The structure described by MgGa4(CuO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Ga site, Ga(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(3) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Cu(1), and one Ga(2) atom to form distorted edge-sharing OMgGaCu2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Cu(1), one Ga(1), and one Ga(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ga(1), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_MgGa4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   5.915
_cell_angle_alpha   63.518
_cell_angle_beta   63.519
_cell_angle_gamma   52.152
_symmetry_Int_Tables_number   1
_cell_volume   178.595
_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  0.038  0.038  0.462  1.0
  Ga  Ga1  1  1.000  1.000  0.000  1.0
  Ga  Ga2  1  0.286  0.286  0.215  1.0
  Ga  Ga3  1  0.065  0.549  0.693  1.0
  Ga  Ga4  1  0.549  0.065  0.693  1.0
  Cu  Cu5  1  0.627  0.627  0.142  1.0
  Cu  Cu6  1  0.627  0.627  0.605  1.0
  O  O7  1  0.361  0.361  0.427  1.0
  O  O8  1  0.409  0.919  0.336  1.0
  O  O9  1  0.361  0.361  0.852  1.0
  O  O10  1  0.919  0.409  0.336  1.0
  O  O11  1  0.374  0.865  0.880  1.0
  O  O12  1  0.895  0.895  0.386  1.0
  O  O13  1  0.865  0.374  0.880  1.0
  O  O14  1  0.895  0.895  0.824  1.0
[/CIF]
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The structure described by MgGa4(CuO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Ga site, Ga(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Ga site, Ga(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(3) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Cu(1), and one Ga(2) atom to form distorted edge-sharing OMgGaCu2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Cu(1), one Ga(1), and one Ga(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ga(1), and two equivalent Ga(3) atoms. is represented by the CIF card [CIF]
data_MgGa4(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   5.915
_cell_angle_alpha   63.518
_cell_angle_beta   63.519
_cell_angle_gamma   52.152
_symmetry_Int_Tables_number   1
_cell_volume   178.595
_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  0.038  0.038  0.462  1.0
  Ga  Ga1  1  1.000  1.000  0.000  1.0
  Ga  Ga2  1  0.286  0.286  0.215  1.0
  Ga  Ga3  1  0.065  0.549  0.693  1.0
  Ga  Ga4  1  0.549  0.065  0.693  1.0
  Cu  Cu5  1  0.627  0.627  0.142  1.0
  Cu  Cu6  1  0.627  0.627  0.605  1.0
  O  O7  1  0.361  0.361  0.427  1.0
  O  O8  1  0.409  0.919  0.336  1.0
  O  O9  1  0.361  0.361  0.852  1.0
  O  O10  1  0.919  0.409  0.336  1.0
  O  O11  1  0.374  0.865  0.880  1.0
  O  O12  1  0.895  0.895  0.386  1.0
  O  O13  1  0.865  0.374  0.880  1.0
  O  O14  1  0.895  0.895  0.824  1.0
[/CIF]
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