The material described by CrWO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second W site, W(2) 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 eight equivalent Cr(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(2) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   4.678
_cell_length_c   4.691
_cell_angle_alpha   91.392
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.206
_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  0.500  0.500  1.0
  O  O1  1  1.000  0.804  0.196  1.0
  O  O2  1  1.000  0.196  0.804  1.0
  O  O3  1  0.500  0.698  0.697  1.0
  O  O4  1  0.500  0.302  0.303  1.0
  W  W5  1  0.500  0.000  1.000  1.0
[/CIF]
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The material described by CrWO4 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with eight equivalent Cr(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second W site, W(2) 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 eight equivalent Cr(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one W(2) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.109
_cell_length_b   4.678
_cell_length_c   4.691
_cell_angle_alpha   91.392
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   68.206
_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  0.500  0.500  1.0
  O  O1  1  1.000  0.804  0.196  1.0
  O  O2  1  1.000  0.196  0.804  1.0
  O  O3  1  0.500  0.698  0.697  1.0
  O  O4  1  0.500  0.302  0.303  1.0
  W  W5  1  0.500  0.000  1.000  1.0
[/CIF]
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