The structure described by Ca2WO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one W(1) atom. In the third O site, O(3) is bonded to one Ca(1), two equivalent Ca(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OCa3W tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2WO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   7.314
_cell_length_c   10.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.671
_cell_formula_units_Z   4
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  0.250  0.990  0.242  1.0
  Ca  Ca1  1  0.750  0.149  0.420  1.0
  Ca  Ca2  1  0.250  0.351  0.920  1.0
  Ca  Ca3  1  0.750  0.510  0.742  1.0
  Ca  Ca4  1  0.250  0.489  0.258  1.0
  Ca  Ca5  1  0.750  0.649  0.080  1.0
  Ca  Ca6  1  0.250  0.851  0.580  1.0
  Ca  Ca7  1  0.750  0.011  0.758  1.0
  W  W8  1  0.750  0.185  0.059  1.0
  W  W9  1  0.250  0.315  0.559  1.0
  W  W10  1  0.750  0.685  0.441  1.0
  W  W11  1  0.250  0.815  0.941  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.750  0.068  0.215  1.0
  O  O15  1  0.001  0.146  0.598  1.0
  O  O16  1  0.499  0.146  0.598  1.0
  O  O17  1  0.250  0.231  0.379  1.0
  O  O18  1  0.750  0.269  0.879  1.0
  O  O19  1  0.501  0.354  0.098  1.0
  O  O20  1  0.999  0.354  0.098  1.0
  O  O21  1  0.250  0.432  0.715  1.0
  O  O22  1  0.000  0.500  0.500  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.750  0.568  0.285  1.0
  O  O25  1  0.001  0.646  0.902  1.0
  O  O26  1  0.499  0.646  0.902  1.0
  O  O27  1  0.250  0.731  0.121  1.0
  O  O28  1  0.750  0.769  0.621  1.0
  O  O29  1  0.501  0.854  0.402  1.0
  O  O30  1  0.999  0.854  0.402  1.0
  O  O31  1  0.250  0.932  0.785  1.0
[/CIF]
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The structure described by Ca2WO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one W(1) atom. In the third O site, O(3) is bonded to one Ca(1), two equivalent Ca(2), and one W(1) atom to form a mixture of distorted edge and corner-sharing OCa3W tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2WO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.466
_cell_length_b   7.314
_cell_length_c   10.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.671
_cell_formula_units_Z   4
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  0.250  0.990  0.242  1.0
  Ca  Ca1  1  0.750  0.149  0.420  1.0
  Ca  Ca2  1  0.250  0.351  0.920  1.0
  Ca  Ca3  1  0.750  0.510  0.742  1.0
  Ca  Ca4  1  0.250  0.489  0.258  1.0
  Ca  Ca5  1  0.750  0.649  0.080  1.0
  Ca  Ca6  1  0.250  0.851  0.580  1.0
  Ca  Ca7  1  0.750  0.011  0.758  1.0
  W  W8  1  0.750  0.185  0.059  1.0
  W  W9  1  0.250  0.315  0.559  1.0
  W  W10  1  0.750  0.685  0.441  1.0
  W  W11  1  0.250  0.815  0.941  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.750  0.068  0.215  1.0
  O  O15  1  0.001  0.146  0.598  1.0
  O  O16  1  0.499  0.146  0.598  1.0
  O  O17  1  0.250  0.231  0.379  1.0
  O  O18  1  0.750  0.269  0.879  1.0
  O  O19  1  0.501  0.354  0.098  1.0
  O  O20  1  0.999  0.354  0.098  1.0
  O  O21  1  0.250  0.432  0.715  1.0
  O  O22  1  0.000  0.500  0.500  1.0
  O  O23  1  0.500  0.500  0.500  1.0
  O  O24  1  0.750  0.568  0.285  1.0
  O  O25  1  0.001  0.646  0.902  1.0
  O  O26  1  0.499  0.646  0.902  1.0
  O  O27  1  0.250  0.731  0.121  1.0
  O  O28  1  0.750  0.769  0.621  1.0
  O  O29  1  0.501  0.854  0.402  1.0
  O  O30  1  0.999  0.854  0.402  1.0
  O  O31  1  0.250  0.932  0.785  1.0
[/CIF]
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