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At least 901 records · Page 50
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DOE OSTI2020

Materials Data on ScZnPt by Materials Project

ScPtZn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to five equivalent Pt and six equivalent Zn atoms. There are a spread of Sc–Pt bond distances ranging from 2.78–2.86 Å. There are two shorter (3.00 Å) and four longer (3.18 Å) Sc–Zn bond lengths. Pt is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Zn atoms. All Pt–Zn bond lengths are 2.69 Å. Zn is bonded to six equivalent Sc, four equivalent Pt, and two equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing ZnSc6Zn2Pt4 cuboctahedra. Both Zn–Zn bond lengths are 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSc2Pd by Materials Project

LiSc2Pd 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 2.89 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms. All Sc–Pd bond lengths are 2.89 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2CdRu by Materials Project

Sc2RuCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RuCd ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ru and one Cd atom. The Sc–Ru bond length is 2.16 Å. The Sc–Cd bond length is 3.17 Å. Ru is bonded in a linear geometry to two equivalent Sc atoms. Cd is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCdNi4 by Materials Project

ScNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Sc–Ni bond lengths are 2.87 Å. All Sc–Cd bond lengths are 2.99 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent Cd atoms to form a mixture of corner, edge, and face-sharing NiSc3Cd3Ni6 cuboctahedra. There are three shorter (2.43 Å) and three longer (2.46 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.86 Å. Cd is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2ZnAg by Materials Project

Sc2AgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AgZn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ag and one Zn atom. The Sc–Ag bond length is 2.76 Å. The Sc–Zn bond length is 2.76 Å. Ag is bonded in a linear geometry to two equivalent Sc atoms. Zn is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScBC by Materials Project

ScBC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to six equivalent B and six equivalent C atoms to form a mixture of face and edge-sharing ScB6C6 cuboctahedra. All Sc–B bond lengths are 2.49 Å. All Sc–C bond lengths are 2.49 Å. B is bonded in a trigonal planar geometry to six equivalent Sc and three equivalent C atoms. All B–C bond lengths are 1.69 Å. C is bonded in a distorted trigonal planar geometry to six equivalent Sc and three equivalent B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Sc by Materials Project

Pr3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Sc atoms to form PrPr8Sc4 cuboctahedra that share corners with twelve equivalent PrPr8Sc4 cuboctahedra, edges with eight equivalent ScPr12 cuboctahedra, edges with sixteen PrPr8Sc4 cuboctahedra, faces with four equivalent ScPr12 cuboctahedra, and faces with fourteen PrPr8Sc4 cuboctahedra. All Pr–Pr bond lengths are 3.63 Å. All Pr–Sc bond lengths are 3.63 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Sc atoms to form PrPr8Sc4 cuboctahedra that share corners with four equivalent PrPr8Sc4 cuboctahedra, corners with eight equivalent ScPr12 cuboctahedra, edges with twenty-four PrPr8Sc4 cuboctahedra, faces with six equivalent ScPr12 cuboctahedra, and faces with twelve PrPr8Sc4 cuboctahedra. All Pr–Sc bond lengths are 3.63 Å. Sc is bonded to twelve Pr atoms to form ScPr12 cuboctahedra that share corners with four equivalent ScPr12 cuboctahedra, corners with eight equivalent PrPr8Sc4 cuboctahedra, edges with eight equivalent ScPr12 cuboctahedra, edges with sixteen equivalent PrPr8Sc4 cuboctahedra, faces with four equivalent ScPr12 cuboctahedra, and faces with fourteen PrPr8Sc4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2ZnPd by Materials Project

Sc2PdZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdZn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Zn atom. The Sc–Pd bond length is 2.38 Å. The Sc–Zn bond length is 2.74 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Zn is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScCo2Ge by Materials Project

ScCo2Ge 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 eight equivalent Co and six equivalent Ge atoms. All Sc–Co bond lengths are 2.58 Å. All Sc–Ge bond lengths are 2.98 Å. Co is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ge atoms. All Co–Ge bond lengths are 2.58 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Sc by Materials Project

La3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with twelve equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces with fourteen LaLa8Sc4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.64 Å) La–La bond lengths. All La–Sc bond lengths are 3.64 Å. In the second La site, La is bonded to eight equivalent La and four equivalent Sc atoms to form LaLa8Sc4 cuboctahedra that share corners with four equivalent LaLa8Sc4 cuboctahedra, corners with eight equivalent ScLa12 cuboctahedra, edges with twenty-four LaLa8Sc4 cuboctahedra, faces with six equivalent ScLa12 cuboctahedra, and faces with twelve LaLa8Sc4 cuboctahedra. All La–Sc bond lengths are 3.59 Å. Sc is bonded to twelve La atoms to form ScLa12 cuboctahedra that share corners with four equivalent ScLa12 cuboctahedra, corners with eight equivalent LaLa8Sc4 cuboctahedra, edges with eight equivalent ScLa12 cuboctahedra, edges with sixteen equivalent LaLa8Sc4 cuboctahedra, faces with four equivalent ScLa12 cuboctahedra, and faces with fourteen LaLa8Sc4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2AlHg by Materials Project

Sc2HgAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2HgAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Hg and one Al atom. The Sc–Hg bond length is 2.98 Å. The Sc–Al bond length is 2.79 Å. Hg 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 Sc2ZnPd by Materials Project

Sc2PdZn 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 Zn atoms. All Sc–Pd bond lengths are 2.89 Å. All Sc–Zn bond lengths are 2.89 Å. Pd 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 Sc4Ge6Ir7 by Materials Project

Sc4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ir and six equivalent Ge atoms to form ScGe6Ir6 cuboctahedra that share corners with twelve equivalent ScGe6Ir6 cuboctahedra, faces with six equivalent ScGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Sc–Ir bond lengths are 2.90 Å. All Sc–Ge bond lengths are 2.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent ScGe6Ir6 cuboctahedra. All Ir–Ge 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 Ge atoms. All Ir–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Au by Materials Project

MgSc2Au crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Au 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 3.22 Å. Sc is bonded in a distorted linear geometry to one Mg and one Au atom. The Sc–Au bond length is 2.58 Å. Au is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2InGa by Materials Project

Sc2InGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2InGa ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one In and one Ga atom. The Sc–In bond length is 2.88 Å. The Sc–Ga bond length is 2.62 Å. In 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 Sc2BeTl by Materials Project

BeSc2Tl crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two BeSc2Tl ribbons oriented in the (0, 0, 1) direction. Be is bonded in a linear geometry to two equivalent Sc atoms. Both Be–Sc bond lengths are 2.58 Å. Sc is bonded in a linear geometry to one Be and one Tl atom. The Sc–Tl bond length is 2.96 Å. Tl is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSc2Hg by Materials Project

MgSc2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Hg 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 3.04 Å. Sc is bonded in a linear geometry to one Mg and one Hg atom. The Sc–Hg bond length is 2.90 Å. Hg is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2InCu by Materials Project

Sc2CuIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CuIn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Cu and one In atom. The Sc–Cu bond length is 2.60 Å. The Sc–In bond length is 2.94 Å. Cu is bonded in a linear geometry to two equivalent Sc atoms. In is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗