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At least 1,135 records · Page 63
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DOE OSTI2020

Materials Data on MgSbPt by Materials Project

MgPtSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to four equivalent Pt and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing MgSb6Pt4 tetrahedra. All Mg–Pt bond lengths are 2.75 Å. All Mg–Sb bond lengths are 3.18 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sb atoms. All Pt–Sb bond lengths are 2.75 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiNi2Sb by Materials Project

TiNi2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sb atoms. All Ti–Ni bond lengths are 2.65 Å. All Ti–Sb bond lengths are 3.06 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.65 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Ni2Sb by Materials Project

Ho5Ni2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ni and two equivalent Sb atoms to form distorted HoNi3Sb2 trigonal bipyramids that share corners with four equivalent HoNi4Sb2 octahedra, corners with twelve equivalent HoNi3Sb2 trigonal bipyramids, edges with seven equivalent HoNi3Sb2 trigonal bipyramids, faces with two equivalent HoNi4Sb2 octahedra, and a faceface with one HoNi3Sb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.86 Å) and one longer (2.92 Å) Ho–Ni bond lengths. Both Ho–Sb bond lengths are 3.23 Å. In the second Ho site, Ho is bonded to four equivalent Ni and two equivalent Sb atoms to form distorted HoNi4Sb2 octahedra that share corners with six equivalent HoNi4Sb2 octahedra, corners with sixteen equivalent HoNi3Sb2 trigonal bipyramids, and faces with eight equivalent HoNi3Sb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Ho–Ni bond lengths are 2.97 Å. Both Ho–Sb bond lengths are 3.34 Å. Ni is bonded in a 9-coordinate geometry to eight Ho atoms. Sb is bonded in a distorted q6 geometry to ten Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSbRh by Materials Project

ThRhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Th is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted corner and face-sharing ThSb6Rh4 tetrahedra. All Th–Rh bond lengths are 2.91 Å. All Th–Sb bond lengths are 3.36 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.91 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Th and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on USbRh by Materials Project

URhSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded to four equivalent Rh and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing USb6Rh4 tetrahedra. All U–Rh bond lengths are 2.83 Å. All U–Sb bond lengths are 3.27 Å. Rh is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.83 Å. Sb is bonded in a 10-coordinate geometry to six equivalent U and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiFeSb by Materials Project

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

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VFeSb by Materials Project

FeVSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Sb atoms. All V–Fe bond lengths are 2.63 Å. All V–Sb bond lengths are 2.63 Å. Fe is bonded in a 4-coordinate geometry to four equivalent V and six equivalent Sb atoms. All Fe–Sb bond lengths are 3.04 Å. Sb is bonded to four equivalent V and six equivalent Fe atoms to form a mixture of distorted face and corner-sharing SbV4Fe6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5ZnSb3 by Materials Project

Zr5ZnSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSbIr by Materials Project

SmIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Sb atoms. There are a spread of Sm–Ir bond distances ranging from 3.06–3.55 Å. There are a spread of Sm–Sb bond distances ranging from 3.20–3.38 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.69–2.80 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6FeSb2 by Materials Project

Sc6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Sc–Fe bond length is 2.98 Å. All Sc–Sb bond lengths are 3.07 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Sc–Fe bond lengths are 2.64 Å. Both Sc–Sb bond lengths are 3.02 Å. Fe is bonded in a 9-coordinate geometry to nine Sc atoms. Sb is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y6FeSb2 by Materials Project

Y6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Y–Fe bond lengths are 2.83 Å. Both Y–Sb bond lengths are 3.23 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Y–Fe bond length is 3.28 Å. All Y–Sb bond lengths are 3.26 Å. Fe is bonded in a 9-coordinate geometry to nine Y atoms. Sb is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6FeSb2 by Materials Project

Lu6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Lu–Fe bond lengths are 2.76 Å. Both Lu–Sb bond lengths are 3.15 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Lu–Fe bond length is 3.12 Å. All Lu–Sb bond lengths are 3.21 Å. Fe is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm6FeSb2 by Materials Project

Tm6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Tm–Fe bond lengths are 2.79 Å. Both Tm–Sb bond lengths are 3.18 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Tm–Fe bond length is 3.19 Å. All Tm–Sb bond lengths are 3.22 Å. Fe is bonded in a 9-coordinate geometry to nine Tm atoms. Sb is bonded in a 9-coordinate geometry to nine Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YNiSb by Materials Project

NiYSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Y–Ni bond lengths are 2.76 Å. All Y–Sb bond lengths are 3.18 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.76 Å. Sb is bonded in a distorted q6 geometry to six equivalent Y and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm5(SiSb)2 by Materials Project

Tm5Sb2Si2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to three equivalent Si and three equivalent Sb atoms to form distorted TmSi3Sb3 pentagonal pyramids that share corners with three equivalent TmSi4Sb2 octahedra, corners with ten equivalent TmSi3Sb3 pentagonal pyramids, edges with seven equivalent TmSi3Sb3 pentagonal pyramids, faces with two equivalent TmSi4Sb2 octahedra, and faces with two equivalent TmSi3Sb3 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 36–41°. There are one shorter (2.89 Å) and two longer (2.98 Å) Tm–Si bond lengths. There are one shorter (3.11 Å) and two longer (3.14 Å) Tm–Sb bond lengths. In the second Tm site, Tm is bonded to four equivalent Si and two equivalent Sb atoms to form TmSi4Sb2 octahedra that share corners with four equivalent TmSi4Sb2 octahedra, corners with twelve equivalent TmSi3Sb3 pentagonal pyramids, and faces with eight equivalent TmSi3Sb3 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. There are two shorter (3.02 Å) and two longer (3.03 Å) Tm–Si bond lengths. Both Tm–Sb bond lengths are 3.07 Å. Si is bonded in a 8-coordinate geometry to eight Tm atoms. Sb is bonded to seven Tm atoms to form a mixture of distorted edge and corner-sharing SbTm7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Sb2Mo by Materials Project

Lu6MoSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 5-coordinate geometry to one Mo and four equivalent Sb atoms. The Lu–Mo bond length is 3.12 Å. All Lu–Sb bond lengths are 3.27 Å. In the second Lu site, Lu is bonded to two equivalent Mo and two equivalent Sb atoms to form a mixture of distorted corner and edge-sharing LuSb2Mo2 tetrahedra. Both Lu–Mo bond lengths are 2.88 Å. Both Lu–Sb bond lengths are 3.11 Å. Mo is bonded in a 9-coordinate geometry to nine Lu atoms. Sb is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySbPd by Materials Project

DyPdSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Pd and six equivalent Sb atoms. There are three shorter (2.93 Å) and three longer (3.64 Å) Dy–Pd bond lengths. There are three shorter (3.15 Å) and three longer (3.34 Å) Dy–Sb bond lengths. Pd is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Sb atoms. There are three shorter (2.78 Å) and one longer (2.91 Å) Pd–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Sb by Materials Project

Nd2Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing NdSb5 square pyramids. There are one shorter (3.25 Å) and four longer (3.32 Å) Nd–Sb bond lengths. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Sb atoms. All Nd–Sb bond lengths are 3.36 Å. Sb is bonded in a 9-coordinate geometry to nine Nd atoms.

36 MATERIALS SCIENCE↗