The compound described by Ca2W3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CaO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-53°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Ca(1), one W(1), and two equivalent W(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OCa2W2 trigonal pyramids. is represented by the CIF card [CIF]
data_Ca2W3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.540
_cell_length_b   6.540
_cell_length_c   4.893
_cell_angle_alpha   76.861
_cell_angle_beta   76.861
_cell_angle_gamma   52.831
_symmetry_Int_Tables_number   1
_cell_volume   161.339
_cell_formula_units_Z   1
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  0.727  0.727  0.328  1.0
  Ca  Ca1  1  0.273  0.273  0.672  1.0
  W  W2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.772  0.228  0.000  1.0
  W  W4  1  0.228  0.772  0.000  1.0
  O  O5  1  0.410  0.410  0.912  1.0
  O  O6  1  0.590  0.590  0.088  1.0
  O  O7  1  0.875  0.875  0.903  1.0
  O  O8  1  0.125  0.125  0.097  1.0
  O  O9  1  0.343  0.876  0.607  1.0
  O  O10  1  0.876  0.343  0.607  1.0
  O  O11  1  0.124  0.657  0.393  1.0
  O  O12  1  0.657  0.124  0.393  1.0
[/CIF]
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The compound described by Ca2W3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CaO6 pentagonal pyramids that share corners with three equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-53°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 pentagonal pyramids, edges with four equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with four equivalent Ca(1)O6 pentagonal pyramids, edges with two equivalent W(1)O6 octahedra, edges with two equivalent W(2)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent W(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Ca(1), one W(1), and two equivalent W(2) atoms. In the third O site, O(3) is bonded to two equivalent Ca(1), one W(1), and one W(2) atom to form a mixture of distorted corner and edge-sharing OCa2W2 trigonal pyramids. is represented by the CIF card [CIF]
data_Ca2W3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.540
_cell_length_b   6.540
_cell_length_c   4.893
_cell_angle_alpha   76.861
_cell_angle_beta   76.861
_cell_angle_gamma   52.831
_symmetry_Int_Tables_number   1
_cell_volume   161.339
_cell_formula_units_Z   1
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  0.727  0.727  0.328  1.0
  Ca  Ca1  1  0.273  0.273  0.672  1.0
  W  W2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.772  0.228  0.000  1.0
  W  W4  1  0.228  0.772  0.000  1.0
  O  O5  1  0.410  0.410  0.912  1.0
  O  O6  1  0.590  0.590  0.088  1.0
  O  O7  1  0.875  0.875  0.903  1.0
  O  O8  1  0.125  0.125  0.097  1.0
  O  O9  1  0.343  0.876  0.607  1.0
  O  O10  1  0.876  0.343  0.607  1.0
  O  O11  1  0.124  0.657  0.393  1.0
  O  O12  1  0.657  0.124  0.393  1.0
[/CIF]
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