The material structure described by MgCu4(O3Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), four equivalent O(1), and two equivalent Cl(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted CuCl2O4 octahedra that share edges with two equivalent Cu(2)Cl2O4 octahedra and edges with two equivalent Cu(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Cl(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. Cl(1) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(3), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_MgCu4(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.957
_cell_length_c   5.961
_cell_angle_alpha   62.941
_cell_angle_beta   63.095
_cell_angle_gamma   63.115
_symmetry_Int_Tables_number   1
_cell_volume   159.102
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cl  Cl5  1  0.802  0.802  0.802  1.0
  Cl  Cl6  1  0.198  0.198  0.198  1.0
  O  O7  1  0.747  0.325  0.748  1.0
  O  O8  1  0.323  0.749  0.750  1.0
  O  O9  1  0.747  0.748  0.325  1.0
  O  O10  1  0.253  0.675  0.252  1.0
  O  O11  1  0.677  0.251  0.250  1.0
  O  O12  1  0.253  0.252  0.675  1.0
[/CIF]
.
The material structure described by MgCu4(O3Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), four equivalent O(1), and two equivalent Cl(1) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing CuO6 octahedra. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms to form distorted CuCl2O4 octahedra that share edges with two equivalent Cu(2)Cl2O4 octahedra and edges with two equivalent Cu(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Cl(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Cu(1), one Cu(2), and one Cu(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Cu(1), and two equivalent Cu(2) atoms. Cl(1) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(3), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_MgCu4(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.957
_cell_length_c   5.961
_cell_angle_alpha   62.941
_cell_angle_beta   63.095
_cell_angle_gamma   63.115
_symmetry_Int_Tables_number   1
_cell_volume   159.102
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cl  Cl5  1  0.802  0.802  0.802  1.0
  Cl  Cl6  1  0.198  0.198  0.198  1.0
  O  O7  1  0.747  0.325  0.748  1.0
  O  O8  1  0.323  0.749  0.750  1.0
  O  O9  1  0.747  0.748  0.325  1.0
  O  O10  1  0.253  0.675  0.252  1.0
  O  O11  1  0.677  0.251  0.250  1.0
  O  O12  1  0.253  0.252  0.675  1.0
[/CIF]
.