The material structure described by ScGa2 crystallizes in the monoclinic P2/m space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent Ga(2), two equivalent Ga(3), and six equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Sc(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing GaSc6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_ScGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   4.115
_cell_length_c   6.648
_cell_angle_alpha   90.000
_cell_angle_beta   108.062
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.232
_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  0.347  0.000  0.694  1.0
  Sc  Sc1  1  0.653  0.000  0.306  1.0
  Ga  Ga2  1  0.823  0.500  0.646  1.0
  Ga  Ga3  1  0.177  0.500  0.354  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by ScGa2 crystallizes in the monoclinic P2/m space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent Ga(2), two equivalent Ga(3), and six equivalent Ga(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent Sc(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form a mixture of distorted edge, face, and corner-sharing GaSc6Ga6 cuboctahedra. In the second Ga site, Ga(2) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent Ga(1) atoms. In the third Ga site, Ga(3) is bonded in a distorted square co-planar geometry to four equivalent Sc(1) and four equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_ScGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.085
_cell_length_b   4.115
_cell_length_c   6.648
_cell_angle_alpha   90.000
_cell_angle_beta   108.062
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.232
_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  0.347  0.000  0.694  1.0
  Sc  Sc1  1  0.653  0.000  0.306  1.0
  Ga  Ga2  1  0.823  0.500  0.646  1.0
  Ga  Ga3  1  0.177  0.500  0.354  1.0
  Ga  Ga4  1  0.500  0.500  0.000  1.0
  Ga  Ga5  1  0.000  0.000  0.000  1.0
[/CIF]
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