The crystal structure described by MgCu4(OF2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one F(1), and one F(4) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one F(2), and one F(3) atom. In the fourth Cu site, Cu(4) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form corner-sharing OCu4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Mg(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one Mg(1) and one Cu(3) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Mg(1) and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Mg(1) and one Cu(2) atom. is represented by the CIF card [CIF]
data_MgCu4(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.638
_cell_length_c   6.316
_cell_angle_alpha   60.224
_cell_angle_beta   78.642
_cell_angle_gamma   119.327
_symmetry_Int_Tables_number   1
_cell_volume   162.167
_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  0.779  0.752  0.775  1.0
  Cu  Cu1  1  0.503  0.002  0.003  1.0
  Cu  Cu2  1  0.515  0.009  0.494  1.0
  Cu  Cu3  1  0.498  0.495  0.511  1.0
  Cu  Cu4  1  0.005  0.501  0.501  1.0
  O  O5  1  0.614  0.251  0.612  1.0
  O  O6  1  0.394  0.752  0.392  1.0
  F  F7  1  0.685  0.391  0.094  1.0
  F  F8  1  0.874  0.837  0.419  1.0
  F  F9  1  0.098  0.113  0.678  1.0
  F  F10  1  0.421  0.665  0.872  1.0
[/CIF]
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The crystal structure described by MgCu4(OF2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one F(1), and one F(4) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one F(2), and one F(3) atom. In the fourth Cu site, Cu(4) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form corner-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom to form corner-sharing OCu4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to one Mg(1) and one Cu(2) atom. In the second F site, F(2) is bonded in a distorted water-like geometry to one Mg(1) and one Cu(3) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Mg(1) and one Cu(3) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Mg(1) and one Cu(2) atom. is represented by the CIF card [CIF]
data_MgCu4(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.638
_cell_length_c   6.316
_cell_angle_alpha   60.224
_cell_angle_beta   78.642
_cell_angle_gamma   119.327
_symmetry_Int_Tables_number   1
_cell_volume   162.167
_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  0.779  0.752  0.775  1.0
  Cu  Cu1  1  0.503  0.002  0.003  1.0
  Cu  Cu2  1  0.515  0.009  0.494  1.0
  Cu  Cu3  1  0.498  0.495  0.511  1.0
  Cu  Cu4  1  0.005  0.501  0.501  1.0
  O  O5  1  0.614  0.251  0.612  1.0
  O  O6  1  0.394  0.752  0.392  1.0
  F  F7  1  0.685  0.391  0.094  1.0
  F  F8  1  0.874  0.837  0.419  1.0
  F  F9  1  0.098  0.113  0.678  1.0
  F  F10  1  0.421  0.665  0.872  1.0
[/CIF]
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