The material described by Ca(W2O3)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second W site, W(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(2) and four equivalent W(1) atoms to form OW6 octahedra that share corners with four equivalent O(3)CaW5 octahedra, corners with two equivalent O(4)Ca2W2 tetrahedra, edges with two equivalent O(1)W6 octahedra, edges with six equivalent O(3)CaW5 octahedra, and edges with four equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to two equivalent Ca(1), one W(1), and two equivalent W(2) atoms to form distorted OCa2W3 trigonal bipyramids that share corners with five equivalent O(3)CaW5 octahedra, corners with four equivalent O(4)Ca2W2 tetrahedra, corners with two equivalent O(2)Ca2W3 trigonal bipyramids, edges with two equivalent O(1)W6 octahedra, edges with three equivalent O(3)CaW5 octahedra,  an edgeedge with one O(4)Ca2W2 tetrahedra, and edges with three equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-41°. In the third O site, O(3) is bonded to one Ca(1), two equivalent W(2), and three equivalent W(1) atoms to form OCaW5 octahedra that share  a cornercorner with one O(3)CaW5 octahedra, corners with two equivalent O(1)W6 octahedra, corners with five equivalent O(2)Ca2W3 trigonal bipyramids, edges with three equivalent O(1)W6 octahedra, edges with four equivalent O(3)CaW5 octahedra, edges with two equivalent O(4)Ca2W2 tetrahedra, and edges with three equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-51°. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent W(2) atoms to form OCa2W2 tetrahedra that share corners with two equivalent O(1)W6 octahedra, corners with two equivalent O(4)Ca2W2 tetrahedra, corners with eight equivalent O(2)Ca2W3 trigonal bipyramids, edges with four equivalent O(3)CaW5 octahedra, and edges with two equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Ca(W2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.618
_cell_length_c   16.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.384
_symmetry_Int_Tables_number   1
_cell_volume   286.135
_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  0.326  0.674  0.750  1.0
  Ca  Ca1  1  0.674  0.326  0.250  1.0
  W  W2  1  0.148  0.852  0.040  1.0
  W  W3  1  0.585  0.415  0.635  1.0
  W  W4  1  0.852  0.148  0.960  1.0
  W  W5  1  0.415  0.585  0.365  1.0
  W  W6  1  0.148  0.852  0.460  1.0
  W  W7  1  0.852  0.148  0.540  1.0
  W  W8  1  0.415  0.585  0.135  1.0
  W  W9  1  0.585  0.415  0.865  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.950  0.050  0.843  1.0
  O  O13  1  0.050  0.950  0.157  1.0
  O  O14  1  0.050  0.950  0.343  1.0
  O  O15  1  0.950  0.050  0.657  1.0
  O  O16  1  0.220  0.780  0.896  1.0
  O  O17  1  0.780  0.220  0.104  1.0
  O  O18  1  0.780  0.220  0.396  1.0
  O  O19  1  0.220  0.780  0.604  1.0
  O  O20  1  0.675  0.325  0.750  1.0
  O  O21  1  0.325  0.675  0.250  1.0
[/CIF]
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The material described by Ca(W2O3)2 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second W site, W(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(2) and four equivalent W(1) atoms to form OW6 octahedra that share corners with four equivalent O(3)CaW5 octahedra, corners with two equivalent O(4)Ca2W2 tetrahedra, edges with two equivalent O(1)W6 octahedra, edges with six equivalent O(3)CaW5 octahedra, and edges with four equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to two equivalent Ca(1), one W(1), and two equivalent W(2) atoms to form distorted OCa2W3 trigonal bipyramids that share corners with five equivalent O(3)CaW5 octahedra, corners with four equivalent O(4)Ca2W2 tetrahedra, corners with two equivalent O(2)Ca2W3 trigonal bipyramids, edges with two equivalent O(1)W6 octahedra, edges with three equivalent O(3)CaW5 octahedra,  an edgeedge with one O(4)Ca2W2 tetrahedra, and edges with three equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-41°. In the third O site, O(3) is bonded to one Ca(1), two equivalent W(2), and three equivalent W(1) atoms to form OCaW5 octahedra that share  a cornercorner with one O(3)CaW5 octahedra, corners with two equivalent O(1)W6 octahedra, corners with five equivalent O(2)Ca2W3 trigonal bipyramids, edges with three equivalent O(1)W6 octahedra, edges with four equivalent O(3)CaW5 octahedra, edges with two equivalent O(4)Ca2W2 tetrahedra, and edges with three equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-51°. In the fourth O site, O(4) is bonded to two equivalent Ca(1) and two equivalent W(2) atoms to form OCa2W2 tetrahedra that share corners with two equivalent O(1)W6 octahedra, corners with two equivalent O(4)Ca2W2 tetrahedra, corners with eight equivalent O(2)Ca2W3 trigonal bipyramids, edges with four equivalent O(3)CaW5 octahedra, and edges with two equivalent O(2)Ca2W3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Ca(W2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.618
_cell_length_b   5.618
_cell_length_c   16.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.384
_symmetry_Int_Tables_number   1
_cell_volume   286.135
_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  0.326  0.674  0.750  1.0
  Ca  Ca1  1  0.674  0.326  0.250  1.0
  W  W2  1  0.148  0.852  0.040  1.0
  W  W3  1  0.585  0.415  0.635  1.0
  W  W4  1  0.852  0.148  0.960  1.0
  W  W5  1  0.415  0.585  0.365  1.0
  W  W6  1  0.148  0.852  0.460  1.0
  W  W7  1  0.852  0.148  0.540  1.0
  W  W8  1  0.415  0.585  0.135  1.0
  W  W9  1  0.585  0.415  0.865  1.0
  O  O10  1  0.500  0.500  0.500  1.0
  O  O11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.950  0.050  0.843  1.0
  O  O13  1  0.050  0.950  0.157  1.0
  O  O14  1  0.050  0.950  0.343  1.0
  O  O15  1  0.950  0.050  0.657  1.0
  O  O16  1  0.220  0.780  0.896  1.0
  O  O17  1  0.780  0.220  0.104  1.0
  O  O18  1  0.780  0.220  0.396  1.0
  O  O19  1  0.220  0.780  0.604  1.0
  O  O20  1  0.675  0.325  0.750  1.0
  O  O21  1  0.325  0.675  0.250  1.0
[/CIF]
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