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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc3In by Materials Project

Sc3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent In atoms to form distorted ScSc8In4 cuboctahedra that share corners with four equivalent InSc12 cuboctahedra, corners with fourteen equivalent ScSc8In4 cuboctahedra, edges with six equivalent InSc12 cuboctahedra, edges with twelve equivalent ScSc8In4 cuboctahedra, faces with four equivalent InSc12 cuboctahedra, and faces with sixteen equivalent ScSc8In4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.18–3.24 Å. There are two shorter (3.19 Å) and two longer (3.21 Å) Sc–In bond lengths. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with six equivalent InSc12 cuboctahedra, corners with twelve equivalent ScSc8In4 cuboctahedra, edges with eighteen equivalent ScSc8In4 cuboctahedra, faces with eight equivalent InSc12 cuboctahedra, and faces with twelve equivalent ScSc8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScIn3 by Materials Project

In3Sc is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent In atoms to form ScIn12 cuboctahedra that share corners with twelve equivalent ScIn12 cuboctahedra, edges with twenty-four equivalent InSc4In8 cuboctahedra, faces with six equivalent ScIn12 cuboctahedra, and faces with twelve equivalent InSc4In8 cuboctahedra. All Sc–In bond lengths are 3.21 Å. In is bonded to four equivalent Sc and eight equivalent In atoms to form distorted InSc4In8 cuboctahedra that share corners with twelve equivalent InSc4In8 cuboctahedra, edges with eight equivalent ScIn12 cuboctahedra, edges with sixteen equivalent InSc4In8 cuboctahedra, faces with four equivalent ScIn12 cuboctahedra, and faces with fourteen equivalent InSc4In8 cuboctahedra. All In–In bond lengths are 3.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2In by Materials Project

Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc3In by Materials Project

Sc3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent In atoms to form distorted ScSc8In4 cuboctahedra that share corners with twelve equivalent ScSc8In4 cuboctahedra, edges with eight equivalent InSc12 cuboctahedra, edges with sixteen equivalent ScSc8In4 cuboctahedra, faces with four equivalent InSc12 cuboctahedra, and faces with fourteen equivalent ScSc8In4 cuboctahedra. All Sc–Sc bond lengths are 3.21 Å. All Sc–In bond lengths are 3.21 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, edges with twenty-four equivalent ScSc8In4 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with twelve equivalent ScSc8In4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScIn2 by Materials Project

ScIn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Sc–In bond distances ranging from 3.09–3.22 Å. There are three inequivalent In sites. In the first In site, In is bonded to six equivalent Sc and six In atoms to form a mixture of distorted edge, face, and corner-sharing InSc6In6 cuboctahedra. There are a spread of In–In bond distances ranging from 3.04–3.30 Å. In the second In site, In is bonded to four equivalent Sc and four equivalent In atoms to form a mixture of distorted edge and corner-sharing InSc4In4 cuboctahedra. In the third In site, In is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent In atoms.

36 MATERIALS SCIENCE↗