The material structure described by PWO5 crystallizes in the orthorhombic Pnma space group. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_PWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   6.664
_cell_length_c   11.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.133
_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
  P  P0  1  0.750  0.972  0.156  1.0
  P  P1  1  0.250  0.028  0.844  1.0
  P  P2  1  0.750  0.528  0.656  1.0
  P  P3  1  0.250  0.472  0.344  1.0
  W  W4  1  0.750  0.328  0.938  1.0
  W  W5  1  0.250  0.672  0.062  1.0
  W  W6  1  0.750  0.172  0.438  1.0
  W  W7  1  0.250  0.828  0.562  1.0
  O  O8  1  0.750  0.329  0.589  1.0
  O  O9  1  0.250  0.671  0.411  1.0
  O  O10  1  0.750  0.171  0.089  1.0
  O  O11  1  0.250  0.829  0.911  1.0
  O  O12  1  0.750  0.009  0.288  1.0
  O  O13  1  0.250  0.991  0.712  1.0
  O  O14  1  0.750  0.491  0.788  1.0
  O  O15  1  0.250  0.509  0.212  1.0
  O  O16  1  0.483  0.349  0.373  1.0
  O  O17  1  0.983  0.651  0.627  1.0
  O  O18  1  0.517  0.651  0.627  1.0
  O  O19  1  0.017  0.349  0.373  1.0
  O  O20  1  0.517  0.849  0.127  1.0
  O  O21  1  0.017  0.151  0.873  1.0
  O  O22  1  0.483  0.151  0.873  1.0
  O  O23  1  0.983  0.849  0.127  1.0
  O  O24  1  0.500  0.000  0.500  1.0
  O  O25  1  0.000  0.000  0.500  1.0
  O  O26  1  0.500  0.500  0.000  1.0
  O  O27  1  0.000  0.500  0.000  1.0
[/CIF]
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The material structure described by PWO5 crystallizes in the orthorhombic Pnma space group. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_PWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   6.664
_cell_length_c   11.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.133
_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
  P  P0  1  0.750  0.972  0.156  1.0
  P  P1  1  0.250  0.028  0.844  1.0
  P  P2  1  0.750  0.528  0.656  1.0
  P  P3  1  0.250  0.472  0.344  1.0
  W  W4  1  0.750  0.328  0.938  1.0
  W  W5  1  0.250  0.672  0.062  1.0
  W  W6  1  0.750  0.172  0.438  1.0
  W  W7  1  0.250  0.828  0.562  1.0
  O  O8  1  0.750  0.329  0.589  1.0
  O  O9  1  0.250  0.671  0.411  1.0
  O  O10  1  0.750  0.171  0.089  1.0
  O  O11  1  0.250  0.829  0.911  1.0
  O  O12  1  0.750  0.009  0.288  1.0
  O  O13  1  0.250  0.991  0.712  1.0
  O  O14  1  0.750  0.491  0.788  1.0
  O  O15  1  0.250  0.509  0.212  1.0
  O  O16  1  0.483  0.349  0.373  1.0
  O  O17  1  0.983  0.651  0.627  1.0
  O  O18  1  0.517  0.651  0.627  1.0
  O  O19  1  0.017  0.349  0.373  1.0
  O  O20  1  0.517  0.849  0.127  1.0
  O  O21  1  0.017  0.151  0.873  1.0
  O  O22  1  0.483  0.151  0.873  1.0
  O  O23  1  0.983  0.849  0.127  1.0
  O  O24  1  0.500  0.000  0.500  1.0
  O  O25  1  0.000  0.000  0.500  1.0
  O  O26  1  0.500  0.500  0.000  1.0
  O  O27  1  0.000  0.500  0.000  1.0
[/CIF]
.