3 by Materials Project

Eu7Au3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 3-coordinate geometry to three equivalent Au atoms. All Eu–Au bond lengths are 3.13 Å. In the second Eu site, Eu is bonded in a distorted water-like geometry to two equivalent Au atoms. Both Eu–Au bond lengths are 3.13 Å. In the third Eu site, Eu is bonded in a distorted T-shaped geometry to three equivalent Au atoms. There are two shorter (3.15 Å) and one longer (3.22 Å) Eu–Au bond lengths. Au is bonded in a 6-coordinate geometry to six Eu atoms.

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Materials Data on Eu5P3O13 by Materials Project

Eu5P3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.20+ sites. In the first Eu+2.20+ site, Eu+2.20+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.56–2.90 Å. In the second Eu+2.20+ site, Eu+2.20+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.82 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.55 Å) and three longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu+2.20+ and one P5+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Eu+2.20+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu+2.20+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu+2.20+ and one P5+ atom.

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Materials Data on Ba3Eu3(Fe3O8)2 by Materials Project

Ba3Eu3(Fe3O8)2 crystallizes in the monoclinic C2/m 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 BaO12 cuboctahedra that share corners with four BaO12 cuboctahedra, faces with four BaO12 cuboctahedra, faces with three equivalent FeO6 octahedra, and faces with five FeO5 square pyramids. There are a spread of Ba–O bond distances ranging from 2.84–3.16 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with four BaO12 cuboctahedra, faces with four equivalent BaO12 cuboctahedra, faces with two equivalent FeO6 octahedra, and faces with six FeO5 square pyramids. There are a spread of Ba–O bond distances ranging from 2.79–3.12 Å. There are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Eu–O bond distances ranging from 2.63–2.84 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.55–2.71 Å. There are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five O2- atoms to form distorted FeO5 square pyramids that share corners with three equivalent FeO6 octahedra, corners with two equivalent FeO5 square pyramids, and faces with four BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Fe–O bond distances ranging from 1.96–2.04 Å. In the second Fe3+ site, Fe3+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with two equivalent FeO6 octahedra, corners with three FeO5 square pyramids, and faces with four BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Fe–O bond distances ranging from 1.95–2.03 Å. In the third Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share a cornercorner with one FeO6 octahedra, corners with five FeO5 square pyramids, and faces with four BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Fe–O bond distances ranging from 1.87–2.10 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Fe3+ atoms to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to four Ba2+ and two equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OBa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the third O2- site, O2- is bonded in a distorted linear geometry to four Eu+2.67+ and two equivalent Fe3+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two Eu+2.67+, and two Fe3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Ba2+, two equivalent Eu+2.67+, and two Fe3+ atoms. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to two Ba2+, two Eu+2.67+, and two Fe3+ atoms.

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Materials Data on Eu5Si3O13 by Materials Project

Eu5Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu+2.80+ sites. In the first Eu+2.80+ site, Eu+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.77 Å. In the second Eu+2.80+ site, Eu+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.43–2.83 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.80+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Eu+2.80+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.80+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu+2.80+ and one Si4+ atom.

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Materials Data on Eu3Th by Materials Project

ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces with twelve EuEu8Th4 cuboctahedra.

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Materials Data on Eu4Bi2O by Materials Project

Eu4Bi2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a linear geometry to four equivalent Bi and two equivalent O atoms. All Eu–Bi bond lengths are 3.44 Å. Both Eu–O bond lengths are 2.47 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to five equivalent Bi and one O atom. There are one shorter (3.36 Å) and four longer (3.53 Å) Eu–Bi bond lengths. The Eu–O bond length is 2.90 Å. Bi is bonded in a 9-coordinate geometry to nine Eu atoms. O is bonded to six Eu atoms to form corner-sharing OEu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on SrEuSi4 by Materials Project

SrEuSi4 is hexagonal omega structure-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sr is bonded to twelve Si atoms to form SrSi12 cuboctahedra that share edges with four equivalent SrSi12 cuboctahedra, edges with eight equivalent EuSi12 cuboctahedra, faces with four equivalent SrSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.19 Å) and eight longer (3.31 Å) Sr–Si bond lengths. Eu is bonded to twelve Si atoms to form EuSi12 cuboctahedra that share edges with four equivalent EuSi12 cuboctahedra, edges with eight equivalent SrSi12 cuboctahedra, faces with four equivalent SrSi12 cuboctahedra, and faces with four equivalent EuSi12 cuboctahedra. There are four shorter (3.17 Å) and eight longer (3.30 Å) Eu–Si bond lengths. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. There are one shorter (2.31 Å) and two longer (2.47 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Eu, and three Si atoms. The Si–Si bond length is 2.37 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. Both Si–Sr bond lengths are 3.19 Å. Both Si–Si bond lengths are 2.47 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. Both Si–Sr bond lengths are 3.19 Å. All Si–Eu bond lengths are 3.30 Å. There are one shorter (2.31 Å) and two longer (2.47 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Eu, and three Si atoms. All Si–Sr bond lengths are 3.31 Å. Both Si–Eu bond lengths are 3.17 Å. The Si–Si bond length is 2.37 Å. In the sixth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Sr, four equivalent Eu, and three Si atoms. All Si–Eu bond lengths are 3.30 Å. Both Si–Si bond lengths are 2.47 Å.

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Materials Data on Eu3Th by Materials Project

ThEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.67 Å) and six longer (4.24 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.67 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Th and eight equivalent Eu atoms.

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Materials Data on Eu2P3Pt4 by Materials Project

Eu2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu+2.50+ is bonded in a 10-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Eu–Pt bond distances ranging from 3.21–3.39 Å. There are two shorter (3.13 Å) and four longer (3.14 Å) Eu–P bond lengths. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Eu+2.50+, four equivalent Pt1-, and four P+0.33- atoms. All Pt–Pt bond lengths are 2.95 Å. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five equivalent Eu+2.50+ and three P+0.33- atoms. There are two shorter (2.34 Å) and one longer (2.35 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- is bonded in a 8-coordinate geometry to four equivalent Eu+2.50+ and four equivalent Pt1- atoms. In the third P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. All P–Eu bond lengths are 3.14 Å. The P–Pt bond length is 2.35 Å. In the fourth P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Eu+2.50+ and five Pt1- atoms. All P–Eu bond lengths are 3.14 Å. There are a spread of P–Pt bond distances ranging from 2.35–2.52 Å.

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Materials Data on Eu5Pd2 by Materials Project

Eu5Pd2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 2-coordinate geometry to three equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.01–3.66 Å. In the second Eu site, Eu is bonded to four equivalent Pd atoms to form distorted edge-sharing EuPd4 trigonal pyramids. There are two shorter (3.10 Å) and two longer (3.14 Å) Eu–Pd bond lengths. In the third Eu site, Eu is bonded in a 3-coordinate geometry to three equivalent Pd atoms. There are a spread of Eu–Pd bond distances ranging from 3.07–3.31 Å. Pd is bonded in a 7-coordinate geometry to eight Eu atoms.

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DOE OSTI2020

Materials Data on SrEu3 by Materials Project

SrEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Eu atoms to form SrEu12 cuboctahedra that share corners with four equivalent SrEu12 cuboctahedra, corners with eight equivalent EuSr4Eu8 cuboctahedra, edges with eight equivalent SrEu12 cuboctahedra, edges with sixteen equivalent EuSr4Eu8 cuboctahedra, faces with four equivalent SrEu12 cuboctahedra, and faces with fourteen EuSr4Eu8 cuboctahedra. There are four shorter (3.98 Å) and eight longer (4.06 Å) Sr–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Sr and eight Eu atoms to form EuSr4Eu8 cuboctahedra that share corners with twelve equivalent EuSr4Eu8 cuboctahedra, edges with eight equivalent SrEu12 cuboctahedra, edges with sixteen EuSr4Eu8 cuboctahedra, faces with four equivalent SrEu12 cuboctahedra, and faces with fourteen EuSr4Eu8 cuboctahedra. There are four shorter (3.98 Å) and four longer (4.06 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Sr and eight equivalent Eu atoms to form distorted EuSr4Eu8 cuboctahedra that share corners with four equivalent EuSr4Eu8 cuboctahedra, corners with eight equivalent SrEu12 cuboctahedra, edges with twenty-four EuSr4Eu8 cuboctahedra, faces with six equivalent SrEu12 cuboctahedra, and faces with twelve EuSr4Eu8 cuboctahedra.

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Materials Data on SrEu3 by Materials Project

SrEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to fourteen Eu atoms. There are eight shorter (3.90 Å) and six longer (4.51 Å) Sr–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.90 Å. In the second Eu site, Eu is bonded in a 8-coordinate geometry to six equivalent Sr and eight equivalent Eu atoms.

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Materials Data on Eu3Pt2 by Materials Project

Eu3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in an octahedral geometry to six equivalent Pt atoms. All Eu–Pt bond lengths are 3.15 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (3.03 Å) and three longer (3.20 Å) Eu–Pt bond lengths. In the third Eu site, Eu is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Eu–Pt bond distances ranging from 3.06–3.44 Å. Pt is bonded in a 9-coordinate geometry to eight Eu and one Pt atom. The Pt–Pt bond length is 3.03 Å.

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Materials Data on CaEu3 by Materials Project

CaEu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. All Ca–Eu bond lengths are 3.86 Å. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.86 Å. In the second Eu site, Eu is bonded in a distorted body-centered cubic geometry to eight equivalent Eu atoms.

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