The crystal structure described by Ca3WO5Cl2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), one Cl(2), and two equivalent Cl(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(1), and one Cl(2) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(1), and three equivalent Cl(2) atoms. W(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one W(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Ca(3), and one W(1) atom to form OCa3W tetrahedra that share corners with four equivalent O(3)Ca3W tetrahedra, corners with four equivalent Cl(1)Ca4 trigonal pyramids, edges with two equivalent O(2)Ca3W tetrahedra, and edges with two equivalent O(3)Ca3W tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one Ca(3), and one W(1) atom to form OCa3W tetrahedra that share corners with four equivalent O(2)Ca3W tetrahedra, corners with two equivalent Cl(1)Ca4 trigonal pyramids, edges with two equivalent O(2)Ca3W tetrahedra, edges with two equivalent O(3)Ca3W tetrahedra, and  an edgeedge with one Cl(1)Ca4 trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ca(2), one Ca(3), and two equivalent Ca(1) atoms to form distorted ClCa4 trigonal pyramids that share corners with four equivalent O(3)Ca3W tetrahedra, corners with eight equivalent O(2)Ca3W tetrahedra, corners with two equivalent Cl(1)Ca4 trigonal pyramids, and edges with two equivalent O(3)Ca3W tetrahedra. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), and three equivalent Ca(3) atoms. is represented by the CIF card [CIF]
data_Ca3WCl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   11.293
_cell_length_c   11.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   766.376
_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  0.750  0.835  0.860  1.0
  Ca  Ca1  1  0.250  0.165  0.140  1.0
  Ca  Ca2  1  0.750  0.665  0.360  1.0
  Ca  Ca3  1  0.750  0.330  0.833  1.0
  Ca  Ca4  1  0.250  0.920  0.341  1.0
  Ca  Ca5  1  0.250  0.830  0.667  1.0
  Ca  Ca6  1  0.750  0.420  0.159  1.0
  Ca  Ca7  1  0.250  0.580  0.841  1.0
  Ca  Ca8  1  0.250  0.335  0.640  1.0
  Ca  Ca9  1  0.750  0.080  0.659  1.0
  Ca  Ca10  1  0.750  0.170  0.333  1.0
  Ca  Ca11  1  0.250  0.670  0.167  1.0
  W  W12  1  0.250  0.415  0.308  1.0
  W  W13  1  0.250  0.085  0.808  1.0
  W  W14  1  0.750  0.915  0.192  1.0
  W  W15  1  0.750  0.585  0.692  1.0
  Cl  Cl16  1  0.250  0.716  0.467  1.0
  Cl  Cl17  1  0.750  0.284  0.533  1.0
  Cl  Cl18  1  0.250  0.084  0.523  1.0
  Cl  Cl19  1  0.250  0.416  0.023  1.0
  Cl  Cl20  1  0.750  0.216  0.033  1.0
  Cl  Cl21  1  0.750  0.916  0.477  1.0
  Cl  Cl22  1  0.250  0.784  0.967  1.0
  Cl  Cl23  1  0.750  0.584  0.977  1.0
  O  O24  1  0.750  0.591  0.544  1.0
  O  O25  1  0.250  0.091  0.956  1.0
  O  O26  1  0.983  0.033  0.236  1.0
  O  O27  1  0.517  0.033  0.236  1.0
  O  O28  1  0.478  0.300  0.258  1.0
  O  O29  1  0.250  0.409  0.456  1.0
  O  O30  1  0.517  0.467  0.736  1.0
  O  O31  1  0.483  0.967  0.764  1.0
  O  O32  1  0.750  0.909  0.044  1.0
  O  O33  1  0.478  0.200  0.758  1.0
  O  O34  1  0.017  0.967  0.764  1.0
  O  O35  1  0.522  0.700  0.742  1.0
  O  O36  1  0.022  0.300  0.258  1.0
  O  O37  1  0.522  0.800  0.242  1.0
  O  O38  1  0.022  0.200  0.758  1.0
  O  O39  1  0.978  0.700  0.742  1.0
  O  O40  1  0.983  0.467  0.736  1.0
  O  O41  1  0.978  0.800  0.242  1.0
  O  O42  1  0.017  0.533  0.264  1.0
  O  O43  1  0.483  0.533  0.264  1.0
[/CIF]
.
The crystal structure described by Ca3WO5Cl2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), one Cl(2), and two equivalent Cl(1) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(1), and one Cl(2) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), one Cl(1), and three equivalent Cl(2) atoms. W(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one W(1) atom. In the second O site, O(2) is bonded to one Ca(1), one Ca(2), one Ca(3), and one W(1) atom to form OCa3W tetrahedra that share corners with four equivalent O(3)Ca3W tetrahedra, corners with four equivalent Cl(1)Ca4 trigonal pyramids, edges with two equivalent O(2)Ca3W tetrahedra, and edges with two equivalent O(3)Ca3W tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one Ca(3), and one W(1) atom to form OCa3W tetrahedra that share corners with four equivalent O(2)Ca3W tetrahedra, corners with two equivalent Cl(1)Ca4 trigonal pyramids, edges with two equivalent O(2)Ca3W tetrahedra, edges with two equivalent O(3)Ca3W tetrahedra, and  an edgeedge with one Cl(1)Ca4 trigonal pyramid. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Ca(2), one Ca(3), and two equivalent Ca(1) atoms to form distorted ClCa4 trigonal pyramids that share corners with four equivalent O(3)Ca3W tetrahedra, corners with eight equivalent O(2)Ca3W tetrahedra, corners with two equivalent Cl(1)Ca4 trigonal pyramids, and edges with two equivalent O(3)Ca3W tetrahedra. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), and three equivalent Ca(3) atoms. is represented by the CIF card [CIF]
data_Ca3WCl2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   11.293
_cell_length_c   11.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   766.376
_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  0.750  0.835  0.860  1.0
  Ca  Ca1  1  0.250  0.165  0.140  1.0
  Ca  Ca2  1  0.750  0.665  0.360  1.0
  Ca  Ca3  1  0.750  0.330  0.833  1.0
  Ca  Ca4  1  0.250  0.920  0.341  1.0
  Ca  Ca5  1  0.250  0.830  0.667  1.0
  Ca  Ca6  1  0.750  0.420  0.159  1.0
  Ca  Ca7  1  0.250  0.580  0.841  1.0
  Ca  Ca8  1  0.250  0.335  0.640  1.0
  Ca  Ca9  1  0.750  0.080  0.659  1.0
  Ca  Ca10  1  0.750  0.170  0.333  1.0
  Ca  Ca11  1  0.250  0.670  0.167  1.0
  W  W12  1  0.250  0.415  0.308  1.0
  W  W13  1  0.250  0.085  0.808  1.0
  W  W14  1  0.750  0.915  0.192  1.0
  W  W15  1  0.750  0.585  0.692  1.0
  Cl  Cl16  1  0.250  0.716  0.467  1.0
  Cl  Cl17  1  0.750  0.284  0.533  1.0
  Cl  Cl18  1  0.250  0.084  0.523  1.0
  Cl  Cl19  1  0.250  0.416  0.023  1.0
  Cl  Cl20  1  0.750  0.216  0.033  1.0
  Cl  Cl21  1  0.750  0.916  0.477  1.0
  Cl  Cl22  1  0.250  0.784  0.967  1.0
  Cl  Cl23  1  0.750  0.584  0.977  1.0
  O  O24  1  0.750  0.591  0.544  1.0
  O  O25  1  0.250  0.091  0.956  1.0
  O  O26  1  0.983  0.033  0.236  1.0
  O  O27  1  0.517  0.033  0.236  1.0
  O  O28  1  0.478  0.300  0.258  1.0
  O  O29  1  0.250  0.409  0.456  1.0
  O  O30  1  0.517  0.467  0.736  1.0
  O  O31  1  0.483  0.967  0.764  1.0
  O  O32  1  0.750  0.909  0.044  1.0
  O  O33  1  0.478  0.200  0.758  1.0
  O  O34  1  0.017  0.967  0.764  1.0
  O  O35  1  0.522  0.700  0.742  1.0
  O  O36  1  0.022  0.300  0.258  1.0
  O  O37  1  0.522  0.800  0.242  1.0
  O  O38  1  0.022  0.200  0.758  1.0
  O  O39  1  0.978  0.700  0.742  1.0
  O  O40  1  0.983  0.467  0.736  1.0
  O  O41  1  0.978  0.800  0.242  1.0
  O  O42  1  0.017  0.533  0.264  1.0
  O  O43  1  0.483  0.533  0.264  1.0
[/CIF]
.