The structure described by Ca2W2O5 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. W(1) is bonded in a 5-coordinate 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 to four equivalent Ca(1) and two equivalent W(1) atoms to form a mixture of edge, corner, and face-sharing OCa4W2 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent W(1) atoms to form a mixture of distorted edge, corner, and face-sharing OCa4W2 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2W2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.977
_cell_length_b   5.492
_cell_length_c   10.985
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.914
_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  0.500  0.653  0.347  1.0
  Ca  Ca1  1  0.500  0.347  0.653  1.0
  Ca  Ca2  1  0.500  0.153  0.153  1.0
  Ca  Ca3  1  0.500  0.847  0.847  1.0
  W  W4  1  0.000  0.669  0.097  1.0
  W  W5  1  0.000  0.331  0.903  1.0
  W  W6  1  0.000  0.831  0.597  1.0
  W  W7  1  0.000  0.169  0.403  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.599  0.779  1.0
  O  O10  1  0.000  0.099  0.721  1.0
  O  O11  1  0.000  0.901  0.279  1.0
  O  O12  1  0.500  0.778  0.617  1.0
  O  O13  1  0.500  0.222  0.383  1.0
  O  O14  1  0.000  0.401  0.221  1.0
  O  O15  1  0.500  0.722  0.117  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.278  0.883  1.0
[/CIF]
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The structure described by Ca2W2O5 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(3), and four equivalent O(2) atoms. W(1) is bonded in a 5-coordinate 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 to four equivalent Ca(1) and two equivalent W(1) atoms to form a mixture of edge, corner, and face-sharing OCa4W2 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent W(1) atoms to form a mixture of distorted edge, corner, and face-sharing OCa4W2 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ca(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2W2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.977
_cell_length_b   5.492
_cell_length_c   10.985
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.914
_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  0.500  0.653  0.347  1.0
  Ca  Ca1  1  0.500  0.347  0.653  1.0
  Ca  Ca2  1  0.500  0.153  0.153  1.0
  Ca  Ca3  1  0.500  0.847  0.847  1.0
  W  W4  1  0.000  0.669  0.097  1.0
  W  W5  1  0.000  0.331  0.903  1.0
  W  W6  1  0.000  0.831  0.597  1.0
  W  W7  1  0.000  0.169  0.403  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.599  0.779  1.0
  O  O10  1  0.000  0.099  0.721  1.0
  O  O11  1  0.000  0.901  0.279  1.0
  O  O12  1  0.500  0.778  0.617  1.0
  O  O13  1  0.500  0.222  0.383  1.0
  O  O14  1  0.000  0.401  0.221  1.0
  O  O15  1  0.500  0.722  0.117  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.278  0.883  1.0
[/CIF]
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