The compound described by Ca2WO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ca2WO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.066
_cell_length_b   9.066
_cell_length_c   9.066
_cell_angle_alpha   147.878
_cell_angle_beta   143.479
_cell_angle_gamma   49.417
_symmetry_Int_Tables_number   1
_cell_volume   234.759
_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  0.792  0.417  0.521  1.0
  Ca  Ca1  1  0.604  0.229  0.521  1.0
  Ca  Ca2  1  0.104  0.583  0.375  1.0
  Ca  Ca3  1  0.292  0.771  0.375  1.0
  W  W4  1  0.494  0.500  0.994  1.0
  W  W5  1  0.994  0.000  0.994  1.0
  O  O6  1  0.460  0.525  0.485  1.0
  O  O7  1  0.960  0.475  0.935  1.0
  O  O8  1  0.440  0.249  0.896  1.0
  O  O9  1  0.647  0.751  0.191  1.0
  O  O10  1  0.940  0.044  0.191  1.0
  O  O11  1  0.147  0.956  0.896  1.0
  O  O12  1  0.790  0.277  0.984  1.0
  O  O13  1  0.707  0.723  0.512  1.0
  O  O14  1  0.207  0.694  0.984  1.0
  O  O15  1  0.290  0.306  0.512  1.0
[/CIF]
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The compound described by Ca2WO5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Ca(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ca2WO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.066
_cell_length_b   9.066
_cell_length_c   9.066
_cell_angle_alpha   147.878
_cell_angle_beta   143.479
_cell_angle_gamma   49.417
_symmetry_Int_Tables_number   1
_cell_volume   234.759
_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  0.792  0.417  0.521  1.0
  Ca  Ca1  1  0.604  0.229  0.521  1.0
  Ca  Ca2  1  0.104  0.583  0.375  1.0
  Ca  Ca3  1  0.292  0.771  0.375  1.0
  W  W4  1  0.494  0.500  0.994  1.0
  W  W5  1  0.994  0.000  0.994  1.0
  O  O6  1  0.460  0.525  0.485  1.0
  O  O7  1  0.960  0.475  0.935  1.0
  O  O8  1  0.440  0.249  0.896  1.0
  O  O9  1  0.647  0.751  0.191  1.0
  O  O10  1  0.940  0.044  0.191  1.0
  O  O11  1  0.147  0.956  0.896  1.0
  O  O12  1  0.790  0.277  0.984  1.0
  O  O13  1  0.707  0.723  0.512  1.0
  O  O14  1  0.207  0.694  0.984  1.0
  O  O15  1  0.290  0.306  0.512  1.0
[/CIF]
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