The compound described by CaWO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent W(1) atoms to form distorted corner-sharing OCa3W2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_CaWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.099
_cell_length_b   4.099
_cell_length_c   4.129
_cell_angle_alpha   88.900
_cell_angle_beta   88.900
_cell_angle_gamma   86.752
_symmetry_Int_Tables_number   1
_cell_volume   69.250
_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  0.551  0.551  0.500  1.0
  W  W1  1  0.973  0.973  0.008  1.0
  O  O2  1  0.949  0.949  0.511  1.0
  O  O3  1  0.469  0.939  0.018  1.0
  O  O4  1  0.939  0.469  0.018  1.0
[/CIF]
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The compound described by CaWO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ca(1) and two equivalent W(1) atoms to form distorted corner-sharing OCa3W2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_CaWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.099
_cell_length_b   4.099
_cell_length_c   4.129
_cell_angle_alpha   88.900
_cell_angle_beta   88.900
_cell_angle_gamma   86.752
_symmetry_Int_Tables_number   1
_cell_volume   69.250
_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  0.551  0.551  0.500  1.0
  W  W1  1  0.973  0.973  0.008  1.0
  O  O2  1  0.949  0.949  0.511  1.0
  O  O3  1  0.469  0.939  0.018  1.0
  O  O4  1  0.939  0.469  0.018  1.0
[/CIF]
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