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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on Sc2InHg by Materials Project

Sc2HgIn 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 Hg and four equivalent In atoms. All Sc–Hg bond lengths are 3.07 Å. All Sc–In bond lengths are 3.07 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2PtRh by Materials Project

Sc2RhPt 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 Rh and four equivalent Pt atoms. All Sc–Rh bond lengths are 2.83 Å. All Sc–Pt bond lengths are 2.83 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2TiTl by Materials Project

Sc2TiTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2TiTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ti and one Tl atom. The Sc–Ti bond length is 2.36 Å. The Sc–Tl bond length is 2.98 Å. Ti is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2IrPt by Materials Project

Sc2IrPt crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2IrPt ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ir and one Pt atom. The Sc–Ir bond length is 2.30 Å. The Sc–Pt bond length is 2.45 Å. Ir is bonded in a linear geometry to two equivalent Sc atoms. Pt is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2TlPd by Materials Project

Sc2PdTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Tl atom. The Sc–Pd bond length is 2.38 Å. The Sc–Tl bond length is 2.81 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2ZnRh by Materials Project

Sc2RhZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhZn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Zn atom. The Sc–Rh bond length is 2.22 Å. The Sc–Zn bond length is 2.91 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Zn is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on ScGeIr by Materials Project

ScIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Sc–Ir bond distances ranging from 2.93–3.11 Å. There are a spread of Sc–Ge bond distances ranging from 2.84–2.92 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.53 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Ir atoms.

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Materials Data on LiScSn by Materials Project

LiScSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded to four equivalent Sc and six equivalent Sn atoms to form distorted LiSc4Sn6 tetrahedra that share corners with four equivalent SnLi6Sc4 tetrahedra, corners with six equivalent LiSc4Sn6 tetrahedra, edges with six equivalent SnLi6Sc4 tetrahedra, and faces with twelve equivalent LiSc4Sn6 tetrahedra. All Li–Sc bond lengths are 2.92 Å. All Li–Sn bond lengths are 3.38 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sn atoms. All Sc–Sn bond lengths are 2.92 Å. Sn is bonded to six equivalent Li and four equivalent Sc atoms to form distorted SnLi6Sc4 tetrahedra that share corners with four equivalent LiSc4Sn6 tetrahedra, corners with six equivalent SnLi6Sc4 tetrahedra, edges with six equivalent LiSc4Sn6 tetrahedra, and faces with twelve equivalent SnLi6Sc4 tetrahedra.

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Materials Data on Sc2CuAg by Materials Project

Sc2AgCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AgCu ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ag and one Cu atom. The Sc–Ag bond length is 2.71 Å. The Sc–Cu bond length is 2.47 Å. Ag is bonded in a linear geometry to two equivalent Sc atoms. Cu is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on YbScAl4 by Materials Project

YbScAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Al atoms. All Yb–Sc bond lengths are 3.37 Å. All Yb–Al bond lengths are 3.22 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Yb and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.22 Å. Al is bonded to three equivalent Yb, three equivalent Sc, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlYb3Sc3Al6 cuboctahedra. There are three shorter (2.74 Å) and three longer (2.75 Å) Al–Al bond lengths.

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Materials Data on Sc2CdPt by Materials Project

Sc2PtCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PtCd ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pt and one Cd atom. The Sc–Pt bond length is 2.36 Å. The Sc–Cd bond length is 3.10 Å. Pt is bonded in a linear geometry to two equivalent Sc atoms. Cd is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc4Si6Ir7 by Materials Project

Sc4Ir7Si6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ir and six equivalent Si atoms to form ScSi6Ir6 cuboctahedra that share corners with twelve equivalent ScSi6Ir6 cuboctahedra, faces with six equivalent ScSi6Ir6 cuboctahedra, and faces with two equivalent IrSi6 octahedra. All Sc–Ir bond lengths are 2.85 Å. All Sc–Si bond lengths are 2.91 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Si atoms to form IrSi6 octahedra that share faces with eight equivalent ScSi6Ir6 cuboctahedra. All Ir–Si bond lengths are 2.56 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Si atoms. All Ir–Si bond lengths are 2.50 Å. Si is bonded in a 9-coordinate geometry to four equivalent Sc and five Ir atoms.

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Materials Data on Sc2CdOs by Materials Project

Sc2OsCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2OsCd ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Os and one Cd atom. The Sc–Os bond length is 2.24 Å. The Sc–Cd bond length is 3.16 Å. Os is bonded in a linear geometry to two equivalent Sc atoms. Cd is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2TlZn by Materials Project

Sc2ZnTl 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 Zn and four equivalent Tl atoms. All Sc–Zn bond lengths are 3.02 Å. All Sc–Tl bond lengths are 3.02 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on BaSc8Ni2O15 by Materials Project

BaSc8Ni2O15 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.41 Å. There are five inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form distorted ScO6 octahedra that share corners with seven ScO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with four ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–56°. There are a spread of Sc–O bond distances ranging from 2.04–2.43 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form distorted ScO6 octahedra that share corners with three ScO6 octahedra, corners with four equivalent NiO6 octahedra, and edges with six ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–57°. There are a spread of Sc–O bond distances ranging from 2.03–2.42 Å. In the third Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, edges with two equivalent NiO6 octahedra, and edges with five ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–62°. There are a spread of Sc–O bond distances ranging from 2.04–2.37 Å. In the fourth Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with three ScO6 octahedra, an edgeedge with one NiO6 octahedra, and edges with six ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–62°. There are a spread of Sc–O bond distances ranging from 2.06–2.29 Å. In the fifth Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share a cornercorner with one NiO6 octahedra, corners with four ScO6 octahedra, an edgeedge with one NiO6 octahedra, edges with four ScO6 octahedra, and a faceface with one NiO6 octahedra. The corner-sharing octahedra tilt angles range from 10–54°. There are a spread of Sc–O bond distances ranging from 2.06–2.19 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with five ScO6 octahedra, edges with five ScO6 octahedra, and a faceface with one ScO6 octahedra. The corner-sharing octahedra tilt angles range from 10–52°. There are a spread of Ni–O bond distances ranging from 2.08–2.18 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+, three Sc3+, and one Ni2+ atom. In the second O2- site, O2- is bonded to one Ba2+, three Sc3+, and one Ni2+ atom to form distorted OBaSc3Ni trigonal pyramids that share an edgeedge with one OSc6 octahedra and an edgeedge with one OBaSc3Ni trigonal pyramid. In the third O2- site, O2- is bonded to six Sc3+ atoms to form edge-sharing OSc6 octahedra. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ba2+, three Sc3+, and one Ni2+ atom. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Ba2+, three Sc3+, and one Ni2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Sc3+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Ba2+ and three Sc3+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Sc3+ and one Ni2+ atom. In the ninth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Ba2+, three Sc3+, and one Ni2+ atom.

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Materials Data on Sc2IrOs by Materials Project

Sc2OsIr 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 Ir atoms. All Sc–Os bond lengths are 2.79 Å. All Sc–Ir bond lengths are 2.79 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2AgPt by Materials Project

Sc2PtAg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PtAg ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pt and one Ag atom. The Sc–Pt bond length is 2.35 Å. The Sc–Ag bond length is 2.83 Å. Pt is bonded in a linear geometry to two equivalent Sc atoms. Ag is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSc2Pd by Materials Project

LiSc2Pd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2Pd ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Sc atoms. Both Li–Sc bond lengths are 3.23 Å. Sc is bonded in a linear geometry to one Li and one Pd atom. The Sc–Pd bond length is 2.36 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms.

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