The crystal structure described by MgCu2(BiO2)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MgCu2(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   7.117
_cell_length_c   6.975
_cell_angle_alpha   79.950
_cell_angle_beta   64.296
_cell_angle_gamma   64.848
_symmetry_Int_Tables_number   1
_cell_volume   244.922
_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  0.190  0.500  0.500  1.0
  Cu  Cu1  1  0.688  0.000  0.000  1.0
  Cu  Cu2  1  0.188  0.000  0.000  1.0
  Bi  Bi3  1  0.709  0.503  0.135  1.0
  Bi  Bi4  1  0.747  0.886  0.499  1.0
  Bi  Bi5  1  0.132  0.114  0.501  1.0
  Bi  Bi6  1  0.347  0.497  0.865  1.0
  O  O7  1  0.732  0.101  0.718  1.0
  O  O8  1  0.333  0.898  0.715  1.0
  O  O9  1  0.550  0.899  0.282  1.0
  O  O10  1  0.495  0.298  0.108  1.0
  O  O11  1  0.104  0.295  0.895  1.0
  O  O12  1  0.946  0.102  0.285  1.0
  O  O13  1  0.901  0.702  0.892  1.0
  O  O14  1  0.295  0.705  0.105  1.0
[/CIF]
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The crystal structure described by MgCu2(BiO2)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Bi(1), two equivalent Bi(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Cu(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(2), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MgCu2(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   7.117
_cell_length_c   6.975
_cell_angle_alpha   79.950
_cell_angle_beta   64.296
_cell_angle_gamma   64.848
_symmetry_Int_Tables_number   1
_cell_volume   244.922
_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  0.190  0.500  0.500  1.0
  Cu  Cu1  1  0.688  0.000  0.000  1.0
  Cu  Cu2  1  0.188  0.000  0.000  1.0
  Bi  Bi3  1  0.709  0.503  0.135  1.0
  Bi  Bi4  1  0.747  0.886  0.499  1.0
  Bi  Bi5  1  0.132  0.114  0.501  1.0
  Bi  Bi6  1  0.347  0.497  0.865  1.0
  O  O7  1  0.732  0.101  0.718  1.0
  O  O8  1  0.333  0.898  0.715  1.0
  O  O9  1  0.550  0.899  0.282  1.0
  O  O10  1  0.495  0.298  0.108  1.0
  O  O11  1  0.104  0.295  0.895  1.0
  O  O12  1  0.946  0.102  0.285  1.0
  O  O13  1  0.901  0.702  0.892  1.0
  O  O14  1  0.295  0.705  0.105  1.0
[/CIF]
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