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At least 865 records · Page 48
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DOE OSTI2020

Materials Data on Er3(GaNi3)2 by Materials Project

Er3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.73 Å) and four longer (3.02 Å) Er–Ni bond lengths. All Er–Ga bond lengths are 3.14 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.55 Å) and two longer (2.84 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.47 Å. Ga is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of corner and face-sharing GaEr6Ni6 cuboctahedra.

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DOE OSTI2020

Materials Data on Er2Nb3Ge4 by Materials Project

Er2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.85–3.07 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Nb–Ge bond distances ranging from 2.74–2.85 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.65–2.80 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Er, four Nb, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Er, six Nb, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Er, four Nb, and one Ge atom. The Ge–Ge bond length is 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2TlHg by Materials Project

Er2HgTl 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 Tl atoms. All Er–Hg bond lengths are 3.23 Å. All Er–Tl bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNp3 by Materials Project

Np3Er is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Er atoms to form NpEr4Np8 cuboctahedra that share corners with twelve equivalent NpEr4Np8 cuboctahedra, edges with eight equivalent ErNp12 cuboctahedra, edges with sixteen NpEr4Np8 cuboctahedra, faces with four equivalent ErNp12 cuboctahedra, and faces with fourteen NpEr4Np8 cuboctahedra. All Np–Np bond lengths are 3.20 Å. All Np–Er bond lengths are 3.20 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Er atoms to form NpEr4Np8 cuboctahedra that share corners with four equivalent NpEr4Np8 cuboctahedra, corners with eight equivalent ErNp12 cuboctahedra, edges with twenty-four NpEr4Np8 cuboctahedra, faces with six equivalent ErNp12 cuboctahedra, and faces with twelve NpEr4Np8 cuboctahedra. All Np–Er bond lengths are 3.20 Å. Er is bonded to twelve Np atoms to form ErNp12 cuboctahedra that share corners with four equivalent ErNp12 cuboctahedra, corners with eight equivalent NpEr4Np8 cuboctahedra, edges with eight equivalent ErNp12 cuboctahedra, edges with sixteen equivalent NpEr4Np8 cuboctahedra, faces with four equivalent ErNp12 cuboctahedra, and faces with fourteen NpEr4Np8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2MgCd by Materials Project

MgEr2Cd 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 Er atoms. All Mg–Er bond lengths are 3.24 Å. Er is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Er–Cd bond lengths are 3.24 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiAs by Materials Project

ErNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of face and edge-sharing ErNi6As6 cuboctahedra. All Er–Ni bond lengths are 3.02 Å. All Er–As bond lengths are 3.02 Å. Ni is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent As atoms. All Ni–As bond lengths are 2.33 Å. As is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2GeRh3 by Materials Project

Er2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine equivalent Rh and three equivalent Ge atoms. There are three shorter (2.90 Å) and six longer (3.19 Å) Er–Rh bond lengths. All Er–Ge bond lengths are 3.26 Å. Rh is bonded to six equivalent Er, four equivalent Rh, and two equivalent Ge atoms to form distorted RhEr6Ge2Rh4 cuboctahedra that share corners with four equivalent GeEr6Rh6 cuboctahedra, corners with fourteen equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent RhEr6Ge2Rh4 cuboctahedra, faces with six equivalent GeEr6Rh6 cuboctahedra, and faces with twelve equivalent RhEr6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.80 Å. Both Rh–Ge bond lengths are 2.55 Å. Ge is bonded to six equivalent Er and six equivalent Rh atoms to form distorted GeEr6Rh6 cuboctahedra that share corners with six equivalent GeEr6Rh6 cuboctahedra, corners with twelve equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent GeEr6Rh6 cuboctahedra, and faces with eighteen equivalent RhEr6Ge2Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Ge13Ru4 by Materials Project

Er3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Er–Ru bond lengths are 3.20 Å. There are eight shorter (3.16 Å) and four longer (3.21 Å) Er–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Er, two equivalent Ru, and two Ge atoms. There are one shorter (2.70 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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DOE OSTI2020

Materials Data on Er2Mg2Ru by Materials Project

Mg2Er2Ru crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr4Mg8 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.37 Å) Mg–Mg bond lengths. All Mg–Er bond lengths are 3.49 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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DOE OSTI2020

Materials Data on ErCo3Ni2 by Materials Project

ErCo3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Ni atoms. All Er–Co bond lengths are 3.14 Å. All Er–Ni bond lengths are 2.78 Å. Co is bonded to four equivalent Er, four equivalent Co, and four equivalent Ni atoms to form CoEr4Co4Ni4 cuboctahedra that share corners with eight equivalent NiEr3Co6 cuboctahedra, corners with sixteen equivalent CoEr4Co4Ni4 cuboctahedra, edges with eight equivalent NiEr3Co6 cuboctahedra, edges with ten equivalent CoEr4Co4Ni4 cuboctahedra, faces with four equivalent NiEr3Co6 cuboctahedra, and faces with ten equivalent CoEr4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Ni bond lengths are 2.45 Å. Ni is bonded to three equivalent Er and six equivalent Co atoms to form distorted NiEr3Co6 cuboctahedra that share corners with twelve equivalent CoEr4Co4Ni4 cuboctahedra, corners with fifteen equivalent NiEr3Co6 cuboctahedra, edges with twelve equivalent CoEr4Co4Ni4 cuboctahedra, faces with five equivalent NiEr3Co6 cuboctahedra, and faces with six equivalent CoEr4Co4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(SiNi3)2 by Materials Project

Er3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.81 Å) and four longer (2.92 Å) Er–Ni bond lengths. All Er–Si bond lengths are 3.10 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of face and corner-sharing SiEr6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiPb by Materials Project

ErNiPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Pb atoms. There are a spread of Er–Ni bond distances ranging from 2.97–3.15 Å. There are a spread of Er–Pb bond distances ranging from 3.21–3.31 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pb atoms. There are a spread of Ni–Pb bond distances ranging from 2.65–2.89 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2GaCu by Materials Project

Er2CuGa is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Ga atoms. All Er–Cu bond lengths are 3.00 Å. All Er–Ga bond lengths are 3.07 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Al4NiGe2 by Materials Project

Er2NiAl4Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Er–Al bond lengths are 3.08 Å. There are one shorter (2.89 Å) and four longer (2.95 Å) Er–Ge bond lengths. Ni is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ni–Al bond lengths are 2.44 Å. Al is bonded in a 4-coordinate geometry to two equivalent Er, two equivalent Ni, and two equivalent Ge atoms. Both Al–Ge bond lengths are 2.76 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErRe2SiC by Materials Project

ErRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.12 Å) Er–Si bond lengths. All Er–C bond lengths are 2.72 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.48 Å) and two longer (2.49 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Re atoms. C is bonded to four equivalent Er and two equivalent Re atoms to form a mixture of corner and edge-sharing CEr4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmErMn4 by Materials Project

ErSmMn4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Mn atoms. All Er–Sm bond lengths are 3.16 Å. All Er–Mn bond lengths are 3.02 Å. Sm is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Mn atoms. All Sm–Mn bond lengths are 3.02 Å. Mn is bonded to three equivalent Er, three equivalent Sm, and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnSm3Er3Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YErAl4 by Materials Project

ErYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Er–Y bond lengths are 3.40 Å. All Er–Al bond lengths are 3.25 Å. Y is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Al atoms. All Y–Al bond lengths are 3.25 Å. Al is bonded to three equivalent Er, three equivalent Y, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlY3Er3Al6 cuboctahedra. There are three shorter (2.77 Å) and three longer (2.78 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er4Ge6Rh7 by Materials Project

Er4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded to six equivalent Rh and six equivalent Ge atoms to form ErGe6Rh6 cuboctahedra that share corners with twelve equivalent ErGe6Rh6 cuboctahedra, faces with six equivalent ErGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Er–Rh bond lengths are 2.96 Å. All Er–Ge bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent ErGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.67 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Er and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Er and five Rh atoms.

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