The structure described by CaGa4 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Ga(1) and eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ca(1) and four equivalent Ga(2) atoms to form a mixture of distorted edge, face, and corner-sharing GaCa4Ga4 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Ga(2), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaGa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   4.328
_cell_length_c   6.132
_cell_angle_alpha   110.664
_cell_angle_beta   110.664
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.519
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.385  0.385  0.769  1.0
  Ga  Ga4  1  0.615  0.615  0.231  1.0
[/CIF]
.
The structure described by CaGa4 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 16-coordinate geometry to eight equivalent Ga(1) and eight equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ca(1) and four equivalent Ga(2) atoms to form a mixture of distorted edge, face, and corner-sharing GaCa4Ga4 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Ga(2), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaGa4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.328
_cell_length_b   4.328
_cell_length_c   6.132
_cell_angle_alpha   110.664
_cell_angle_beta   110.664
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.519
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Ga  Ga3  1  0.385  0.385  0.769  1.0
  Ga  Ga4  1  0.615  0.615  0.231  1.0
[/CIF]
.