The material structure described by WCrO6 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 distorted WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. Cr(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 CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.409
_cell_length_c   7.576
_cell_angle_alpha   89.248
_cell_angle_beta   134.623
_cell_angle_gamma   60.267
_symmetry_Int_Tables_number   1
_cell_volume   109.739
_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
  Cr  Cr0  1  0.000  0.999  0.517  1.0
  W  W1  1  0.003  0.993  0.019  1.0
  O  O2  1  0.013  0.935  0.260  1.0
  O  O3  1  0.994  0.956  0.734  1.0
  O  O4  1  0.483  0.462  0.740  1.0
  O  O5  1  0.518  0.948  0.253  1.0
  O  O6  1  0.488  0.947  0.738  1.0
  O  O7  1  0.518  0.434  0.249  1.0
[/CIF]
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The material structure described by WCrO6 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 distorted WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. Cr(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 CrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one W(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one W(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.342
_cell_length_b   5.409
_cell_length_c   7.576
_cell_angle_alpha   89.248
_cell_angle_beta   134.623
_cell_angle_gamma   60.267
_symmetry_Int_Tables_number   1
_cell_volume   109.739
_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
  Cr  Cr0  1  0.000  0.999  0.517  1.0
  W  W1  1  0.003  0.993  0.019  1.0
  O  O2  1  0.013  0.935  0.260  1.0
  O  O3  1  0.994  0.956  0.734  1.0
  O  O4  1  0.483  0.462  0.740  1.0
  O  O5  1  0.518  0.948  0.253  1.0
  O  O6  1  0.488  0.947  0.738  1.0
  O  O7  1  0.518  0.434  0.249  1.0
[/CIF]
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