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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on Pu3Sc by Materials Project

Pu3Sc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a distorted body-centered cubic geometry to four equivalent Pu and four equivalent Sc atoms. All Pu–Pu bond lengths are 3.07 Å. All Pu–Sc bond lengths are 3.07 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to eight equivalent Pu and six equivalent Sc atoms. All Pu–Sc bond lengths are 3.55 Å. Sc is bonded in a distorted body-centered cubic geometry to fourteen Pu atoms.

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Materials Data on MgSc2In by Materials Project

MgSc2In 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 In atoms. All Sc–In bond lengths are 3.08 Å. In is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2ZnCu by Materials Project

Sc2CuZn 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 Cu and four equivalent Zn atoms. All Sc–Cu bond lengths are 2.86 Å. All Sc–Zn bond lengths are 2.86 Å. Cu 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.

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Materials Data on Sc2MnC by Materials Project

Sc2MnC 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 four equivalent Mn and four equivalent C atoms. All Sc–Mn bond lengths are 2.61 Å. All Sc–C bond lengths are 2.61 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. C is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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DOE OSTI2020

Materials Data on Sc2MnGe by Materials Project

Sc2MnGe 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 Mn and four equivalent Ge atoms. All Sc–Mn bond lengths are 2.87 Å. All Sc–Ge bond lengths are 2.87 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2MnSn by Materials Project

Sc2MnSn 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 Mn and four equivalent Sn atoms. All Sc–Mn bond lengths are 2.99 Å. All Sc–Sn bond lengths are 2.99 Å. Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on ScGa5Co by Materials Project

ScCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Ga atoms to form ScGa12 cuboctahedra that share corners with four equivalent ScGa12 cuboctahedra, faces with four equivalent ScGa12 cuboctahedra, and faces with four equivalent GaSc4Ga8 cuboctahedra. There are eight shorter (2.89 Å) and four longer (2.94 Å) Sc–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.45 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sc, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.94 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sc, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.94 Å. In the third Ga site, Ga is bonded to four equivalent Sc and eight Ga atoms to form GaSc4Ga8 cuboctahedra that share corners with four equivalent GaSc4Ga8 cuboctahedra, faces with four equivalent ScGa12 cuboctahedra, and faces with four equivalent GaSc4Ga8 cuboctahedra.

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Materials Data on ScSiIr by Materials Project

ScIrSi 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 Si atoms. There are a spread of Sc–Ir bond distances ranging from 2.90–3.07 Å. There are a spread of Sc–Si bond distances ranging from 2.80–2.88 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Si atoms. There are three shorter (2.46 Å) and one longer (2.49 Å) Ir–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Ir atoms.

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Materials Data on Sc2NiPd by Materials Project

Sc2PdNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdNi ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Ni atom. The Sc–Pd bond length is 2.47 Å. The Sc–Ni bond length is 2.26 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Ni is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Dy3Sc2S7 by Materials Project

Dy3Sc2S7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form DyS6 octahedra that share corners with two equivalent ScS6 octahedra and edges with two equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.68 Å) and four longer (2.70 Å) Dy–S bond lengths. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Dy–S bond distances ranging from 2.72–3.03 Å. Sc+2.50+ is bonded to six S2- atoms to form ScS6 octahedra that share a cornercorner with one DyS6 octahedra, corners with two equivalent ScS6 octahedra, and edges with five equivalent ScS6 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are a spread of Sc–S bond distances ranging from 2.55–2.67 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a square co-planar geometry to four equivalent Sc+2.50+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Dy3+ atoms. In the third S2- site, S2- is bonded to three Dy3+ and one Sc+2.50+ atom to form distorted SDy3Sc tetrahedra that share corners with three equivalent SDy3Sc tetrahedra, corners with five equivalent SDy2Sc3 trigonal bipyramids, and an edgeedge with one SDy2Sc3 trigonal bipyramid. In the fourth S2- site, S2- is bonded to two equivalent Dy3+ and three equivalent Sc+2.50+ atoms to form distorted SDy2Sc3 trigonal bipyramids that share corners with five equivalent SDy3Sc tetrahedra, an edgeedge with one SDy3Sc tetrahedra, and edges with four equivalent SDy2Sc3 trigonal bipyramids.

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Materials Data on Sc2TlCo by Materials Project

Sc2CoTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CoTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Co and one Tl atom. The Sc–Co bond length is 2.11 Å. The Sc–Tl bond length is 3.01 Å. Co 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 Sc2Ge4Mo3 by Materials Project

Sc2Mo3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.74–2.95 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.61–2.77 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.55–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Mo, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six Mo, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Mo, and one Ge atom.

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Materials Data on Sc2AlIn by Materials Project

Sc2InAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2InAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one In and one Al atom. The Sc–In bond length is 2.87 Å. The Sc–Al bond length is 2.75 Å. In 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 Sc2CuHg by Materials Project

Sc2CuHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CuHg ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Cu and one Hg atom. The Sc–Cu bond length is 2.52 Å. The Sc–Hg bond length is 2.92 Å. Cu is bonded in a linear geometry to two equivalent Sc atoms. Hg is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSc2Tl by Materials Project

LiSc2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2Tl 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 3.22 Å. Sc is bonded in a linear geometry to one Li and one Tl atom. The Sc–Tl bond length is 2.92 Å. Tl is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScPd2Pb by Materials Project

ScPd2Pb 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 Pd and six equivalent Pb atoms. All Sc–Pd bond lengths are 2.90 Å. All Sc–Pb bond lengths are 3.35 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.90 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
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Materials Data on ScInO6 by Materials Project

ScInO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc is bonded to six O atoms to form ScO6 octahedra that share corners with two equivalent ScO6 octahedra and corners with four equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 64–67°. There are four shorter (2.13 Å) and two longer (2.14 Å) Sc–O bond lengths. In is bonded to six O atoms to form InO6 octahedra that share corners with two equivalent InO6 octahedra and corners with four equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 66–71°. There are four shorter (2.23 Å) and two longer (2.24 Å) In–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Sc and one O atom. The O–O bond length is 1.46 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent In and one O atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Sc, one In, and one O atom. The O–O bond length is 1.47 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Sc, one In, and one O atom. The O–O bond length is 1.46 Å.

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Materials Data on LiSc2Hg by Materials Project

LiSc2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2Hg 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 3.06 Å. Sc is bonded in a linear geometry to one Li and one Hg atom. The Sc–Hg bond length is 2.88 Å. Hg is bonded in a linear geometry to two equivalent Sc atoms.

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