The material structure described by WMnZn2O6 crystallizes in the triclinic P1 space group. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-44°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra and edges with three equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the second O site, O(2) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the third O site, O(3) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MnZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.322
_cell_length_c   5.651
_cell_angle_alpha   61.953
_cell_angle_beta   61.918
_cell_angle_gamma   60.009
_symmetry_Int_Tables_number   1
_cell_volume   116.363
_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
  Mn  Mn0  1  0.515  0.498  0.488  1.0
  O  O1  1  0.816  0.376  0.711  1.0
  O  O2  1  0.113  0.798  0.712  1.0
  O  O3  1  0.392  0.096  0.712  1.0
  O  O4  1  0.260  0.630  0.197  1.0
  O  O5  1  0.645  0.914  0.197  1.0
  O  O6  1  0.930  0.242  0.198  1.0
  W  W7  1  0.014  0.998  0.991  1.0
  Zn  Zn8  1  0.226  0.210  0.352  1.0
  Zn  Zn9  1  0.759  0.742  0.756  1.0
[/CIF]
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The material structure described by WMnZn2O6 crystallizes in the triclinic P1 space group. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-44°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent W(1)O6 octahedra and edges with three equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the second O site, O(2) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the third O site, O(3) is bonded to one W(1), one Mn(1), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMnZn2W tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one Mn(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MnZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   5.322
_cell_length_c   5.651
_cell_angle_alpha   61.953
_cell_angle_beta   61.918
_cell_angle_gamma   60.009
_symmetry_Int_Tables_number   1
_cell_volume   116.363
_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
  Mn  Mn0  1  0.515  0.498  0.488  1.0
  O  O1  1  0.816  0.376  0.711  1.0
  O  O2  1  0.113  0.798  0.712  1.0
  O  O3  1  0.392  0.096  0.712  1.0
  O  O4  1  0.260  0.630  0.197  1.0
  O  O5  1  0.645  0.914  0.197  1.0
  O  O6  1  0.930  0.242  0.198  1.0
  W  W7  1  0.014  0.998  0.991  1.0
  Zn  Zn8  1  0.226  0.210  0.352  1.0
  Zn  Zn9  1  0.759  0.742  0.756  1.0
[/CIF]
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