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ScCu2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a distorted q6 geometry to ten equivalent Cu atoms. All Sc–Cu bond lengths are 2.75 Å. Cu is bonded in a 10-coordinate geometry to five equivalent Sc atoms.
ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DyScSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are four shorter (3.15 Å) and one longer (3.16 Å) Dy–Sb bond lengths. Sc is bonded in a 12-coordinate geometry to four equivalent Sb atoms. All Sc–Sb bond lengths are 3.07 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Sc atoms.
PrScSi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five equivalent Si atoms. There are four shorter (3.18 Å) and one longer (3.26 Å) Pr–Si bond lengths. Sc is bonded in a distorted square co-planar geometry to four equivalent Si atoms. All Sc–Si bond lengths are 2.89 Å. Si is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Sc atoms.
ScPdHg2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScPdHg2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Hg atoms. Both Sc–Hg bond lengths are 2.96 Å. Pd is bonded in a linear geometry to two equivalent Hg atoms. Both Pd–Hg bond lengths are 2.63 Å. Hg is bonded in a linear geometry to one Sc and one Pd atom.
NdScSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are four shorter (3.26 Å) and one longer (3.27 Å) Nd–Sb bond lengths. Sc is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Sc–Sb bond lengths are 3.05 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Nd and four equivalent Sc atoms.
ScAu2Hg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Hg ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.58 Å. Au is bonded in a linear geometry to one Sc and one Hg atom. The Au–Hg bond length is 2.93 Å. Hg is bonded in a linear geometry to two equivalent Au atoms.
ScZrCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScZrCd2 ribbons oriented in the (0, 1, 0) direction. Sc is bonded in a linear geometry to two equivalent Cd atoms. Both Sc–Cd bond lengths are 3.08 Å. Zr is bonded in a linear geometry to two equivalent Cd atoms. Both Zr–Cd bond lengths are 3.05 Å. Cd is bonded in a linear geometry to one Sc and one Zr atom.
MgScIr2 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 Ir atoms. All Mg–Ir bond lengths are 2.75 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.75 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sc atoms.
Sc3As2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Sc–As bond distances ranging from 2.76–3.20 Å. In the second Sc2+ site, Sc2+ is bonded to five As3- atoms to form a mixture of face, edge, and corner-sharing ScAs5 square pyramids. There are a spread of Sc–As bond distances ranging from 2.69–2.81 Å. In the third Sc2+ site, Sc2+ is bonded to five As3- atoms to form a mixture of face, edge, and corner-sharing ScAs5 square pyramids. There are a spread of Sc–As bond distances ranging from 2.70–2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to eight Sc2+ atoms. In the second As3- site, As3- is bonded to seven Sc2+ atoms to form distorted edge-sharing AsSc7 pentagonal bipyramids.
ScAu2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Sn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.57 Å. Au is bonded in a linear geometry to one Sc and one Sn atom. The Au–Sn bond length is 2.70 Å. Sn is bonded in a linear geometry to two equivalent Au atoms.
Li4Sc3In(SiO3)8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are three shorter (2.09 Å) and one longer (2.10 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. All Li–O bond lengths are 2.09 Å. In the third Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.10 Å. In the fourth Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.05–2.09 Å. There are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SiO4 tetrahedra and edges with two ScO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.02–2.28 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SiO4 tetrahedra, an edgeedge with one ScO6 octahedra, and an edgeedge with one InO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.02–2.28 Å. In the third Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six SiO4 tetrahedra, an edgeedge with one ScO6 octahedra, and an edgeedge with one InO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.02–2.27 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six SiO4 tetrahedra and edges with two ScO6 octahedra. There are a spread of In–O bond distances ranging from 2.10–2.29 Å. There are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one ScO6 octahedra, corners with two equivalent InO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three ScO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one InO6 octahedra, corners with two ScO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–60°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one InO6 octahedra, corners with two ScO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–61°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three ScO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the sixth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one InO6 octahedra, corners with two equivalent ScO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–59°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the seventh Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three ScO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the eighth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one InO6 octahedra, corners with two ScO6 octahedra, and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–59°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom. In the tenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one In3+, and one Si4+ atom. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Sc3+, and one Si4+ atom. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one Si4+ atom. In the fifteenth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one Si4+ atom. In the sixteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Sc3+, and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sc3+, one In3+, and one Si4+ atom. In the eighteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two Sc3+, and one Si4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two Sc3+, and one Si4+ atom. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sc3+, one In3+, and one Si4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two Sc3+, and one Si4+ atom. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sc3+, one In3+, and one Si4+ atom. In the twenty-third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two Sc3+, and one Si4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, one Sc3+, one In3+, and one Si4+ atom.
ErScZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Er–Zn bond lengths are 2.99 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sc–Zn bond lengths are 2.99 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sc atoms.
LiScRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiScRh2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Rh atoms. Both Li–Rh bond lengths are 2.55 Å. Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.19 Å. Rh is bonded in a linear geometry to one Li and one Sc atom.
Ba2ScAlO5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.60–3.10 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.65–3.30 Å. In the third Ba2+ site, Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.87–3.05 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.03 Å. In the fifth Ba2+ site, Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.68–3.03 Å. In the sixth Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.91–3.04 Å. There are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with three equivalent ScO4 tetrahedra and corners with three equivalent AlO5 trigonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.06–2.24 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form distorted ScO6 octahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent AlO5 trigonal bipyramids. There are a spread of Sc–O bond distances ranging from 1.99–2.72 Å. In the third Sc3+ site, Sc3+ is bonded to four O2- atoms to form ScO4 tetrahedra that share corners with three equivalent ScO6 octahedra and a cornercorner with one AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 10–30°. There are a spread of Sc–O bond distances ranging from 1.91–2.02 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share corners with three equivalent ScO6 octahedra and an edgeedge with one AlO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. There are a spread of Al–O bond distances ranging from 1.80–1.93 Å. In the second Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 trigonal bipyramids that share corners with three equivalent ScO6 octahedra and an edgeedge with one AlO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 1–8°. There are a spread of Al–O bond distances ranging from 1.80–1.93 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent ScO6 octahedra and a cornercorner with one ScO4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–44°. There is two shorter (1.77 Å) and two longer (1.78 Å) Al–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two Sc3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Ba2+ and two Sc3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Sc3+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Sc3+, and one Al3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Sc3+, and one Al3+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Sc3+, and one Al3+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Sc3+, and one Al3+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Ba2+, one Sc3+, and one Al3+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one Sc3+, and one Al3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and two Al3+ atoms.
NaScIn2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaScIn2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent In atoms. Both Na–In bond lengths are 3.11 Å. Sc is bonded in a linear geometry to two equivalent In atoms. Both Sc–In bond lengths are 2.92 Å. In is bonded in a linear geometry to one Na and one Sc atom.
ScTiRh2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScTiRh2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Rh atoms. Both Sc–Rh bond lengths are 2.37 Å. Ti is bonded in a linear geometry to two equivalent Rh atoms. Both Ti–Rh bond lengths are 2.16 Å. Rh is bonded in a linear geometry to one Sc and one Ti atom.
ScAu2Ag crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Ag ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.55 Å. Au is bonded in a linear geometry to one Sc and one Ag atom. The Au–Ag bond length is 2.70 Å. Ag is bonded in a linear geometry to two equivalent Au atoms.