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At least 757 records · Page 42
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DOE OSTI2020

Materials Data on ErPbAu by Materials Project

ErAuPb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Au and six equivalent Pb atoms to form a mixture of distorted corner and face-sharing ErPb6Au4 tetrahedra. All Er–Au bond lengths are 2.95 Å. All Er–Pb bond lengths are 3.41 Å. Au is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Pb atoms. All Au–Pb bond lengths are 2.95 Å. Pb is bonded in a distorted q6 geometry to six equivalent Er and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErBiPt by Materials Project

ErPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted corner and face-sharing ErBi6Pt4 tetrahedra. All Er–Pt bond lengths are 2.91 Å. All Er–Bi bond lengths are 3.36 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.91 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZn12 by Materials Project

ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er6Zn23 by Materials Project

Er6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.08–3.21 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Er and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.76 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Er and nine Zn atoms. There are three shorter (2.58 Å) and three longer (2.84 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. In the fourth Zn site, Zn is bonded to four equivalent Er and eight Zn atoms to form a mixture of corner and face-sharing ZnEr4Zn8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3InN by Materials Project

Er3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Er–In bond lengths are 3.37 Å. Both Er–N bond lengths are 2.38 Å. In is bonded to twelve equivalent Er atoms to form InEr12 cuboctahedra that share corners with twelve equivalent InEr12 cuboctahedra, faces with six equivalent InEr12 cuboctahedra, and faces with eight equivalent NEr6 octahedra. N is bonded to six equivalent Er atoms to form NEr6 octahedra that share corners with six equivalent NEr6 octahedra and faces with eight equivalent InEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Pd2Pb by Materials Project

Er2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.90 Å) and four longer (2.96 Å) Er–Pd bond lengths. All Er–Pb bond lengths are 3.44 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Er and two equivalent Pb atoms. Both Pd–Pb bond lengths are 3.13 Å. Pb is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of distorted corner and face-sharing PbEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAl2Ni by Materials Project

ErNiAl2 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 Al atoms. There are one shorter (2.79 Å) and two longer (3.02 Å) Er–Ni bond lengths. There are a spread of Er–Al bond distances ranging from 3.05–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.51 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Er and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSiPd2 by Materials Project

ErPd2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Er–Pd bond distances ranging from 2.98–3.17 Å. There are two shorter (2.96 Å) and one longer (2.99 Å) Er–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Er and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.49–2.60 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCu2 by Materials Project

ErCu2In 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 and six equivalent In atoms. All Er–Cu bond lengths are 2.86 Å. All Er–In bond lengths are 3.30 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Cu–In bond lengths are 2.86 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Er and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErGe3 by Materials Project

ErGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.24 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.81 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2PdAu by Materials Project

Er2PdAu 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 Pd and four equivalent Au atoms. All Er–Pd bond lengths are 3.06 Å. All Er–Au bond lengths are 3.06 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnAu by Materials Project

ErAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted corner and face-sharing ErSn6Au4 tetrahedra. All Er–Au bond lengths are 2.90 Å. All Er–Sn bond lengths are 3.35 Å. Au is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sn atoms. All Au–Sn bond lengths are 2.90 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Er and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2MgTl by Materials Project

MgEr2Tl 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 3.25 Å. Er is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Er–Tl bond lengths are 3.25 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3AlC by Materials Project

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Er–Al bond lengths are 3.41 Å. Both Er–C bond lengths are 2.41 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent CEr6 octahedra. C is bonded to six equivalent Er atoms to form CEr6 octahedra that share corners with six equivalent CEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSi2Rh3 by Materials Project

ErRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Er–Rh bond lengths are 3.31 Å. All Er–Si bond lengths are 3.18 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent Si atoms. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErAgSn by Materials Project

ErAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.06 Å) and three longer (3.56 Å) Er–Ag bond lengths. There are three shorter (3.17 Å) and three longer (3.43 Å) Er–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Sn atoms. There are three shorter (2.81 Å) and one longer (2.99 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSnPd2 by Materials Project

ErPd2Sn 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 and six equivalent Sn atoms. All Er–Pd bond lengths are 2.93 Å. All Er–Sn bond lengths are 3.38 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.93 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Er and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiSn by Materials Project

ErNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Er–Ni bond distances ranging from 3.04–3.29 Å. There are a spread of Er–Sn bond distances ranging from 3.10–3.23 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.59–2.79 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.

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