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Sc2AgPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AgPb ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Ag and one Pb atom. The Sc–Ag bond length is 2.83 Å. The Sc–Pb bond length is 2.72 Å. Ag is bonded in a linear geometry to two equivalent Sc atoms. Pb is bonded in a linear geometry to two equivalent Sc atoms.
ScCuZn2 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 six equivalent Cu and eight equivalent Zn atoms. All Sc–Cu bond lengths are 3.13 Å. All Sc–Zn bond lengths are 2.71 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Zn atoms. All Cu–Zn bond lengths are 2.71 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Cu atoms.
ScO5Br3O2 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one ScO5Br3 sheet oriented in the (0, 1, 0) direction. In the ScO5Br3 sheet, Sc is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Sc–O bond distances ranging from 2.03–2.12 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one Br atom. The O–Br bond length is 1.94 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Sc and two equivalent Br atoms. Both O–Br bond lengths are 2.06 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Sc and one Br atom. The O–Br bond length is 1.78 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 120 degrees geometry to two O atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent O atoms.
Sc3As2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are five inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded to five As3- atoms to form ScAs5 square pyramids that share corners with four equivalent ScAs6 octahedra, corners with four equivalent ScAs5 square pyramids, corners with four equivalent ScAs5 trigonal bipyramids, an edgeedge with one ScAs6 octahedra, edges with four equivalent ScAs5 square pyramids, edges with two equivalent ScAs5 trigonal bipyramids, and a faceface with one ScAs6 octahedra. The corner-sharing octahedra tilt angles range from 26–55°. There are a spread of Sc–As bond distances ranging from 2.65–2.87 Å. In the second Sc2+ site, Sc2+ is bonded to five As3- atoms to form distorted ScAs5 trigonal bipyramids that share corners with two equivalent ScAs6 octahedra, corners with four equivalent ScAs5 square pyramids, corners with four equivalent ScAs5 trigonal bipyramids, edges with two equivalent ScAs6 octahedra, edges with two equivalent ScAs5 square pyramids, and edges with four equivalent ScAs5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are a spread of Sc–As bond distances ranging from 2.73–2.82 Å. In the third Sc2+ site, Sc2+ is bonded to six As3- atoms to form ScAs6 octahedra that share corners with eight equivalent ScAs5 square pyramids, corners with four equivalent ScAs5 trigonal bipyramids, edges with two equivalent ScAs6 octahedra, edges with two equivalent ScAs5 square pyramids, edges with four equivalent ScAs5 trigonal bipyramids, and faces with two equivalent ScAs5 square pyramids. There are two shorter (2.77 Å) and four longer (3.04 Å) Sc–As bond lengths. In the fourth Sc2+ site, Sc2+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Sc–As bond lengths are 2.69 Å. In the fifth Sc2+ site, Sc2+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Sc–As bond lengths are 2.92 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to seven Sc2+ atoms to form a mixture of distorted edge, corner, and face-sharing AsSc7 pentagonal bipyramids. In the second As3- site, As3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms.
Sc4Ru7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Ru and six equivalent Ge atoms to form ScGe6Ru6 cuboctahedra that share corners with twelve equivalent ScGe6Ru6 cuboctahedra, faces with six equivalent ScGe6Ru6 cuboctahedra, and faces with two equivalent RuGe6 octahedra. All Sc–Ru bond lengths are 2.89 Å. All Sc–Ge bond lengths are 2.93 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Ge atoms to form RuGe6 octahedra that share faces with eight equivalent ScGe6Ru6 cuboctahedra. All Ru–Ge bond lengths are 2.52 Å. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Ru atoms.
MgSc2Ag crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Ag 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 3.06 Å. Sc is bonded in a linear geometry to one Mg and one Ag atom. The Sc–Ag bond length is 2.73 Å. Ag is bonded in a linear geometry to two equivalent Sc atoms.
Sc2AuTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AuTl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Au and one Tl atom. The Sc–Au bond length is 2.67 Å. The Sc–Tl bond length is 2.92 Å. Au is bonded in a linear geometry to two equivalent Sc atoms. Tl is bonded in a linear geometry to two equivalent Sc atoms.
Sc2CoPt 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 Pt atoms. All Sc–Co bond lengths are 2.80 Å. All Sc–Pt bond lengths are 2.80 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
ScZrFe4 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 four equivalent Zr and twelve equivalent Fe atoms. All Sc–Zr bond lengths are 3.04 Å. All Sc–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Sc, three equivalent Zr, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeZr3Sc3Fe6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Fe–Fe bond lengths.
Sr3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight Sr and four equivalent Sc atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with twelve equivalent SrSr8Sc4 cuboctahedra, edges with eight equivalent ScSr12 cuboctahedra, edges with sixteen SrSr8Sc4 cuboctahedra, faces with four equivalent ScSr12 cuboctahedra, and faces with fourteen SrSr8Sc4 cuboctahedra. There are four shorter (3.93 Å) and four longer (4.01 Å) Sr–Sr bond lengths. All Sr–Sc bond lengths are 4.01 Å. In the second Sr site, Sr is bonded to eight equivalent Sr and four equivalent Sc atoms to form distorted SrSr8Sc4 cuboctahedra that share corners with four equivalent SrSr8Sc4 cuboctahedra, corners with eight equivalent ScSr12 cuboctahedra, edges with twenty-four SrSr8Sc4 cuboctahedra, faces with six equivalent ScSr12 cuboctahedra, and faces with twelve SrSr8Sc4 cuboctahedra. All Sr–Sc bond lengths are 3.93 Å. Sc is bonded to twelve Sr atoms to form ScSr12 cuboctahedra that share corners with four equivalent ScSr12 cuboctahedra, corners with eight equivalent SrSr8Sc4 cuboctahedra, edges with eight equivalent ScSr12 cuboctahedra, edges with sixteen equivalent SrSr8Sc4 cuboctahedra, faces with four equivalent ScSr12 cuboctahedra, and faces with fourteen SrSr8Sc4 cuboctahedra.
MgSc2Ir crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two MgSc2Ir 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 3.17 Å. Sc is bonded in a distorted linear geometry to one Mg and one Ir atom. The Sc–Ir bond length is 2.29 Å. Ir is bonded in a linear geometry to two equivalent Sc atoms.
ScRhTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded to four equivalent Rh and six equivalent Te atoms to form a mixture of distorted face and corner-sharing ScTe6Rh4 tetrahedra. All Sc–Rh bond lengths are 2.74 Å. All Sc–Te bond lengths are 3.16 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Te atoms. All Rh–Te bond lengths are 2.74 Å. Te is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Rh atoms.
ScCdTl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Tl atoms. All Sc–Cd bond lengths are 2.98 Å. All Sc–Tl bond lengths are 2.98 Å. Cd is bonded to four equivalent Sc atoms to form distorted CdSc4 tetrahedra that share corners with four equivalent TlSc4 tetrahedra, corners with twelve equivalent CdSc4 tetrahedra, and edges with six equivalent TlSc4 tetrahedra. Tl is bonded to four equivalent Sc atoms to form distorted TlSc4 tetrahedra that share corners with four equivalent CdSc4 tetrahedra, corners with twelve equivalent TlSc4 tetrahedra, and edges with six equivalent CdSc4 tetrahedra.
BeSc2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeSc2Os ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Sc atoms. Both Be–Sc bond lengths are 2.80 Å. Sc is bonded in a linear geometry to one Be and one Os atom. The Sc–Os bond length is 2.24 Å. Os is bonded in a linear geometry to two equivalent Sc atoms.
YScFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.
Tb3Sc2S7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to seven S2- atoms to form distorted TbS7 pentagonal bipyramids that share corners with two equivalent TbS6 octahedra, corners with six equivalent ScS6 octahedra, an edgeedge with one ScS6 octahedra, edges with three equivalent TbS6 octahedra, edges with two equivalent TbS7 pentagonal bipyramids, and faces with two equivalent TbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 23–72°. There are a spread of Tb–S bond distances ranging from 2.74–3.04 Å. In the second Tb3+ site, Tb3+ is bonded to six S2- atoms to form TbS6 octahedra that share corners with two equivalent ScS6 octahedra, corners with four equivalent TbS7 pentagonal bipyramids, edges with two equivalent TbS6 octahedra, and edges with six equivalent TbS7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.69 Å) and four longer (2.72 Å) Tb–S bond lengths. Sc+2.50+ is bonded to six S2- atoms to form ScS6 octahedra that share a cornercorner with one TbS6 octahedra, corners with two equivalent ScS6 octahedra, corners with six equivalent TbS7 pentagonal bipyramids, edges with five equivalent ScS6 octahedra, and an edgeedge with one TbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–51°. There are a spread of Sc–S bond distances ranging from 2.55–2.68 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Tb3+ and three equivalent Sc+2.50+ atoms to form distorted STb2Sc3 trigonal bipyramids that share corners with five equivalent STb3Sc tetrahedra, corners with four equivalent STb5 trigonal bipyramids, an edgeedge with one STb3Sc tetrahedra, and edges with five STb2Sc3 trigonal bipyramids. In the second S2- site, S2- is bonded to five Tb3+ atoms to form distorted STb5 trigonal bipyramids that share corners with four equivalent STb3Sc tetrahedra, corners with six STb2Sc3 trigonal bipyramids, edges with three equivalent STb3Sc tetrahedra, and edges with six STb2Sc3 trigonal bipyramids. In the third S2- site, S2- is bonded to three Tb3+ and one Sc+2.50+ atom to form distorted STb3Sc tetrahedra that share corners with three equivalent STb3Sc tetrahedra, corners with nine STb2Sc3 trigonal bipyramids, and edges with four STb2Sc3 trigonal bipyramids. In the fourth S2- site, S2- is bonded in a square co-planar geometry to four equivalent Sc+2.50+ atoms.
Sc2RhCo 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 Co atoms. All Sc–Rh bond lengths are 2.76 Å. All Sc–Co bond lengths are 2.76 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
ScCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 9-coordinate geometry to four equivalent Co and five equivalent Ge atoms. There are a spread of Sc–Co bond distances ranging from 2.73–2.87 Å. There are a spread of Sc–Ge bond distances ranging from 2.81–2.88 Å. Co is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.39–2.47 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Co atoms.