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At least 937 records · Page 52

Materials Data on Sc2TlHg by Materials Project

Sc2HgTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2HgTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Hg and one Tl atom. The Sc–Hg bond length is 2.93 Å. The Sc–Tl bond length is 2.92 Å. Hg 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 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.

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Materials Data on Sc2GePd by Materials Project

Sc2PdGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PdGe ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pd and one Ge atom. The Sc–Pd bond length is 2.51 Å. The Sc–Ge bond length is 2.49 Å. Pd is bonded in a linear geometry to two equivalent Sc atoms. Ge is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2ZnHg by Materials Project

Sc2HgZn 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 Zn atoms. All Sc–Hg bond lengths are 2.99 Å. All Sc–Zn bond lengths are 2.99 Å. Hg 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 Hf3ScGa12 by Materials Project

ScHf3Ga12 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4mm 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, corners with four equivalent HfGa12 cuboctahedra, edges with four equivalent HfGa12 cuboctahedra, edges with sixteen GaHf2Sc2Ga8 cuboctahedra, a faceface with one HfGa12 cuboctahedra, faces with four equivalent ScGa12 cuboctahedra, and faces with eight GaHf2Sc2Ga8 cuboctahedra. There are a spread of Sc–Ga bond distances ranging from 2.81–3.05 Å. There are three inequivalent Hf sites. In the first Hf site, Hf is bonded to twelve Ga atoms to form HfGa12 cuboctahedra that share corners with eight HfGa12 cuboctahedra, edges with four equivalent HfGa12 cuboctahedra, edges with sixteen GaHf4Ga8 cuboctahedra, faces with five HfGa12 cuboctahedra, and faces with eight GaHf4Ga8 cuboctahedra. There are a spread of Hf–Ga bond distances ranging from 2.81–3.05 Å. In the second Hf site, Hf is bonded to twelve Ga atoms to form HfGa12 cuboctahedra that share corners with eight HfGa12 cuboctahedra, edges with four equivalent ScGa12 cuboctahedra, edges with sixteen GaHf2Sc2Ga8 cuboctahedra, faces with five HfGa12 cuboctahedra, and faces with eight GaHf4Ga8 cuboctahedra. There are a spread of Hf–Ga bond distances ranging from 2.82–3.06 Å. In the third Hf site, Hf is bonded to twelve Ga atoms to form HfGa12 cuboctahedra that share corners with four equivalent ScGa12 cuboctahedra, corners with four equivalent HfGa12 cuboctahedra, edges with four equivalent HfGa12 cuboctahedra, edges with sixteen GaHf4Ga8 cuboctahedra, a faceface with one ScGa12 cuboctahedra, faces with four equivalent HfGa12 cuboctahedra, and faces with eight GaHf2Sc2Ga8 cuboctahedra. There are a spread of Hf–Ga bond distances ranging from 2.81–3.03 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded to four Hf and eight Ga atoms to form distorted GaHf4Ga8 cuboctahedra that share corners with twelve GaHf4Ga8 cuboctahedra, edges with eight HfGa12 cuboctahedra, edges with eight GaHf2Sc2Ga8 cuboctahedra, faces with four HfGa12 cuboctahedra, and faces with ten GaHf4Ga8 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.81–2.99 Å. In the second Ga site, Ga is bonded to two equivalent Sc, two equivalent Hf, and eight Ga atoms to form distorted GaHf2Sc2Ga8 cuboctahedra that share corners with twelve GaHf4Ga8 cuboctahedra, edges with four equivalent ScGa12 cuboctahedra, edges with four equivalent HfGa12 cuboctahedra, edges with eight GaHf2Sc2Ga8 cuboctahedra, faces with two equivalent ScGa12 cuboctahedra, faces with two equivalent HfGa12 cuboctahedra, and faces with ten GaHf2Sc2Ga8 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.81–2.95 Å. In the third Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf and eight Ga atoms. All Ga–Ga bond lengths are 2.94 Å. In the fourth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the fifth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sc and eight Ga atoms. All Ga–Ga bond lengths are 2.98 Å. In the sixth Ga site, Ga is bonded in a distorted rectangular see-saw-like geometry to four equivalent Hf and eight Ga atoms. All Ga–Ga bond lengths are 2.97 Å. In the seventh Ga site, Ga is bonded to two equivalent Sc, two equivalent Hf, and eight Ga atoms to form GaHf2Sc2Ga8 cuboctahedra that share corners with twelve GaHf2Sc2Ga8 cuboctahedra, edges with four equivalent ScGa12 cuboctahedra, edges with four equivalent HfGa12 cuboctahedra, edges with eight GaHf4Ga8 cuboctahedra, faces with two equivalent ScGa12 cuboctahedra, faces with two equivalent HfGa12 cuboctahedra, and faces with ten GaHf4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.81 Å. In the eighth Ga site, Ga is bonded to four Hf and eight Ga atoms to form distorted GaHf4Ga8 cuboctahedra that share corners with twelve GaHf2Sc2Ga8 cuboctahedra, edges with eight HfGa12 cuboctahedra, edges with eight GaHf4Ga8 cuboctahedra, faces with four HfGa12 cuboctahedra, and faces with ten GaHf4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.81 Å.

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Materials Data on Pu3Sc by Materials Project

Pu3Sc is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Sc atoms to form PuPu8Sc4 cuboctahedra that share corners with twelve equivalent PuPu8Sc4 cuboctahedra, edges with eight equivalent ScPu12 cuboctahedra, edges with sixteen PuPu8Sc4 cuboctahedra, faces with four equivalent ScPu12 cuboctahedra, and faces with fourteen PuPu8Sc4 cuboctahedra. There are four shorter (3.17 Å) and four longer (3.24 Å) Pu–Pu bond lengths. All Pu–Sc bond lengths are 3.17 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Sc atoms to form PuPu8Sc4 cuboctahedra that share corners with four equivalent PuPu8Sc4 cuboctahedra, corners with eight equivalent ScPu12 cuboctahedra, edges with twenty-four PuPu8Sc4 cuboctahedra, faces with six equivalent ScPu12 cuboctahedra, and faces with twelve PuPu8Sc4 cuboctahedra. All Pu–Sc bond lengths are 3.24 Å. Sc is bonded to twelve Pu atoms to form ScPu12 cuboctahedra that share corners with four equivalent ScPu12 cuboctahedra, corners with eight equivalent PuPu8Sc4 cuboctahedra, edges with eight equivalent ScPu12 cuboctahedra, edges with sixteen equivalent PuPu8Sc4 cuboctahedra, faces with four equivalent ScPu12 cuboctahedra, and faces with fourteen PuPu8Sc4 cuboctahedra.

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Materials Data on Sc2CdHg by Materials Project

Sc2HgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2HgCd ribbons oriented in the (0, 1, 0) direction. Sc is bonded in a linear geometry to one Hg and one Cd atom. The Sc–Hg bond length is 2.87 Å. The Sc–Cd bond length is 3.02 Å. Hg 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 Sc2ZnHg by Materials Project

Sc2HgZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2HgZn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Hg and one Zn atom. The Sc–Hg bond length is 2.89 Å. The Sc–Zn bond length is 2.84 Å. Hg 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 MgSc2Ru by Materials Project

MgSc2Ru crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Sc atoms to form a mixture of face and corner-sharing MgMg4Sc8 cuboctahedra. All Mg–Mg bond lengths are 3.27 Å. All Mg–Sc bond lengths are 3.26 Å. Sc is bonded in a 4-coordinate geometry to four equivalent Mg and four equivalent Ru atoms. All Sc–Ru bond lengths are 2.77 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2CoNi by Materials Project

Sc2CoNi 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 Co and four equivalent Ni atoms. All Sc–Co bond lengths are 2.71 Å. All Sc–Ni bond lengths are 2.71 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

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Materials Data on Sc2CoRh by Materials Project

Sc2RhCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2RhCo ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Rh and one Co atom. The Sc–Rh bond length is 2.31 Å. The Sc–Co bond length is 2.19 Å. Rh is bonded in a linear geometry to two equivalent Sc atoms. Co is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on Sc2TlNi by Materials Project

Sc2NiTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2NiTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ni and one Tl atom. The Sc–Ni bond length is 2.22 Å. The Sc–Tl bond length is 2.93 Å. Ni 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 Sc2TcRu by Materials Project

Sc2TcRu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2TcRu ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Tc and one Ru atom. The Sc–Tc bond length is 2.35 Å. The Sc–Ru bond length is 2.19 Å. Tc is bonded in a linear geometry to two equivalent Sc atoms. Ru is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on ScNi4Au by Materials Project

ScNi4Au is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve equivalent Ni and four equivalent Au atoms. All Sc–Ni bond lengths are 2.83 Å. All Sc–Au bond lengths are 2.95 Å. Ni is bonded to three equivalent Sc, six equivalent Ni, and three equivalent Au atoms to form a mixture of edge, face, and corner-sharing NiSc3Ni6Au3 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.42 Å) Ni–Ni bond lengths. All Ni–Au bond lengths are 2.83 Å. Au is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Ni atoms.

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Materials Data on Sc2TlCu by Materials Project

Sc2CuTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2CuTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Cu and one Tl atom. The Sc–Cu bond length is 2.54 Å. The Sc–Tl bond length is 2.92 Å. Cu 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 Sc2AlPt by Materials Project

Sc2PtAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2PtAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Pt and one Al atom. The Sc–Pt bond length is 2.40 Å. The Sc–Al bond length is 2.80 Å. Pt 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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Materials Data on LiSc2Ga by Materials Project

LiSc2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSc2Ga ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Sc atoms. Both Li–Sc bond lengths are 3.26 Å. Sc is bonded in a linear geometry to one Li and one Ga atom. The Sc–Ga bond length is 2.59 Å. Ga is bonded in a linear geometry to two equivalent Sc atoms.

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Materials Data on ScSe3(NO4)3 by Materials Project

(Sc(SeO4)3)2(N2)3 crystallizes in the trigonal R3 space group. The structure is one-dimensional and consists of eighteen ammonia molecules and three Sc(SeO4)3 ribbons oriented in the (0, 0, 1) direction. In each Sc(SeO4)3 ribbon, there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SeO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Sc–O bond lengths. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SeO4 tetrahedra. All Sc–O bond lengths are 2.10 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with two ScO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Se–O bond distances ranging from 1.66–1.69 Å. In the second Se2+ site, Se2+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with two ScO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There is one shorter (1.67 Å) and three longer (1.68 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se2+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Se2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Se2+ atom.

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