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At least 1,153 records · Page 64
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DOE OSTI2020

Materials Data on ErNiBi by Materials Project

ErNiBi is half-Heusler 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 Ni and six equivalent Bi atoms. All Er–Ni bond lengths are 2.79 Å. All Er–Bi bond lengths are 3.23 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.79 Å. Bi is bonded in a distorted q6 geometry to six equivalent Er and four equivalent Ni atoms.

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DOE OSTI2020

Materials Data on ErBiPd by Materials Project

ErPdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing ErBi6Pd4 tetrahedra. All Er–Pd bond lengths are 2.90 Å. All Er–Bi bond lengths are 3.35 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.90 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Pd atoms.

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Materials Data on Er2InNi2 by Materials Project

Er2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.79 Å) and two longer (2.91 Å) Er–Ni bond lengths. All Er–In bond lengths are 3.31 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Er, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.43 Å. The Ni–In bond length is 2.82 Å. In is bonded in a distorted q6 geometry to eight equivalent Er and two equivalent Ni atoms.

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DOE OSTI2020

Materials Data on ErFeCu by Materials Project

ErFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Cu atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Er–Fe bond lengths. There are four shorter (2.96 Å) and two longer (3.10 Å) Er–Cu bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Cu atoms to form FeEr6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuEr6Fe4Cu2 cuboctahedra, corners with ten equivalent FeEr6Fe2Cu4 cuboctahedra, edges with six equivalent FeEr6Fe2Cu4 cuboctahedra, faces with six equivalent FeEr6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuEr6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. All Fe–Cu bond lengths are 2.59 Å. Cu is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form CuEr6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Cu4 cuboctahedra, corners with ten equivalent CuEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.

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DOE OSTI2020

Materials Data on ErIn2Sn by Materials Project

ErIn2Sn is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to eight equivalent In and four equivalent Sn atoms to form ErIn8Sn4 cuboctahedra that share corners with twelve equivalent ErIn8Sn4 cuboctahedra, edges with eight equivalent SnEr4In8 cuboctahedra, edges with sixteen equivalent InEr4In4Sn4 cuboctahedra, faces with four equivalent SnEr4In8 cuboctahedra, faces with six equivalent ErIn8Sn4 cuboctahedra, and faces with eight equivalent InEr4In4Sn4 cuboctahedra. All Er–In bond lengths are 3.30 Å. All Er–Sn bond lengths are 3.25 Å. In is bonded to four equivalent Er, four equivalent In, and four equivalent Sn atoms to form InEr4In4Sn4 cuboctahedra that share corners with twelve equivalent InEr4In4Sn4 cuboctahedra, edges with eight equivalent ErIn8Sn4 cuboctahedra, edges with eight equivalent InEr4In4Sn4 cuboctahedra, edges with eight equivalent SnEr4In8 cuboctahedra, faces with four equivalent ErIn8Sn4 cuboctahedra, faces with four equivalent SnEr4In8 cuboctahedra, and faces with ten equivalent InEr4In4Sn4 cuboctahedra. All In–In bond lengths are 3.25 Å. All In–Sn bond lengths are 3.30 Å. Sn is bonded to four equivalent Er and eight equivalent In atoms to form SnEr4In8 cuboctahedra that share corners with twelve equivalent SnEr4In8 cuboctahedra, edges with eight equivalent ErIn8Sn4 cuboctahedra, edges with sixteen equivalent InEr4In4Sn4 cuboctahedra, faces with four equivalent ErIn8Sn4 cuboctahedra, faces with six equivalent SnEr4In8 cuboctahedra, and faces with eight equivalent InEr4In4Sn4 cuboctahedra.

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Materials Data on ErGaNi by Materials Project

ErNiGa 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 Ga atoms. There are a spread of Er–Ni bond distances ranging from 2.85–3.03 Å. There are a spread of Er–Ga bond distances ranging from 2.98–3.10 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.49–2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.

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DOE OSTI2020

Materials Data on Er2RuPt by Materials Project

Er2RuPt 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 Ru and four equivalent Pt atoms. All Er–Ru bond lengths are 2.96 Å. All Er–Pt bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

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Materials Data on LiEr2Au by Materials Project

LiEr2Au is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Er atoms. All Li–Er bond lengths are 3.10 Å. Er is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms. All Er–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
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Materials Data on ErAlGa by Materials Project

ErGaAl 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 Ga and six equivalent Al atoms to form a mixture of edge and face-sharing ErAl6Ga6 cuboctahedra. All Er–Ga bond lengths are 3.11 Å. All Er–Al bond lengths are 3.11 Å. Ga is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Al atoms. All Ga–Al bond lengths are 2.58 Å. Al is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Ga atoms.

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Materials Data on Er2InAu2 by Materials Project

Er2Au2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.02 Å) Er–Au bond lengths. All Er–In bond lengths are 3.48 Å. Au is bonded in a 9-coordinate geometry to six equivalent Er, one Au, and two equivalent In atoms. The Au–Au bond length is 2.89 Å. Both Au–In bond lengths are 3.14 Å. In is bonded to eight equivalent Er and four equivalent Au atoms to form a mixture of distorted face and corner-sharing InEr8Au4 cuboctahedra.

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Materials Data on Er3Ge13Os4 by Materials Project

Er3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Er–Os bond lengths are 3.20 Å. There are eight shorter (3.18 Å) and four longer (3.25 Å) Er–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Er, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on ErPd2Pb by Materials Project

ErPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Er–Pd bond lengths are 2.97 Å. All Er–Pb bond lengths are 3.43 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Er and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.97 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Er and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErCoNi by Materials Project

ErCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. There are four shorter (2.93 Å) and two longer (2.94 Å) Er–Co bond lengths. There are four shorter (2.92 Å) and two longer (2.96 Å) Er–Ni bond lengths. Co is bonded to six equivalent Er, two equivalent Co, and four equivalent Ni atoms to form CoEr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Co4Ni2 cuboctahedra, corners with ten equivalent CoEr6Co2Ni4 cuboctahedra, edges with six equivalent CoEr6Co2Ni4 cuboctahedra, faces with six equivalent CoEr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.51 Å. Ni is bonded to six equivalent Er, four equivalent Co, and two equivalent Ni atoms to form NiEr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoEr6Co2Ni4 cuboctahedra, corners with ten equivalent NiEr6Co4Ni2 cuboctahedra, edges with six equivalent NiEr6Co4Ni2 cuboctahedra, faces with six equivalent NiEr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoEr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErGaAg by Materials Project

ErAgGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are a spread of Er–Ag bond distances ranging from 3.10–3.28 Å. There are a spread of Er–Ga bond distances ranging from 3.12–3.24 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Er, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 2.78 Å. There are two shorter (2.62 Å) and one longer (2.88 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.57 Å.

36 MATERIALS SCIENCE↗
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Materials Data on ErAgSn2 by Materials Project

AgErSn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to four equivalent Ag and eight equivalent Sn atoms to form ErAg4Sn8 cuboctahedra that share corners with twelve equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, faces with six equivalent ErAg4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Er–Ag bond lengths are 3.27 Å. All Er–Sn bond lengths are 3.20 Å. Ag is bonded to four equivalent Er and eight equivalent Sn atoms to form AgEr4Sn8 cuboctahedra that share corners with twelve equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with sixteen equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with six equivalent AgEr4Sn8 cuboctahedra, and faces with eight equivalent SnEr4Ag4Sn4 cuboctahedra. All Ag–Sn bond lengths are 3.20 Å. Sn is bonded to four equivalent Er, four equivalent Ag, and four equivalent Sn atoms to form distorted SnEr4Ag4Sn4 cuboctahedra that share corners with twelve equivalent SnEr4Ag4Sn4 cuboctahedra, edges with eight equivalent ErAg4Sn8 cuboctahedra, edges with eight equivalent AgEr4Sn8 cuboctahedra, edges with eight equivalent SnEr4Ag4Sn4 cuboctahedra, faces with four equivalent ErAg4Sn8 cuboctahedra, faces with four equivalent AgEr4Sn8 cuboctahedra, and faces with ten equivalent SnEr4Ag4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.27 Å.

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DOE OSTI2020

Materials Data on ErCuPb by Materials Project

ErCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing ErCu6Pb6 cuboctahedra. All Er–Cu bond lengths are 3.22 Å. All Er–Pb bond lengths are 3.22 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.67 Å. Pb is bonded in a 3-coordinate geometry to six equivalent Er and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
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.

36 MATERIALS SCIENCE↗
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.

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