The structure described by PWO5 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second W site, W(2) is bonded to two equivalent 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 octahedral tilt angles are 31°. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 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(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the CIF card [CIF]
data_PWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.408
_cell_length_c   7.418
_cell_angle_alpha   107.101
_cell_angle_beta   107.568
_cell_angle_gamma   97.952
_symmetry_Int_Tables_number   1
_cell_volume   190.684
_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
  P  P0  1  0.331  0.150  0.752  1.0
  P  P1  1  0.669  0.850  0.248  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.147  0.188  0.879  1.0
  O  O5  1  0.287  0.850  0.636  1.0
  O  O6  1  0.926  0.552  0.742  1.0
  O  O7  1  0.270  0.298  0.600  1.0
  O  O8  1  0.730  0.702  0.400  1.0
  O  O9  1  0.626  0.256  0.894  1.0
  O  O10  1  0.374  0.744  0.106  1.0
  O  O11  1  0.074  0.448  0.258  1.0
  O  O12  1  0.713  0.150  0.364  1.0
  O  O13  1  0.853  0.812  0.121  1.0
[/CIF]
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The structure described by PWO5 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second W site, W(2) is bonded to two equivalent 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 octahedral tilt angles are 31°. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 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(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. is represented by the CIF card [CIF]
data_PWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.408
_cell_length_c   7.418
_cell_angle_alpha   107.101
_cell_angle_beta   107.568
_cell_angle_gamma   97.952
_symmetry_Int_Tables_number   1
_cell_volume   190.684
_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
  P  P0  1  0.331  0.150  0.752  1.0
  P  P1  1  0.669  0.850  0.248  1.0
  W  W2  1  0.000  0.500  0.000  1.0
  W  W3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.147  0.188  0.879  1.0
  O  O5  1  0.287  0.850  0.636  1.0
  O  O6  1  0.926  0.552  0.742  1.0
  O  O7  1  0.270  0.298  0.600  1.0
  O  O8  1  0.730  0.702  0.400  1.0
  O  O9  1  0.626  0.256  0.894  1.0
  O  O10  1  0.374  0.744  0.106  1.0
  O  O11  1  0.074  0.448  0.258  1.0
  O  O12  1  0.713  0.150  0.364  1.0
  O  O13  1  0.853  0.812  0.121  1.0
[/CIF]
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