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Sc2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent C atoms. All Sc–Ga bond lengths are 3.09 Å. All Sc–C bond lengths are 2.28 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Sc atoms. C is bonded to six equivalent Sc atoms to form edge-sharing CSc6 octahedra.
Sc3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent B atoms. All Sc–In bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.34 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Sc2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Sc–In bond lengths are 3.26 Å. All Sc–C bond lengths are 2.29 Å. In is bonded to six equivalent Sc and six equivalent In atoms to form distorted InSc6In6 cuboctahedra that share corners with six equivalent InSc6In6 cuboctahedra, corners with six equivalent CSc6 octahedra, edges with six equivalent InSc6In6 cuboctahedra, edges with six equivalent CSc6 octahedra, and faces with six equivalent InSc6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All In–In bond lengths are 3.35 Å. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent InSc6In6 cuboctahedra, edges with six equivalent InSc6In6 cuboctahedra, and edges with six equivalent CSc6 octahedra.
ScRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.89–3.12 Å. There are two shorter (2.83 Å) and three longer (2.86 Å) Sc–Si bond lengths. Rh is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Si atoms. There are three shorter (2.45 Å) and one longer (2.49 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Rh atoms.
ScCu2In 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 eight equivalent Cu and six equivalent In atoms. All Sc–Cu bond lengths are 2.78 Å. All Sc–In bond lengths are 3.21 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Cu–In bond lengths are 2.78 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Cu atoms.
ScNi2In 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 eight equivalent Ni and six equivalent In atoms. All Sc–Ni bond lengths are 2.72 Å. All Sc–In bond lengths are 3.14 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Ni–In bond lengths are 2.72 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Ni atoms.
Sc2V3Ge4 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 2.69–2.88 Å. There are two inequivalent V sites. In the first V site, V is bonded to six Ge atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of V–Ge bond distances ranging from 2.57–2.69 Å. In the second V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.49–2.64 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 V, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six V, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.66 Å.
ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sc–Sn bond distances ranging from 3.06–3.34 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.03 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Sn atoms.
Sc2NCl2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Sc2NCl2 sheet oriented in the (0, 0, 1) direction. Sc+2.50+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of edge and corner-sharing ScN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–N bond lengths are 2.28 Å. All Sc–Cl bond lengths are 2.58 Å. N3- is bonded to six equivalent Sc+2.50+ atoms to form edge-sharing NSc6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Sc+2.50+ atoms.
ScAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted face and corner-sharing ScSn6Au4 tetrahedra. All Sc–Au bond lengths are 2.82 Å. All Sc–Sn bond lengths are 3.26 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Au–Sn bond lengths are 2.82 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Au atoms.
ScAg2In 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 eight equivalent Ag and six equivalent In atoms. All Sc–Ag bond lengths are 2.95 Å. All Sc–In bond lengths are 3.41 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Ag–In bond lengths are 2.95 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Ag atoms.
ScNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Sc–Ni bond lengths are 2.71 Å. All Sc–Bi bond lengths are 3.13 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.71 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Ni atoms.
Sc3InN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Sc–In bond lengths are 3.16 Å. Both Sc–N bond lengths are 2.24 Å. In is bonded to twelve equivalent Sc atoms to form InSc12 cuboctahedra that share corners with twelve equivalent InSc12 cuboctahedra, faces with six equivalent InSc12 cuboctahedra, and faces with eight equivalent NSc6 octahedra. N is bonded to six equivalent Sc atoms to form NSc6 octahedra that share corners with six equivalent NSc6 octahedra and faces with eight equivalent InSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Sc2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Sc–Ni bond lengths. All Sc–Sn bond lengths are 3.14 Å. Ni is bonded in a 6-coordinate geometry to six equivalent Sc, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.50 Å. Both Ni–Sn bond lengths are 2.83 Å. Sn is bonded to eight equivalent Sc and four equivalent Ni atoms to form a mixture of distorted corner and face-sharing SnSc8Ni4 cuboctahedra.
Co2ScSn 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 Sn atoms. All Sc–Co bond lengths are 2.69 Å. All Sc–Sn bond lengths are 3.11 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Co–Sn bond lengths are 2.69 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Co atoms.
AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sc–Al bond lengths are 3.19 Å. Both Sc–C bond lengths are 2.26 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent AlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
Sc3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sc–Tl bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
ScNi2Sn 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 Ni and six equivalent Sn atoms. All Sc–Ni bond lengths are 2.71 Å. All Sc–Sn bond lengths are 3.13 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.71 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Ni atoms.