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At least 793 records · Page 44
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DOE OSTI2020

Materials Data on LiSc2Os by Materials Project

LiSc2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc and six equivalent Os atoms. All Li–Sc bond lengths are 2.83 Å. All Li–Os bond lengths are 3.27 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Sc–Os bond lengths are 2.83 Å. Os is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on LiSc2Au by Materials Project

LiSc2Au 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 Sc atoms. All Li–Sc bond lengths are 2.94 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms. All Sc–Au bond lengths are 2.94 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on LiSc2Pt by Materials Project

LiSc2Pt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. All Li–Sc bond lengths are 2.86 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms. All Sc–Pt bond lengths are 2.86 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on LiSc2Rh by Materials Project

LiSc2Rh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc and six equivalent Rh atoms. All Li–Sc bond lengths are 2.85 Å. All Li–Rh bond lengths are 3.29 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms. All Sc–Rh bond lengths are 2.85 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on LiSc2Ru by Materials Project

LiSc2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc and six equivalent Ru atoms. All Li–Sc bond lengths are 2.84 Å. All Li–Ru bond lengths are 3.27 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.84 Å. Ru is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSc2Tc by Materials Project

LiSc2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Sc and six equivalent Tc atoms. All Li–Sc bond lengths are 2.85 Å. All Li–Tc bond lengths are 3.30 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tc atoms. All Sc–Tc bond lengths are 2.85 Å. Tc is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Cd by Materials Project

MgSc2Cd 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 Sc atoms. All Mg–Sc bond lengths are 3.08 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Sc–Cd bond lengths are 3.08 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Ru by Materials Project

MgSc2Ru is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Sc and six equivalent Ru atoms. All Mg–Sc bond lengths are 2.90 Å. All Mg–Ru bond lengths are 3.35 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.90 Å. Ru is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Tl by Materials Project

MgSc2Tl 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 Sc atoms. All Mg–Sc bond lengths are 3.10 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Tl atoms. All Sc–Tl bond lengths are 3.10 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Os by Materials Project

MgSc2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Sc and six equivalent Os atoms. All Mg–Sc bond lengths are 2.89 Å. All Mg–Os bond lengths are 3.34 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Os atoms. All Sc–Os bond lengths are 2.89 Å. Os is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Tc by Materials Project

MgSc2Tc is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Sc and six equivalent Tc atoms. All Mg–Sc bond lengths are 2.92 Å. All Mg–Tc bond lengths are 3.37 Å. Sc is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tc atoms. All Sc–Tc bond lengths are 2.92 Å. Tc is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScZn2Ag by Materials Project

ScAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Sc–Ag bond lengths are 3.24 Å. All Sc–Zn bond lengths are 2.81 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.81 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CoOs by Materials Project

Sc2OsCo is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Co atoms. All Sc–Os bond lengths are 2.76 Å. All Sc–Co bond lengths are 2.76 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on Sc2CuPt by Materials Project

Sc2PtCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Cu atoms. All Sc–Pt bond lengths are 2.83 Å. All Sc–Cu bond lengths are 2.83 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3OsC4 by Materials Project

Sc3OsC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to eight C2- atoms to form distorted ScC8 hexagonal bipyramids that share corners with eight CSc5OsC pentagonal bipyramids and faces with two equivalent ScOs4C8 cuboctahedra. There are four shorter (2.42 Å) and four longer (2.43 Å) Sc–C bond lengths. In the second Sc3+ site, Sc3+ is bonded to four equivalent Os1- and eight C2- atoms to form ScOs4C8 cuboctahedra that share corners with eight CSc5OsC pentagonal bipyramids, edges with two equivalent ScOs4C8 cuboctahedra, edges with eight CSc5OsC pentagonal bipyramids, and faces with two equivalent ScC8 hexagonal bipyramids. All Sc–Os bond lengths are 2.75 Å. There are four shorter (2.41 Å) and four longer (2.42 Å) Sc–C bond lengths. In the third Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C2- atoms. There are a spread of Sc–C bond distances ranging from 2.37–2.40 Å. In the fourth Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six C2- atoms. There are a spread of Sc–C bond distances ranging from 2.36–2.40 Å. Os1- is bonded in a distorted square co-planar geometry to two equivalent Sc3+ and four C2- atoms. All Os–C bond lengths are 2.20 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five Sc3+, one Os1-, and one C2- atom to form distorted CSc5OsC pentagonal bipyramids that share a cornercorner with one ScOs4C8 cuboctahedra, a cornercorner with one ScC8 hexagonal bipyramid, corners with thirteen CSc5OsC pentagonal bipyramids, an edgeedge with one ScOs4C8 cuboctahedra, edges with five CSc5OsC pentagonal bipyramids, and faces with three CSc5OsC pentagonal bipyramids. The C–C bond length is 1.44 Å. In the second C2- site, C2- is bonded to five Sc3+, one Os1-, and one C2- atom to form distorted CSc5OsC pentagonal bipyramids that share a cornercorner with one ScOs4C8 cuboctahedra, a cornercorner with one ScC8 hexagonal bipyramid, corners with thirteen CSc5OsC pentagonal bipyramids, an edgeedge with one ScOs4C8 cuboctahedra, edges with five CSc5OsC pentagonal bipyramids, and faces with three CSc5OsC pentagonal bipyramids. The C–C bond length is 1.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2ZnIr by Materials Project

Sc2IrZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Zn atoms. All Sc–Ir bond lengths are 2.84 Å. All Sc–Zn bond lengths are 2.84 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSnRu2 by Materials Project

ScRu2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru and six equivalent Sn atoms. All Sc–Ru bond lengths are 2.79 Å. All Sc–Sn bond lengths are 3.22 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Ru–Sn bond lengths are 2.79 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CuAu by Materials Project

Sc2AuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Cu atoms. All Sc–Au bond lengths are 2.89 Å. All Sc–Cu bond lengths are 2.89 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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