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At least 1,657 records · Page 92
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DOE OSTI2020

Materials Data on ErLuCu2 by Materials Project

LuErCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Lu–Cu bond lengths are 2.96 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Er–Cu bond lengths are 2.96 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Er atoms.

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Materials Data on PmErPd2 by Materials Project

ErPmPd2 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 eight equivalent Pd atoms. All Er–Pd bond lengths are 3.07 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pm–Pd bond lengths are 3.07 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Pm atoms.

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Materials Data on YErCu2 by Materials Project

ErYCu2 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 eight equivalent Cu atoms. All Er–Cu bond lengths are 3.00 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Y–Cu bond lengths are 3.00 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.

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Materials Data on GdErRh2 by Materials Project

ErGdRh2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one ErGdRh2 ribbon oriented in the (-1, 1, 1) direction. Er is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Er–Rh bond lengths are 2.10 Å. Gd is bonded in a distorted linear geometry to two equivalent Rh atoms. Both Gd–Rh bond lengths are 2.10 Å. Rh is bonded in a linear geometry to one Er and one Gd atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErThRu2 by Materials Project

ThErRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Th–Ru bond lengths are 3.01 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 3.01 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErHfRu2 by Materials Project

ErHfRu2 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 eight equivalent Ru atoms. All Er–Ru bond lengths are 2.86 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Hf–Ru bond lengths are 2.86 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPa3 by Materials Project

Pa3Er is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Er atoms to form PaEr4Pa8 cuboctahedra that share corners with twelve equivalent PaEr4Pa8 cuboctahedra, edges with eight equivalent ErPa12 cuboctahedra, edges with sixteen equivalent PaEr4Pa8 cuboctahedra, faces with four equivalent ErPa12 cuboctahedra, and faces with fourteen equivalent PaEr4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.33 Å. All Pa–Er bond lengths are 3.33 Å. Er is bonded to twelve equivalent Pa atoms to form ErPa12 cuboctahedra that share corners with twelve equivalent ErPa12 cuboctahedra, edges with twenty-four equivalent PaEr4Pa8 cuboctahedra, faces with six equivalent ErPa12 cuboctahedra, and faces with twelve equivalent PaEr4Pa8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er12(ReC3)5 by Materials Project

Er12(ReC3)5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five C+3.47- atoms to form distorted ErC5 square pyramids that share corners with three equivalent ErC5 square pyramids, edges with four equivalent ErC8 hexagonal bipyramids, and an edgeedge with one ErC5 square pyramid. There are a spread of Er–C bond distances ranging from 2.31–2.54 Å. In the second Er3+ site, Er3+ is bonded to eight C+3.47- atoms to form distorted ErC8 hexagonal bipyramids that share corners with four equivalent ErC8 hexagonal bipyramids, edges with two equivalent ErC8 hexagonal bipyramids, and edges with eight equivalent ErC5 square pyramids. There are a spread of Er–C bond distances ranging from 2.54–2.78 Å. In the third Er3+ site, Er3+ is bonded in a rectangular see-saw-like geometry to four C+3.47- atoms. There are two shorter (2.49 Å) and two longer (2.52 Å) Er–C bond lengths. There are two inequivalent Re+3.20+ sites. In the first Re+3.20+ site, Re+3.20+ is bonded in a distorted T-shaped geometry to three C+3.47- atoms. There are one shorter (1.94 Å) and two longer (2.06 Å) Re–C bond lengths. In the second Re+3.20+ site, Re+3.20+ is bonded in a trigonal planar geometry to three equivalent C+3.47- atoms. All Re–C bond lengths are 1.91 Å. There are four inequivalent C+3.47- sites. In the first C+3.47- site, C+3.47- is bonded to five Er3+ and one Re+3.20+ atom to form a mixture of distorted corner and edge-sharing CEr5Re octahedra. The corner-sharing octahedra tilt angles range from 5–45°. In the second C+3.47- site, C+3.47- is bonded in a 6-coordinate geometry to four Er3+, one Re+3.20+, and one C+3.47- atom. The C–C bond length is 1.36 Å. In the third C+3.47- site, C+3.47- is bonded in a 5-coordinate geometry to four Er3+ and one C+3.47- atom. In the fourth C+3.47- site, C+3.47- is bonded to four Er3+ and two equivalent Re+3.20+ atoms to form CEr4Re2 octahedra that share corners with four equivalent CEr4Re2 octahedra and edges with four equivalent CEr5Re octahedra. The corner-sharing octahedra tilt angles range from 6–26°.

36 MATERIALS SCIENCE↗
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Materials Data on ErMgPd2 by Materials Project

MgErPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mg–Pd bond lengths are 2.91 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Er–Pd bond lengths are 2.91 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Er atoms.

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Materials Data on ErFeC6(N3O2)2 by Materials Project

FeEr(CN)6(O2)2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two 1,2,3,4-tetraoxacyclobutane molecules; two iron molecules; and two Er(CN)6 clusters. In each Er(CN)6 cluster, Er3+ is bonded in a distorted pentagonal pyramidal geometry to six N3- atoms. There are four shorter (2.33 Å) and two longer (2.35 Å) Er–N bond lengths. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Er3+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Er3+ and one C+3.33+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Er3+ and one C+3.33+ atom.

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Materials Data on Yb3Er by Materials Project

Yb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Er atoms to form YbYb8Er4 cuboctahedra that share corners with four equivalent ErYb12 cuboctahedra, corners with fourteen equivalent YbYb8Er4 cuboctahedra, edges with six equivalent ErYb12 cuboctahedra, edges with twelve equivalent YbYb8Er4 cuboctahedra, faces with four equivalent ErYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Er4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.65–3.83 Å. There are two shorter (3.69 Å) and two longer (3.74 Å) Yb–Er bond lengths. Er is bonded to twelve equivalent Yb atoms to form ErYb12 cuboctahedra that share corners with six equivalent ErYb12 cuboctahedra, corners with twelve equivalent YbYb8Er4 cuboctahedra, edges with eighteen equivalent YbYb8Er4 cuboctahedra, faces with eight equivalent ErYb12 cuboctahedra, and faces with twelve equivalent YbYb8Er4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdErRu2 by Materials Project

ErGdRu2 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 eight equivalent Ru atoms. All Er–Ru bond lengths are 2.95 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Gd–Ru bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Gd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2(ErGe)3 by Materials Project

La2(ErGe)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.92–3.51 Å. La is bonded to six equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing LaGe6 octahedra. The corner-sharing octahedral tilt angles are 37°. All La–Ge bond lengths are 3.17 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent La atoms.

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DOE OSTI2020

Materials Data on ErBi3 by Materials Project

ErBi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing ErBi12 cuboctahedra. There are six shorter (3.41 Å) and six longer (3.55 Å) Er–Bi bond lengths. Bi is bonded in a 4-coordinate geometry to four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuErTl2 by Materials Project

ErEuTl2 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 eight equivalent Tl atoms. All Er–Tl bond lengths are 3.36 Å. Eu is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Eu–Tl bond lengths are 3.36 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Eu atoms.

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Materials Data on ErLuZn2 by Materials Project

LuErZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Lu–Zn bond lengths are 3.04 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Er–Zn bond lengths are 3.04 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
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Materials Data on YErCd2 by Materials Project

ErYCd2 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 eight equivalent Cd atoms. All Er–Cd bond lengths are 3.24 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Y–Cd bond lengths are 3.24 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTmZn2 by Materials Project

TmErZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Tm–Zn bond lengths are 3.06 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Er–Zn bond lengths are 3.06 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.

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