The material structure described by MgGa4(CuO4)2 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Ga(1) and four equivalent O(2) atoms to form MgGa4O4 tetrahedra that share corners with four equivalent Cu(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded to four equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Mg(1)Ga4O4 tetrahedra. Ga(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cu(1) and three equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_MgGa4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.483
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   120.201
_cell_angle_beta   90.314
_cell_angle_gamma   59.829
_symmetry_Int_Tables_number   1
_cell_volume   192.149
_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
  Mg  Mg0  1  0.250  0.500  0.250  1.0
  Ga  Ga1  1  0.822  0.784  0.393  1.0
  Ga  Ga2  1  0.394  0.784  0.391  1.0
  Ga  Ga3  1  0.393  0.215  0.822  1.0
  Ga  Ga4  1  0.391  0.216  0.394  1.0
  Cu  Cu5  1  0.750  0.501  0.750  1.0
  Cu  Cu6  1  0.000  1.000  1.000  1.0
  O  O7  1  0.609  0.783  0.608  1.0
  O  O8  1  0.608  0.783  0.175  1.0
  O  O9  1  0.133  0.734  0.601  1.0
  O  O10  1  0.133  0.733  0.133  1.0
  O  O11  1  0.133  0.266  0.133  1.0
  O  O12  1  0.601  0.266  0.133  1.0
  O  O13  1  0.608  0.217  0.609  1.0
  O  O14  1  0.176  0.217  0.608  1.0
[/CIF]
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The material structure described by MgGa4(CuO4)2 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Ga(1) and four equivalent O(2) atoms to form MgGa4O4 tetrahedra that share corners with four equivalent Cu(2)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded to four equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Mg(1)Ga4O4 tetrahedra. Ga(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cu(1) and three equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), and three equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_MgGa4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.483
_cell_length_b   6.484
_cell_length_c   6.484
_cell_angle_alpha   120.201
_cell_angle_beta   90.314
_cell_angle_gamma   59.829
_symmetry_Int_Tables_number   1
_cell_volume   192.149
_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
  Mg  Mg0  1  0.250  0.500  0.250  1.0
  Ga  Ga1  1  0.822  0.784  0.393  1.0
  Ga  Ga2  1  0.394  0.784  0.391  1.0
  Ga  Ga3  1  0.393  0.215  0.822  1.0
  Ga  Ga4  1  0.391  0.216  0.394  1.0
  Cu  Cu5  1  0.750  0.501  0.750  1.0
  Cu  Cu6  1  0.000  1.000  1.000  1.0
  O  O7  1  0.609  0.783  0.608  1.0
  O  O8  1  0.608  0.783  0.175  1.0
  O  O9  1  0.133  0.734  0.601  1.0
  O  O10  1  0.133  0.733  0.133  1.0
  O  O11  1  0.133  0.266  0.133  1.0
  O  O12  1  0.601  0.266  0.133  1.0
  O  O13  1  0.608  0.217  0.609  1.0
  O  O14  1  0.176  0.217  0.608  1.0
[/CIF]
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