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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on Er2Mg3Ru by Materials Project

Mg3Er2Ru crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Er atoms to form a mixture of edge, corner, and face-sharing MgEr4Mg8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.36 Å) Mg–Mg bond lengths. All Mg–Er bond lengths are 3.48 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent MgMg12 cuboctahedra, edges with sixteen equivalent MgEr4Mg8 cuboctahedra, and faces with sixteen MgEr4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.36 Å. Er is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ru atoms. All Er–Ru bond lengths are 2.89 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on ErNi4Au by Materials Project

ErNi4Au is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to twelve equivalent Ni and four equivalent Au atoms. All Er–Ni bond lengths are 2.88 Å. All Er–Au bond lengths are 3.01 Å. Ni is bonded to three equivalent Er, six equivalent Ni, and three equivalent Au atoms to form a mixture of corner, edge, and face-sharing NiEr3Ni6Au3 cuboctahedra. There are three shorter (2.44 Å) and three longer (2.47 Å) Ni–Ni bond lengths. All Ni–Au bond lengths are 2.88 Å. Au is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Ni atoms.

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Materials Data on ErGa2Ni by Materials Project

ErNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.85 Å) and two longer (2.97 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 2.97–3.24 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Ga atoms. There are two shorter (2.48 Å) and four longer (2.53 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to five equivalent Er and three equivalent Ni atoms.

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Materials Data on Er2B4C by Materials Project

Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.

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Materials Data on ErInCo4 by Materials Project

ErCo4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Co and four equivalent In atoms. All Er–Co bond lengths are 2.91 Å. All Er–In bond lengths are 3.04 Å. Co is bonded to three equivalent Er, six equivalent Co, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CoEr3In3Co6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Co–Co bond lengths. All Co–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Co atoms.

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Materials Data on ErAlGe by Materials Project

ErAlGe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Er–Al bond lengths are 3.17 Å. There are a spread of Er–Ge bond distances ranging from 2.92–3.07 Å. Al is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Al–Ge bond lengths are 2.72 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Al atoms.

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Materials Data on ErInNi4 by Materials Project

ErNi4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Er–Ni bond lengths are 2.91 Å. All Er–In bond lengths are 3.04 Å. Ni is bonded to three equivalent Er, six equivalent Ni, and three equivalent In atoms to form a mixture of corner, edge, and face-sharing NiEr3In3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Ni atoms.

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Materials Data on Er2Fe3Cu by Materials Project

Er2Fe3Cu is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Cu atoms. There are six shorter (2.97 Å) and three longer (3.06 Å) Er–Fe bond lengths. All Er–Cu bond lengths are 2.97 Å. Fe is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form FeEr6Fe4Cu2 cuboctahedra that share corners with four equivalent CuEr6Fe6 cuboctahedra, corners with fourteen equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent FeEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe6 cuboctahedra, and faces with twelve equivalent FeEr6Fe4Cu2 cuboctahedra. All Fe–Fe bond lengths are 2.53 Å. Both Fe–Cu bond lengths are 2.58 Å. Cu is bonded to six equivalent Er and six equivalent Fe atoms to form CuEr6Fe6 cuboctahedra that share corners with six equivalent CuEr6Fe6 cuboctahedra, corners with twelve equivalent FeEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe6 cuboctahedra, and faces with eighteen equivalent FeEr6Fe4Cu2 cuboctahedra.

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Materials Data on ErGaAu by Materials Project

ErAuGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. There are a spread of Er–Au bond distances ranging from 3.05–3.22 Å. There are a spread of Er–Ga bond distances ranging from 3.11–3.27 Å. Au is bonded in a 2-coordinate geometry to six equivalent Er, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.83 Å. There are two shorter (2.60 Å) and one longer (2.90 Å) Au–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Au, and one Ga atom. The Ga–Ga bond length is 2.56 Å.

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Materials Data on Er2BiO2 by Materials Project

Er2BiO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Bi and four equivalent O atoms. All Er–Bi bond lengths are 3.56 Å. All Er–O bond lengths are 2.21 Å. Bi is bonded in a body-centered cubic geometry to eight equivalent Er atoms. O is bonded to four equivalent Er atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra.

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Materials Data on ErCu4Ag by Materials Project

ErCu4Ag crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Ag and twelve equivalent Cu atoms. All Er–Ag bond lengths are 3.08 Å. All Er–Cu bond lengths are 2.95 Å. Ag is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms. All Ag–Cu bond lengths are 2.95 Å. Cu is bonded to three equivalent Er, three equivalent Ag, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuEr3Cu6Ag3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.53 Å) Cu–Cu bond lengths.

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Materials Data on Er2CdOs by Materials Project

Er2OsCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Cd atoms. All Er–Os bond lengths are 3.05 Å. All Er–Cd bond lengths are 3.05 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on ErGePd by Materials Project

ErPdGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Ge atoms. There are a spread of Er–Pd bond distances ranging from 3.06–3.19 Å. There are a spread of Er–Ge bond distances ranging from 3.05–3.25 Å. Pd is bonded in a 10-coordinate geometry to six equivalent Er, one Pd, and three equivalent Ge atoms. The Pd–Pd bond length is 2.83 Å. There are two shorter (2.52 Å) and one longer (2.77 Å) Pd–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

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Materials Data on Er2CdHg by Materials Project

Er2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Er–Hg bond lengths are 3.21 Å. All Er–Cd bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on Er2ThOF10 by Materials Project

(ThEr2F10)2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of four water molecules and one ThEr2F10 framework. In the ThEr2F10 framework, Th is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.28 Å) and four longer (2.47 Å) Th–F bond lengths. Er is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Er–F bond distances ranging from 2.17–2.36 Å. There are three inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to one Th and two equivalent Er atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Er atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one Er atom.

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Materials Data on ErNiSn4 by Materials Project

ErNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.20–3.46 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.76 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. There are one shorter (3.07 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and five Sn atoms. The Sn–Sn bond length is 3.09 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

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Materials Data on ErCu4Au by Materials Project

ErAuCu4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Au and twelve equivalent Cu atoms. All Er–Au bond lengths are 3.07 Å. All Er–Cu bond lengths are 2.94 Å. Au is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms. All Au–Cu bond lengths are 2.94 Å. Cu is bonded to three equivalent Er, three equivalent Au, and six equivalent Cu atoms to form a mixture of edge, face, and corner-sharing CuEr3Cu6Au3 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.52 Å) Cu–Cu bond lengths.

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Materials Data on Er2CuAu by Materials Project

Er2AuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms. All Er–Au bond lengths are 3.04 Å. All Er–Cu bond lengths are 3.04 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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