The material structure described by Ca(WO2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second W site, W(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third W site, W(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth W site, W(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(3) and two equivalent W(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one W(1) and two equivalent W(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(4) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(2) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), one W(4), and two equivalent W(1) atoms to form a mixture of distorted edge and corner-sharing OCa2W3 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one W(3), and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one W(1), and two equivalent W(4) atoms. In the eighth O site, O(8) is bonded to two equivalent Ca(1), one W(2), and two equivalent W(3) atoms to form a mixture of distorted edge and corner-sharing OCa2W3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ca(WO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.345
_cell_length_b   7.285
_cell_length_c   7.330
_cell_angle_alpha   88.294
_cell_angle_beta   101.038
_cell_angle_gamma   101.725
_symmetry_Int_Tables_number   1
_cell_volume   171.625
_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
  Ca  Ca0  1  0.521  0.014  0.023  1.0
  W  W1  1  0.169  0.824  0.561  1.0
  W  W2  1  0.383  0.527  0.210  1.0
  W  W3  1  0.653  0.473  0.857  1.0
  W  W4  1  0.863  0.176  0.503  1.0
  O  O5  1  0.479  0.287  0.634  1.0
  O  O6  1  0.172  0.618  0.759  1.0
  O  O7  1  0.878  0.390  0.318  1.0
  O  O8  1  0.555  0.712  0.422  1.0
  O  O9  1  0.802  0.964  0.714  1.0
  O  O10  1  0.879  0.679  0.087  1.0
  O  O11  1  0.224  0.048  0.348  1.0
  O  O12  1  0.149  0.311  0.995  1.0
[/CIF]
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The material structure described by Ca(WO2)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second W site, W(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third W site, W(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth W site, W(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(3) and two equivalent W(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one W(1) and two equivalent W(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(4) and two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(2) and two equivalent W(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), one W(4), and two equivalent W(1) atoms to form a mixture of distorted edge and corner-sharing OCa2W3 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one W(3), and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one W(1), and two equivalent W(4) atoms. In the eighth O site, O(8) is bonded to two equivalent Ca(1), one W(2), and two equivalent W(3) atoms to form a mixture of distorted edge and corner-sharing OCa2W3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ca(WO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.345
_cell_length_b   7.285
_cell_length_c   7.330
_cell_angle_alpha   88.294
_cell_angle_beta   101.038
_cell_angle_gamma   101.725
_symmetry_Int_Tables_number   1
_cell_volume   171.625
_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
  Ca  Ca0  1  0.521  0.014  0.023  1.0
  W  W1  1  0.169  0.824  0.561  1.0
  W  W2  1  0.383  0.527  0.210  1.0
  W  W3  1  0.653  0.473  0.857  1.0
  W  W4  1  0.863  0.176  0.503  1.0
  O  O5  1  0.479  0.287  0.634  1.0
  O  O6  1  0.172  0.618  0.759  1.0
  O  O7  1  0.878  0.390  0.318  1.0
  O  O8  1  0.555  0.712  0.422  1.0
  O  O9  1  0.802  0.964  0.714  1.0
  O  O10  1  0.879  0.679  0.087  1.0
  O  O11  1  0.224  0.048  0.348  1.0
  O  O12  1  0.149  0.311  0.995  1.0
[/CIF]
.