The compound described by WFeZn2O6 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-88°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one Fe(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Fe(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one W(1), one Fe(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2FeW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   7.984
_cell_length_c   5.305
_cell_angle_alpha   88.367
_cell_angle_beta   90.062
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   223.000
_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  0.021  0.261  0.017  1.0
  Zn  Zn1  1  0.521  0.239  0.483  1.0
  Zn  Zn2  1  0.979  0.739  0.983  1.0
  Zn  Zn3  1  0.479  0.761  0.517  1.0
  Fe  Fe4  1  0.500  0.500  1.000  1.0
  Fe  Fe5  1  1.000  1.000  0.500  1.0
  W  W6  1  0.000  0.500  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.310  0.413  0.646  1.0
  O  O9  1  0.810  0.087  0.854  1.0
  O  O10  1  0.690  0.587  0.354  1.0
  O  O11  1  0.190  0.913  0.146  1.0
  O  O12  1  0.167  0.551  0.179  1.0
  O  O13  1  0.667  0.949  0.321  1.0
  O  O14  1  0.833  0.449  0.821  1.0
  O  O15  1  0.333  0.051  0.679  1.0
  O  O16  1  0.397  0.227  0.115  1.0
  O  O17  1  0.897  0.273  0.385  1.0
  O  O18  1  0.103  0.727  0.615  1.0
  O  O19  1  0.603  0.773  0.885  1.0
[/CIF]
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The compound described by WFeZn2O6 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-88°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one Fe(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Fe(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one W(1), one Fe(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2FeW tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.267
_cell_length_b   7.984
_cell_length_c   5.305
_cell_angle_alpha   88.367
_cell_angle_beta   90.062
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   223.000
_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  0.021  0.261  0.017  1.0
  Zn  Zn1  1  0.521  0.239  0.483  1.0
  Zn  Zn2  1  0.979  0.739  0.983  1.0
  Zn  Zn3  1  0.479  0.761  0.517  1.0
  Fe  Fe4  1  0.500  0.500  1.000  1.0
  Fe  Fe5  1  1.000  1.000  0.500  1.0
  W  W6  1  0.000  0.500  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.310  0.413  0.646  1.0
  O  O9  1  0.810  0.087  0.854  1.0
  O  O10  1  0.690  0.587  0.354  1.0
  O  O11  1  0.190  0.913  0.146  1.0
  O  O12  1  0.167  0.551  0.179  1.0
  O  O13  1  0.667  0.949  0.321  1.0
  O  O14  1  0.833  0.449  0.821  1.0
  O  O15  1  0.333  0.051  0.679  1.0
  O  O16  1  0.397  0.227  0.115  1.0
  O  O17  1  0.897  0.273  0.385  1.0
  O  O18  1  0.103  0.727  0.615  1.0
  O  O19  1  0.603  0.773  0.885  1.0
[/CIF]
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