The crystal structure described by Cu2OCl2 crystallizes in the orthorhombic Fddd space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded to four equivalent Cu(1) atoms to form corner-sharing OCu4 tetrahedra. Cl(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   6.401
_cell_length_c   6.193
_cell_angle_alpha   65.893
_cell_angle_beta   58.515
_cell_angle_gamma   55.592
_symmetry_Int_Tables_number   1
_cell_volume   188.567
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.125  0.625  0.125  1.0
  Cu  Cu1  1  0.125  0.125  0.625  1.0
  Cu  Cu2  1  0.125  0.125  0.125  1.0
  Cu  Cu3  1  0.625  0.125  0.125  1.0
  Cl  Cl4  1  0.288  0.288  0.712  1.0
  Cl  Cl5  1  0.712  0.712  0.288  1.0
  Cl  Cl6  1  0.538  0.538  0.962  1.0
  Cl  Cl7  1  0.962  0.962  0.538  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
[/CIF]
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The crystal structure described by Cu2OCl2 crystallizes in the orthorhombic Fddd space group. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent Cl(1) atoms. O(1) is bonded to four equivalent Cu(1) atoms to form corner-sharing OCu4 tetrahedra. Cl(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   6.401
_cell_length_c   6.193
_cell_angle_alpha   65.893
_cell_angle_beta   58.515
_cell_angle_gamma   55.592
_symmetry_Int_Tables_number   1
_cell_volume   188.567
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.125  0.625  0.125  1.0
  Cu  Cu1  1  0.125  0.125  0.625  1.0
  Cu  Cu2  1  0.125  0.125  0.125  1.0
  Cu  Cu3  1  0.625  0.125  0.125  1.0
  Cl  Cl4  1  0.288  0.288  0.712  1.0
  Cl  Cl5  1  0.712  0.712  0.288  1.0
  Cl  Cl6  1  0.538  0.538  0.962  1.0
  Cl  Cl7  1  0.962  0.962  0.538  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
[/CIF]
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