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At least 1,297 records · Page 72
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DOE OSTI2020

Materials Data on LuSbPd2 by Materials Project

LuPd2Sb 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 and six equivalent Sb atoms. All Lu–Pd bond lengths are 2.92 Å. All Lu–Sb bond lengths are 3.38 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Lu and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.92 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Lu and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSbPd2 by Materials Project

YPd2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Sb atoms. All Y–Pd bond lengths are 2.96 Å. All Y–Sb bond lengths are 3.41 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.96 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Y and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSbPd2 by Materials Project

YbPd2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Sb atoms. All Yb–Pd bond lengths are 2.92 Å. All Yb–Sb bond lengths are 3.37 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Yb and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.92 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSbRh2 by Materials Project

LuRh2Sb 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 and six equivalent Sb atoms. All Lu–Rh bond lengths are 2.85 Å. All Lu–Sb bond lengths are 3.30 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.85 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuSbRu2 by Materials Project

LuRu2Sb 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 Ru and six equivalent Sb atoms. All Lu–Ru bond lengths are 2.82 Å. All Lu–Sb bond lengths are 3.25 Å. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Lu and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.82 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Lu and eight equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSbPd2 by Materials Project

TmPd2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Sb atoms. All Tm–Pd bond lengths are 2.94 Å. All Tm–Sb bond lengths are 3.39 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.94 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Sb2Au3 by Materials Project

K3Au3Sb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. All K–Au bond lengths are 4.07 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to six equivalent Au1- and one Sb atom. All K–Au bond lengths are 3.64 Å. The K–Sb bond length is 3.52 Å. Au1- is bonded in a 2-coordinate geometry to six K1+ and two equivalent Sb atoms. Both Au–Sb bond lengths are 2.71 Å. Sb is bonded in a 7-coordinate geometry to one K1+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Sb2Au3 by Materials Project

Rb3Au3Sb2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. All Rb–Au bond lengths are 4.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six equivalent Au1- and one Sb atom. All Rb–Au bond lengths are 3.79 Å. The Rb–Sb bond length is 3.66 Å. Au1- is bonded in a distorted linear geometry to six Rb1+ and two equivalent Sb atoms. Both Au–Sb bond lengths are 2.69 Å. Sb is bonded in a 4-coordinate geometry to one Rb1+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5Ni2Sb by Materials Project

Dy5Ni2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to three equivalent Ni and two equivalent Sb atoms to form distorted DyNi3Sb2 trigonal bipyramids that share corners with four equivalent DyNi4Sb2 octahedra, corners with twelve equivalent DyNi3Sb2 trigonal bipyramids, edges with seven equivalent DyNi3Sb2 trigonal bipyramids, faces with two equivalent DyNi4Sb2 octahedra, and a faceface with one DyNi3Sb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.87 Å) and one longer (2.93 Å) Dy–Ni bond lengths. Both Dy–Sb bond lengths are 3.25 Å. In the second Dy site, Dy is bonded to four equivalent Ni and two equivalent Sb atoms to form distorted DyNi4Sb2 octahedra that share corners with six equivalent DyNi4Sb2 octahedra, corners with sixteen equivalent DyNi3Sb2 trigonal bipyramids, and faces with eight equivalent DyNi3Sb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Dy–Ni bond lengths are 2.98 Å. Both Dy–Sb bond lengths are 3.35 Å. Ni is bonded in a 8-coordinate geometry to eight Dy atoms. Sb is bonded in a distorted q6 geometry to ten Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbFeSb by Materials Project

FeNbSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a 10-coordinate geometry to four equivalent Fe and six equivalent Sb atoms. All Nb–Fe bond lengths are 2.58 Å. All Nb–Sb bond lengths are 2.98 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Sb atoms. All Fe–Sb bond lengths are 2.58 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Nb and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrFeSb by Materials Project

ZrFeSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Fe and six equivalent Sb atoms. All Zr–Fe bond lengths are 2.68 Å. All Zr–Sb bond lengths are 3.09 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sb atoms. All Fe–Sb bond lengths are 2.68 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3Sb4Rh3 by Materials Project

U3Rh3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent Rh and eight equivalent Sb atoms. All U–Rh bond lengths are 2.94 Å. There are four shorter (3.28 Å) and four longer (3.37 Å) U–Sb bond lengths. Rh is bonded in a 8-coordinate geometry to four equivalent U and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.70 Å. Sb is bonded in a 3-coordinate geometry to six equivalent U and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm5Sb3 by Materials Project

Tm5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Tm–Sb bond lengths are 3.12 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Tm–Sb bond distances ranging from 3.04–3.41 Å. Sb is bonded in a 9-coordinate geometry to nine Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3Sb by Materials Project

Re3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Sb atoms. All Re–Re bond lengths are 2.77 Å. All Re–Sb bond lengths are 2.77 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to eight equivalent Re and six equivalent Sb atoms. All Re–Sb bond lengths are 3.20 Å. Sb is bonded in a distorted body-centered cubic geometry to fourteen Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSbPd2 by Materials Project

MgPd2Sb 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 Pd and six equivalent Sb atoms. All Mg–Pd bond lengths are 2.84 Å. All Mg–Sb bond lengths are 3.28 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Sb atoms. All Pd–Sb bond lengths are 2.84 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3Sb by Materials Project

Sc3Sb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent Sb atoms to form distorted ScSc8Sb4 cuboctahedra that share corners with twelve equivalent ScSc8Sb4 cuboctahedra, edges with eight equivalent ScSc8Sb4 cuboctahedra, edges with eight equivalent SbSc12 cuboctahedra, faces with four equivalent SbSc12 cuboctahedra, and faces with ten equivalent ScSc8Sb4 cuboctahedra. There are four shorter (3.07 Å) and four longer (3.27 Å) Sc–Sc bond lengths. All Sc–Sb bond lengths are 3.27 Å. In the second Sc site, Sc is bonded in a square co-planar geometry to eight equivalent Sc and four equivalent Sb atoms. All Sc–Sb bond lengths are 3.07 Å. Sb is bonded to twelve Sc atoms to form SbSc12 cuboctahedra that share corners with four equivalent SbSc12 cuboctahedra, edges with eight equivalent SbSc12 cuboctahedra, edges with sixteen equivalent ScSc8Sb4 cuboctahedra, faces with four equivalent SbSc12 cuboctahedra, and faces with eight equivalent ScSc8Sb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Sb4Au3 by Materials Project

Sm3Au3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to four equivalent Au1- and eight equivalent Sb+1.50- atoms. All Sm–Au bond lengths are 3.08 Å. There are four shorter (3.42 Å) and four longer (3.54 Å) Sm–Sb bond lengths. Au1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+1.50- atoms. All Au–Sb bond lengths are 2.84 Å. Sb+1.50- is bonded in a 3-coordinate geometry to six equivalent Sm3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm5Sb3 by Materials Project

Sm5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Sm–Sb bond distances ranging from 3.12–3.46 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Sm–Sb bond lengths are 3.27 Å. Sb is bonded in a 9-coordinate geometry to nine Sm atoms.

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