The structure described by ScIn2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent In(2), two equivalent In(3), and six equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to six equivalent Sc(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InSc6In6 cuboctahedra that share corners with four equivalent In(2)Sc4In4 cuboctahedra, corners with eight equivalent In(3)Sc4In4 cuboctahedra, corners with eight equivalent In(1)Sc6In6 cuboctahedra, edges with two equivalent In(3)Sc4In4 cuboctahedra, edges with four equivalent In(1)Sc6In6 cuboctahedra, edges with six equivalent In(2)Sc4In4 cuboctahedra,  a faceface with one In(3)Sc4In4 cuboctahedra, and faces with seven equivalent In(1)Sc6In6 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Sc(1) and four equivalent In(1) atoms to form distorted InSc4In4 cuboctahedra that share corners with eight equivalent In(1)Sc6In6 cuboctahedra, edges with four equivalent In(2)Sc4In4 cuboctahedra, edges with twelve equivalent In(1)Sc6In6 cuboctahedra, and faces with four equivalent In(3)Sc4In4 cuboctahedra. In the third In site, In(3) is bonded to four equivalent Sc(1) and four equivalent In(1) atoms to form distorted InSc4In4 cuboctahedra that share corners with sixteen equivalent In(1)Sc6In6 cuboctahedra, edges with four equivalent In(3)Sc4In4 cuboctahedra, edges with four equivalent In(1)Sc6In6 cuboctahedra, faces with two equivalent In(1)Sc6In6 cuboctahedra, and faces with four equivalent In(2)Sc4In4 cuboctahedra. is represented by the CIF card [CIF]
data_ScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.459
_cell_length_c   7.185
_cell_angle_alpha   90.000
_cell_angle_beta   108.116
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.048
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.844  0.500  0.687  1.0
  Sc  Sc1  1  0.156  0.500  0.313  1.0
  In  In2  1  0.676  0.000  0.352  1.0
  In  In3  1  0.324  0.000  0.648  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by ScIn2 crystallizes in the orthorhombic Cmmm space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent In(2), two equivalent In(3), and six equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to six equivalent Sc(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InSc6In6 cuboctahedra that share corners with four equivalent In(2)Sc4In4 cuboctahedra, corners with eight equivalent In(3)Sc4In4 cuboctahedra, corners with eight equivalent In(1)Sc6In6 cuboctahedra, edges with two equivalent In(3)Sc4In4 cuboctahedra, edges with four equivalent In(1)Sc6In6 cuboctahedra, edges with six equivalent In(2)Sc4In4 cuboctahedra,  a faceface with one In(3)Sc4In4 cuboctahedra, and faces with seven equivalent In(1)Sc6In6 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Sc(1) and four equivalent In(1) atoms to form distorted InSc4In4 cuboctahedra that share corners with eight equivalent In(1)Sc6In6 cuboctahedra, edges with four equivalent In(2)Sc4In4 cuboctahedra, edges with twelve equivalent In(1)Sc6In6 cuboctahedra, and faces with four equivalent In(3)Sc4In4 cuboctahedra. In the third In site, In(3) is bonded to four equivalent Sc(1) and four equivalent In(1) atoms to form distorted InSc4In4 cuboctahedra that share corners with sixteen equivalent In(1)Sc6In6 cuboctahedra, edges with four equivalent In(3)Sc4In4 cuboctahedra, edges with four equivalent In(1)Sc6In6 cuboctahedra, faces with two equivalent In(1)Sc6In6 cuboctahedra, and faces with four equivalent In(2)Sc4In4 cuboctahedra. is represented by the CIF card [CIF]
data_ScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.468
_cell_length_b   4.459
_cell_length_c   7.185
_cell_angle_alpha   90.000
_cell_angle_beta   108.116
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.048
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.844  0.500  0.687  1.0
  Sc  Sc1  1  0.156  0.500  0.313  1.0
  In  In2  1  0.676  0.000  0.352  1.0
  In  In3  1  0.324  0.000  0.648  1.0
  In  In4  1  0.500  0.500  0.000  1.0
  In  In5  1  0.000  0.000  0.000  1.0
[/CIF]
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