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At least 919 records · Page 51
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DOE OSTI2020

Materials Data on Mg16ScAl12 by Materials Project

Mg16ScAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.88–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Sc, and six equivalent Al atoms. The Mg–Sc bond length is 3.18 Å. All Mg–Al bond lengths are 3.11 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.19 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Sc, and three equivalent Al atoms. There are one shorter (2.68 Å) and two longer (2.75 Å) Al–Al bond lengths.

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DOE OSTI2020

Materials Data on Sc2GaCo by Materials Project

Sc2CoGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Ga atom. The Sc–Co bond length is 2.13 Å. The Sc–Ga bond length is 2.75 Å. Co is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2OsRh by Materials Project

Sc2OsRh 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 Rh atoms. All Sc–Os bond lengths are 2.79 Å. All Sc–Rh bond lengths are 2.79 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on Sc2SnAu2 by Materials Project

Sc2Au2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.83 Å) and four longer (2.90 Å) Sc–Au bond lengths. All Sc–Sn bond lengths are 3.37 Å. Au is bonded in a 6-coordinate geometry to six equivalent Sc and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.05 Å. Sn is bonded to eight equivalent Sc and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnSc8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCu4Sn by Materials Project

ScCu4Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent Sn atoms. All Sc–Cu bond lengths are 2.94 Å. All Sc–Sn bond lengths are 3.08 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSc3Cu6Sn3 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.52 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.95 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.

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DOE OSTI2020

Materials Data on Sc2AlGa by Materials Project

Sc2GaAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2GaAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ga and one Al atom. The Sc–Ga bond length is 2.70 Å. The Sc–Al bond length is 2.75 Å. Ga is bonded in a linear geometry to two equivalent Sc atoms. Al is bonded in a linear geometry to two equivalent Sc atoms.

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DOE OSTI2020

Materials Data on CeScAl4 by Materials Project

CeScAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Al atoms. All Ce–Sc bond lengths are 3.38 Å. All Ce–Al bond lengths are 3.23 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.24 Å. Al is bonded to three equivalent Ce, three equivalent Sc, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCe3Sc3Al6 cuboctahedra. There are three shorter (2.75 Å) and three longer (2.76 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CoCu by Materials Project

Sc2CoCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoCu ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Cu atom. The Sc–Co bond length is 2.08 Å. The Sc–Cu bond length is 2.64 Å. Co is bonded in a linear geometry to two equivalent Sc atoms. Cu is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScZnPd by Materials Project

ScPdZn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent Zn atoms. There are a spread of Sc–Pd bond distances ranging from 2.78–2.84 Å. There are two shorter (3.00 Å) and four longer (3.16 Å) Sc–Zn bond lengths. Pd is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Zn atoms. All Pd–Zn bond lengths are 2.69 Å. Zn is bonded to six equivalent Sc, four equivalent Pd, and two equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnSc6Zn2Pd4 cuboctahedra. Both Zn–Zn bond lengths are 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Sc(PO4)2 by Materials Project

Li2Sc(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 1.98–2.23 Å. Sc is bonded to six O atoms to form ScO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.08–2.18 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 20–54°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li, one Sc, and one P atom. In the second O site, O is bonded in a distorted T-shaped geometry to one Li, one Sc, and one P atom. In the third O site, O is bonded in a T-shaped geometry to one Li, one Sc, and one P atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li and one P atom.

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Materials Data on Sc2AlTl by Materials Project

Sc2TlAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2TlAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Tl and one Al atom. The Sc–Tl bond length is 2.87 Å. The Sc–Al bond length is 2.72 Å. Tl is bonded in a linear geometry to two equivalent Sc atoms. Al is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2GaPd by Materials Project

Sc2PdGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Ga atom. The Sc–Pd bond length is 2.40 Å. The Sc–Ga bond length is 2.64 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2TlV by Materials Project

Sc2VTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2VTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one V and one Tl atom. The Sc–V bond length is 2.61 Å. The Sc–Tl bond length is 2.97 Å. V is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CuRh by Materials Project

Sc2RhCu 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 Cu atoms. All Sc–Rh bond lengths are 2.81 Å. All Sc–Cu bond lengths are 2.81 Å. Rh 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 Sc2GaPd by Materials Project

Sc2PdGa 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 Pd and four equivalent Ga atoms. All Sc–Pd bond lengths are 2.90 Å. All Sc–Ga bond lengths are 2.90 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2GaRh by Materials Project

Sc2RhGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Ga atom. The Sc–Rh bond length is 2.28 Å. The Sc–Ga bond length is 2.74 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Ga is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CdHg by Materials Project

Sc2HgCd 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 Cd atoms. All Sc–Hg bond lengths are 3.06 Å. All Sc–Cd bond lengths are 3.06 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Zn by Materials Project

MgSc2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Zn ribbons oriented in the (1, 0, 0) direction. Mg is bonded in a linear geometry to two equivalent Sc atoms. Both Mg–Sc bond lengths are 3.08 Å. Sc is bonded in a linear geometry to one Mg and one Zn atom. The Sc–Zn bond length is 2.78 Å. Zn is bonded in a linear geometry to two equivalent Sc atoms.

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