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At least 973 records · Page 54
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DOE OSTI2020

Materials Data on La2Cu2I by Materials Project

La2Cu2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent I atoms. There are three shorter (3.09 Å) and three longer (3.11 Å) La–Cu bond lengths. All La–I bond lengths are 3.52 Å. Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.46 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLaCuTe4 by Materials Project

NaLaCuTe4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Te+1.50- atoms. There are four shorter (3.28 Å) and four longer (3.56 Å) Na–Te bond lengths. La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.40 Å. Cu2+ is bonded to four equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.72 Å. There are three inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to two equivalent Na1+, two equivalent La3+, and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.15 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Na1+ and four equivalent Cu2+ atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuInPt4 by Materials Project

EuPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Eu3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Eu–Pt bond lengths are 3.19 Å. Pt1- is bonded to three equivalent Eu3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of edge, face, and corner-sharing PtEu3In3Pt6 cuboctahedra. There are three shorter (2.71 Å) and three longer (2.73 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.19 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrPt by Materials Project

ZrPt crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr2+ is bonded in a 7-coordinate geometry to seven equivalent Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.79–2.98 Å. Pt2- is bonded in a 7-coordinate geometry to seven equivalent Zr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbPt by Materials Project

TbPt is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Tb–Pt bond distances ranging from 2.90–3.03 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.32 Å. There are a spread of Mg–Sn bond distances ranging from 3.13–3.30 Å. Sn is bonded in a 12-coordinate geometry to ten equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2S5 by Materials Project

U2S5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. U5+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.79–2.99 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent U5+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent U5+ and one S2- atom. The S–S bond length is 2.22 Å. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YZnRh by Materials Project

YRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five equivalent Rh atoms. All Y–Rh bond lengths are 2.95 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.63–2.69 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSn by Materials Project

ZrSn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 3.08–3.22 Å. Sn is bonded in a 8-coordinate geometry to eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSn by Materials Project

ZrSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.99–3.27 Å. Sn is bonded in a 12-coordinate geometry to eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPb2 by Materials Project

PrPb2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to ten Pb atoms. There are a spread of Pr–Pb bond distances ranging from 3.36–3.70 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted square co-planar geometry to four equivalent Pr atoms. In the second Pb site, Pb is bonded in a 4-coordinate geometry to six equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF by Materials Project

U1F is Tungsten Carbide-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent F atoms. All U–F bond lengths are 2.67 Å. F is bonded in a 6-coordinate geometry to six equivalent U atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGa by Materials Project

MgGa is alpha-derived structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.87–3.01 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr is Tungsten Carbide-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six Mg atoms. There are three shorter (3.59 Å) and three longer (3.62 Å) Sr–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg atoms to form distorted edge-sharing MgMg6 pentagonal pyramids. All Mg–Mg bond lengths are 3.07 Å. In the second Mg site, Mg is bonded to three equivalent Sr and three equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MgSr3Mg3 pentagonal pyramids. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdInPt4 by Materials Project

GdPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Gd–Pt bond lengths are 3.19 Å. Pt1- is bonded to three equivalent Gd3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of corner, edge, and face-sharing PtGd3In3Pt6 cuboctahedra. There are three shorter (2.71 Å) and three longer (2.73 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.18 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Mg by Materials Project

Sr2Mg1 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 2-coordinate geometry to four equivalent Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.64–3.94 Å. Mg is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScF3 by Materials Project

ScF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc3+ is bonded in a 6-coordinate geometry to eight F1- atoms. There are a spread of Sc–F bond distances ranging from 2.00–2.51 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2Ir by Materials Project

Zr2Ir is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Ir atoms. All Zr–Ir bond lengths are 2.82 Å. Ir is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗