The material described by Ca(WO2)2 crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form WO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the second W site, W(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra, edges with two equivalent W(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one W(1), and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_Ca(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   121.373
_cell_angle_beta   117.310
_cell_angle_gamma   91.180
_symmetry_Int_Tables_number   1
_cell_volume   196.117
_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
  Ca  Ca0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  W  W2  1  0.605  0.855  0.750  1.0
  W  W3  1  0.395  0.145  0.250  1.0
  W  W4  1  0.000  0.000  0.500  1.0
  W  W5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.239  0.236  0.497  1.0
  O  O7  1  0.208  0.238  0.970  1.0
  O  O8  1  0.239  0.742  0.003  1.0
  O  O9  1  0.767  0.238  0.530  1.0
  O  O10  1  0.233  0.762  0.470  1.0
  O  O11  1  0.792  0.762  0.030  1.0
  O  O12  1  0.761  0.258  0.997  1.0
  O  O13  1  0.761  0.764  0.503  1.0
[/CIF]
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The material described by Ca(WO2)2 crystallizes in the orthorhombic Imma space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra, edges with two equivalent Ca(1)O6 octahedra, and edges with four equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form WO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra and corners with six equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-71°. In the second W site, W(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent W(1)O4 tetrahedra, edges with two equivalent W(2)O6 octahedra, and edges with four equivalent Ca(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ca(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ca(1), one W(1), and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_Ca(WO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   121.373
_cell_angle_beta   117.310
_cell_angle_gamma   91.180
_symmetry_Int_Tables_number   1
_cell_volume   196.117
_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
  Ca  Ca0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.500  0.500  1.0
  W  W2  1  0.605  0.855  0.750  1.0
  W  W3  1  0.395  0.145  0.250  1.0
  W  W4  1  0.000  0.000  0.500  1.0
  W  W5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.239  0.236  0.497  1.0
  O  O7  1  0.208  0.238  0.970  1.0
  O  O8  1  0.239  0.742  0.003  1.0
  O  O9  1  0.767  0.238  0.530  1.0
  O  O10  1  0.233  0.762  0.470  1.0
  O  O11  1  0.792  0.762  0.030  1.0
  O  O12  1  0.761  0.258  0.997  1.0
  O  O13  1  0.761  0.764  0.503  1.0
[/CIF]
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