The material described by Ca(WO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the second W site, W(2) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the third W site, W(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the fourth W site, W(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(3), and one W(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(2), one W(3), and one W(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(3), and one W(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(3), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(2), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(1), one W(2), and one W(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(2), one W(1), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one W(4) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Ca(2), one W(2), and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.583
_cell_length_c   7.817
_cell_angle_alpha   89.792
_cell_angle_beta   89.976
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   240.833
_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  0.509  0.540  0.251  1.0
  Ca  Ca1  1  0.009  0.956  0.749  1.0
  W  W2  1  0.501  0.003  0.999  1.0
  W  W3  1  0.000  0.494  1.000  1.0
  W  W4  1  0.001  0.498  0.499  1.0
  W  W5  1  0.499  0.007  0.499  1.0
  O  O6  1  0.703  0.297  0.458  1.0
  O  O7  1  0.198  0.213  0.540  1.0
  O  O8  1  0.796  0.770  0.029  1.0
  O  O9  1  0.281  0.711  0.975  1.0
  O  O10  1  0.283  0.720  0.530  1.0
  O  O11  1  0.791  0.776  0.473  1.0
  O  O12  1  0.190  0.213  0.959  1.0
  O  O13  1  0.710  0.300  0.040  1.0
  O  O14  1  0.080  0.485  0.245  1.0
  O  O15  1  0.574  0.015  0.744  1.0
  O  O16  1  0.450  0.984  0.256  1.0
  O  O17  1  0.946  0.517  0.756  1.0
[/CIF]
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The material described by Ca(WO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the second W site, W(2) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. In the third W site, W(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the fourth W site, W(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ca(1), one W(3), and one W(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ca(2), one W(3), and one W(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(3), and one W(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ca(2), one W(3), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(2), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ca(1), one W(2), and one W(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(2), one W(1), and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Ca(1), one W(1), and one W(4) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Ca(2), one W(2), and one W(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.519
_cell_length_b   5.583
_cell_length_c   7.817
_cell_angle_alpha   89.792
_cell_angle_beta   89.976
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   240.833
_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  0.509  0.540  0.251  1.0
  Ca  Ca1  1  0.009  0.956  0.749  1.0
  W  W2  1  0.501  0.003  0.999  1.0
  W  W3  1  0.000  0.494  1.000  1.0
  W  W4  1  0.001  0.498  0.499  1.0
  W  W5  1  0.499  0.007  0.499  1.0
  O  O6  1  0.703  0.297  0.458  1.0
  O  O7  1  0.198  0.213  0.540  1.0
  O  O8  1  0.796  0.770  0.029  1.0
  O  O9  1  0.281  0.711  0.975  1.0
  O  O10  1  0.283  0.720  0.530  1.0
  O  O11  1  0.791  0.776  0.473  1.0
  O  O12  1  0.190  0.213  0.959  1.0
  O  O13  1  0.710  0.300  0.040  1.0
  O  O14  1  0.080  0.485  0.245  1.0
  O  O15  1  0.574  0.015  0.744  1.0
  O  O16  1  0.450  0.984  0.256  1.0
  O  O17  1  0.946  0.517  0.756  1.0
[/CIF]
.