The material described by CaCu3Ga2(SbO6)2 crystallizes in the cubic Pn-3 space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with four equivalent Ga(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ga(1) is bonded to six equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Cu(1), one Ga(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_CaGa2Cu3(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.559
_cell_length_b   7.559
_cell_length_c   7.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.862
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.750  0.750  0.750  1.0
  Ga  Ga3  1  0.750  0.250  0.250  1.0
  Ga  Ga4  1  0.250  0.750  0.250  1.0
  Ga  Ga5  1  0.250  0.250  0.750  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.500  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.000  0.500  1.0
  Cu  Cu11  1  0.500  0.500  0.000  1.0
  Sb  Sb12  1  0.750  0.750  0.250  1.0
  Sb  Sb13  1  0.750  0.250  0.750  1.0
  Sb  Sb14  1  0.250  0.750  0.750  1.0
  Sb  Sb15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.196  0.500  0.324  1.0
  O  O17  1  0.196  0.500  0.676  1.0
  O  O18  1  0.324  0.196  0.500  1.0
  O  O19  1  0.324  0.804  0.500  1.0
  O  O20  1  0.500  0.324  0.196  1.0
  O  O21  1  0.500  0.676  0.804  1.0
  O  O22  1  0.500  0.324  0.804  1.0
  O  O23  1  0.500  0.676  0.196  1.0
  O  O24  1  0.676  0.196  0.500  1.0
  O  O25  1  0.676  0.804  0.500  1.0
  O  O26  1  0.696  1.000  0.824  1.0
  O  O27  1  0.696  0.000  0.176  1.0
  O  O28  1  0.804  0.500  0.324  1.0
  O  O29  1  0.804  0.500  0.676  1.0
  O  O30  1  0.824  0.696  1.000  1.0
  O  O31  1  0.824  0.304  0.000  1.0
  O  O32  1  0.000  0.824  0.304  1.0
  O  O33  1  0.000  0.176  0.696  1.0
  O  O34  1  1.000  0.824  0.696  1.0
  O  O35  1  1.000  0.176  0.304  1.0
  O  O36  1  0.176  0.696  0.000  1.0
  O  O37  1  0.176  0.304  1.000  1.0
  O  O38  1  0.304  0.000  0.824  1.0
  O  O39  1  0.304  1.000  0.176  1.0
[/CIF]
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The material described by CaCu3Ga2(SbO6)2 crystallizes in the cubic Pn-3 space group. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with four equivalent Ga(1)O6 octahedra and faces with four equivalent Sb(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ga(1) is bonded to six equivalent O(1) atoms to form GaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. Sb(1) is bonded to six equivalent O(1) atoms to form SbO6 octahedra that share corners with six equivalent Ga(1)O6 octahedra and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Cu(1), one Ga(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_CaGa2Cu3(SbO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.559
_cell_length_b   7.559
_cell_length_c   7.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.862
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.750  0.750  0.750  1.0
  Ga  Ga3  1  0.750  0.250  0.250  1.0
  Ga  Ga4  1  0.250  0.750  0.250  1.0
  Ga  Ga5  1  0.250  0.250  0.750  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.500  0.000  0.000  1.0
  Cu  Cu9  1  0.000  0.500  0.500  1.0
  Cu  Cu10  1  0.500  0.000  0.500  1.0
  Cu  Cu11  1  0.500  0.500  0.000  1.0
  Sb  Sb12  1  0.750  0.750  0.250  1.0
  Sb  Sb13  1  0.750  0.250  0.750  1.0
  Sb  Sb14  1  0.250  0.750  0.750  1.0
  Sb  Sb15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.196  0.500  0.324  1.0
  O  O17  1  0.196  0.500  0.676  1.0
  O  O18  1  0.324  0.196  0.500  1.0
  O  O19  1  0.324  0.804  0.500  1.0
  O  O20  1  0.500  0.324  0.196  1.0
  O  O21  1  0.500  0.676  0.804  1.0
  O  O22  1  0.500  0.324  0.804  1.0
  O  O23  1  0.500  0.676  0.196  1.0
  O  O24  1  0.676  0.196  0.500  1.0
  O  O25  1  0.676  0.804  0.500  1.0
  O  O26  1  0.696  1.000  0.824  1.0
  O  O27  1  0.696  0.000  0.176  1.0
  O  O28  1  0.804  0.500  0.324  1.0
  O  O29  1  0.804  0.500  0.676  1.0
  O  O30  1  0.824  0.696  1.000  1.0
  O  O31  1  0.824  0.304  0.000  1.0
  O  O32  1  0.000  0.824  0.304  1.0
  O  O33  1  0.000  0.176  0.696  1.0
  O  O34  1  1.000  0.824  0.696  1.0
  O  O35  1  1.000  0.176  0.304  1.0
  O  O36  1  0.176  0.696  0.000  1.0
  O  O37  1  0.176  0.304  1.000  1.0
  O  O38  1  0.304  0.000  0.824  1.0
  O  O39  1  0.304  1.000  0.176  1.0
[/CIF]
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