The structure described by MgCu4As2(O4Cl)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted MgCl2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to two equivalent O(1) and two equivalent Cl(1) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one As(1) atom. Cl(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_MgCu4As2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.841
_cell_length_b   7.356
_cell_length_c   6.650
_cell_angle_alpha   93.465
_cell_angle_beta   91.481
_cell_angle_gamma   93.807
_symmetry_Int_Tables_number   1
_cell_volume   235.742
_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  0.500  1.0
  Cu  Cu1  1  0.370  0.288  0.283  1.0
  Cu  Cu2  1  0.630  0.712  0.717  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  As  As5  1  0.470  0.770  0.223  1.0
  As  As6  1  0.530  0.230  0.777  1.0
  Cl  Cl7  1  0.845  0.263  0.287  1.0
  Cl  Cl8  1  0.155  0.737  0.713  1.0
  O  O9  1  0.302  0.555  0.193  1.0
  O  O10  1  0.785  0.074  0.758  1.0
  O  O11  1  0.689  0.803  0.023  1.0
  O  O12  1  0.215  0.926  0.242  1.0
  O  O13  1  0.321  0.200  0.563  1.0
  O  O14  1  0.679  0.800  0.437  1.0
  O  O15  1  0.698  0.445  0.807  1.0
  O  O16  1  0.311  0.197  0.977  1.0
[/CIF]
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The structure described by MgCu4As2(O4Cl)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent Cl(1) atoms to form distorted MgCl2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to two equivalent O(1) and two equivalent Cl(1) atoms. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one As(1) atom. Cl(1) is bonded in a 5-coordinate geometry to one Mg(1), one Cu(2), one Cu(3), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_MgCu4As2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.841
_cell_length_b   7.356
_cell_length_c   6.650
_cell_angle_alpha   93.465
_cell_angle_beta   91.481
_cell_angle_gamma   93.807
_symmetry_Int_Tables_number   1
_cell_volume   235.742
_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  0.500  1.0
  Cu  Cu1  1  0.370  0.288  0.283  1.0
  Cu  Cu2  1  0.630  0.712  0.717  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  As  As5  1  0.470  0.770  0.223  1.0
  As  As6  1  0.530  0.230  0.777  1.0
  Cl  Cl7  1  0.845  0.263  0.287  1.0
  Cl  Cl8  1  0.155  0.737  0.713  1.0
  O  O9  1  0.302  0.555  0.193  1.0
  O  O10  1  0.785  0.074  0.758  1.0
  O  O11  1  0.689  0.803  0.023  1.0
  O  O12  1  0.215  0.926  0.242  1.0
  O  O13  1  0.321  0.200  0.563  1.0
  O  O14  1  0.679  0.800  0.437  1.0
  O  O15  1  0.698  0.445  0.807  1.0
  O  O16  1  0.311  0.197  0.977  1.0
[/CIF]
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