The structure described by WCuZn2O6 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one W(1), one Cu(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2CuW trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Cu(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one W(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.049
_cell_length_c   9.857
_cell_angle_alpha   60.048
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.829
_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
  Zn  Zn0  1  0.475  0.241  0.763  1.0
  Zn  Zn1  1  0.975  0.759  0.737  1.0
  Zn  Zn2  1  0.525  0.759  0.237  1.0
  Zn  Zn3  1  0.025  0.241  0.263  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  W  W6  1  0.500  0.500  0.000  1.0
  W  W7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.195  0.422  0.900  1.0
  O  O9  1  0.695  0.578  0.600  1.0
  O  O10  1  0.805  0.578  0.100  1.0
  O  O11  1  0.305  0.422  0.400  1.0
  O  O12  1  0.313  0.774  0.048  1.0
  O  O13  1  0.813  0.226  0.452  1.0
  O  O14  1  0.687  0.226  0.952  1.0
  O  O15  1  0.187  0.774  0.548  1.0
  O  O16  1  0.114  0.164  0.702  1.0
  O  O17  1  0.614  0.836  0.798  1.0
  O  O18  1  0.386  0.164  0.202  1.0
  O  O19  1  0.886  0.836  0.298  1.0
[/CIF]
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The structure described by WCuZn2O6 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one W(1), one Cu(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2CuW trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Cu(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one W(1) and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_Zn2CuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.049
_cell_length_c   9.857
_cell_angle_alpha   60.048
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.829
_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
  Zn  Zn0  1  0.475  0.241  0.763  1.0
  Zn  Zn1  1  0.975  0.759  0.737  1.0
  Zn  Zn2  1  0.525  0.759  0.237  1.0
  Zn  Zn3  1  0.025  0.241  0.263  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  W  W6  1  0.500  0.500  0.000  1.0
  W  W7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.195  0.422  0.900  1.0
  O  O9  1  0.695  0.578  0.600  1.0
  O  O10  1  0.805  0.578  0.100  1.0
  O  O11  1  0.305  0.422  0.400  1.0
  O  O12  1  0.313  0.774  0.048  1.0
  O  O13  1  0.813  0.226  0.452  1.0
  O  O14  1  0.687  0.226  0.952  1.0
  O  O15  1  0.187  0.774  0.548  1.0
  O  O16  1  0.114  0.164  0.702  1.0
  O  O17  1  0.614  0.836  0.798  1.0
  O  O18  1  0.386  0.164  0.202  1.0
  O  O19  1  0.886  0.836  0.298  1.0
[/CIF]
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