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At least 1,621 records · Page 90
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DOE OSTI2020

Materials Data on Rb3Er by Materials Project

Rb3Er is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eight equivalent ErRb12 cuboctahedra, edges with sixteen equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with fourteen equivalent RbRb8Er4 cuboctahedra. All Rb–Rb bond lengths are 4.55 Å. All Rb–Er bond lengths are 4.55 Å. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with twelve equivalent ErRb12 cuboctahedra, edges with twenty-four equivalent RbRb8Er4 cuboctahedra, faces with six equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTmTl2 by Materials Project

TmErTl2 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 Tl atoms. All Tm–Tl bond lengths are 3.26 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaErMg2 by Materials Project

Mg2ErLa 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 four equivalent Er and four equivalent La atoms. All Mg–Er bond lengths are 3.35 Å. All Mg–La bond lengths are 3.35 Å. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. La is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2(B2Rh3)3 by Materials Project

Er2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Er–Rh bond lengths are 3.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Er and four B atoms. There are two shorter (2.14 Å) and two longer (2.17 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTmCd2 by Materials Project

TmErCd2 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 Cd atoms. All Tm–Cd bond lengths are 3.22 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Er–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErTmAg2 by Materials Project

TmErAg2 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 Ag atoms. All Tm–Ag bond lengths are 3.12 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Er–Ag bond lengths are 3.12 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErLuPd2 by Materials Project

LuErPd2 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 Pd atoms. All Lu–Pd bond lengths are 2.99 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Er–Pd bond lengths are 2.99 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5Si3B by Materials Project

Er5BSi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to two equivalent B3- and five equivalent Si4- atoms. Both Er–B bond lengths are 2.57 Å. There are a spread of Er–Si bond distances ranging from 2.94–3.41 Å. In the second Er3+ site, Er3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing ErSi6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Er–Si bond lengths are 3.02 Å. B3- is bonded to six equivalent Er3+ atoms to form face-sharing BEr6 octahedra. Si4- is bonded in a 9-coordinate geometry to nine Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZrRu2 by Materials Project

ErZrRu2 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 2.88 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.88 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSi2 by Materials Project

ErSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ErSi12 cuboctahedra. There are eight shorter (3.03 Å) and four longer (3.16 Å) Er–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Si atoms. There are two shorter (2.34 Å) and one longer (2.42 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmErZn2 by Materials Project

ErPmZn2 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 Zn atoms. All Er–Zn bond lengths are 3.12 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pm–Zn bond lengths are 3.12 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Pm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdErZn2 by Materials Project

ErGdZn2 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 Zn atoms. All Er–Zn bond lengths are 3.09 Å. Gd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Gd–Zn bond lengths are 3.09 Å. Zn 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 ErZnO3 by Materials Project

ErZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent O atoms to form ErO12 cuboctahedra that share corners with twelve equivalent ErO12 cuboctahedra, faces with six equivalent ErO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Er–O bond lengths are 2.71 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent ErO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 1.91 Å. O is bonded in a distorted linear geometry to four equivalent Er and two equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErLuRh2 by Materials Project

LuErRh2 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 Rh atoms. All Lu–Rh bond lengths are 2.93 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Er–Rh bond lengths are 2.93 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er6Si11N20O by Materials Project

Er6Si11N20O crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six N3- atoms to form ErN6 octahedra that share corners with two equivalent ErN6 octahedra, a cornercorner with one ErN5O pentagonal pyramid, corners with eight SiN4 tetrahedra, a cornercorner with one SiN3O trigonal pyramid, edges with two equivalent ErN5O pentagonal pyramids, and an edgeedge with one SiN4 tetrahedra. The corner-sharing octahedral tilt angles are 71°. There are a spread of Er–N bond distances ranging from 2.38–2.55 Å. In the second Er3+ site, Er3+ is bonded to five N3- and one O2- atom to form distorted ErN5O pentagonal pyramids that share a cornercorner with one ErN6 octahedra, corners with two equivalent ErN5O pentagonal pyramids, corners with nine SiN4 tetrahedra, edges with two equivalent ErN6 octahedra, and an edgeedge with one SiN3O trigonal pyramid. The corner-sharing octahedral tilt angles are 91°. There are a spread of Er–N bond distances ranging from 2.42–2.50 Å. The Er–O bond length is 2.28 Å. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with six equivalent ErN6 octahedra, corners with three equivalent ErN5O pentagonal pyramids, and corners with three equivalent SiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 63–70°. There is one shorter (1.75 Å) and three longer (1.77 Å) Si–N bond length. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one ErN6 octahedra, corners with three equivalent ErN5O pentagonal pyramids, corners with four SiN4 tetrahedra, a cornercorner with one SiN3O trigonal pyramid, and an edgeedge with one ErN6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Si–N bond distances ranging from 1.74–1.79 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with two equivalent ErN6 octahedra, corners with two equivalent ErN5O pentagonal pyramids, and corners with six SiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 69–71°. There are a spread of Si–N bond distances ranging from 1.74–1.76 Å. In the fourth Si4+ site, Si4+ is bonded to three equivalent N3- and one O2- atom to form SiN3O trigonal pyramids that share corners with three equivalent ErN6 octahedra, corners with three equivalent SiN4 tetrahedra, and edges with three equivalent ErN5O pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. All Si–N bond lengths are 1.71 Å. The Si–O bond length is 1.82 Å. In the fifth Si4+ site, Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with three equivalent ErN6 octahedra, corners with three equivalent ErN5O pentagonal pyramids, and corners with five SiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 68–80°. There is three shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded to two Er3+ and two Si4+ atoms to form distorted NEr2Si2 tetrahedra that share corners with nine NEr2Si2 tetrahedra, a cornercorner with one OEr3Si trigonal pyramid, and corners with three equivalent NEr2Si2 trigonal pyramids. In the second N3- site, N3- is bonded to two Er3+ and two Si4+ atoms to form distorted NEr2Si2 tetrahedra that share corners with six NEr2Si2 tetrahedra, a cornercorner with one OEr3Si trigonal pyramid, and corners with three equivalent NEr2Si2 trigonal pyramids. In the third N3- site, N3- is bonded to two Er3+ and two Si4+ atoms to form distorted NEr2Si2 trigonal pyramids that share corners with eight NEr2Si2 tetrahedra, a cornercorner with one OEr3Si trigonal pyramid, and an edgeedge with one NEr2Si2 tetrahedra. In the fourth N3- site, N3- is bonded to three equivalent Er3+ and one Si4+ atom to form corner-sharing NEr3Si tetrahedra. In the fifth N3- site, N3- is bonded in a trigonal non-coplanar geometry to three equivalent Si4+ atoms. In the sixth N3- site, N3- is bonded in a 4-coordinate geometry to two Er3+ and two Si4+ atoms. In the seventh N3- site, N3- is bonded to two Er3+ and two Si4+ atoms to form distorted NEr2Si2 tetrahedra that share corners with seven NEr2Si2 tetrahedra, a cornercorner with one NEr2Si2 trigonal pyramid, a cornercorner with one OEr3Si trigonal pyramid, and an edgeedge with one NEr2Si2 trigonal pyramid. In the eighth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. O2- is bonded to three equivalent Er3+ and one Si4+ atom to form OEr3Si trigonal pyramids that share corners with nine NEr2Si2 tetrahedra and corners with three equivalent NEr2Si2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiErF2 by Materials Project

LiErF2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Li is bonded in a square co-planar geometry to four equivalent F atoms. There are two shorter (2.48 Å) and two longer (2.50 Å) Li–F bond lengths. Er is bonded in a distorted hexagonal planar geometry to six equivalent F atoms. There are a spread of Er–F bond distances ranging from 2.33–2.38 Å. F is bonded in a 5-coordinate geometry to two equivalent Li and three equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErRu3C by Materials Project

ErRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form ErRu12 cuboctahedra that share corners with twelve equivalent ErRu12 cuboctahedra, faces with six equivalent ErRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Er–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuEr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ErRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErRu3 by Materials Project

ErRu3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form a mixture of face and corner-sharing ErRu12 cuboctahedra. All Er–Ru bond lengths are 2.85 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Er atoms.

36 MATERIALS SCIENCE↗