The material described by PWO5 crystallizes in the orthorhombic Pna2_1 space group. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) 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 7°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-26°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) 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   5.286
_cell_length_b   6.631
_cell_length_c   11.255
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   394.463
_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  0.514  0.529  0.344  1.0
  P  P1  1  0.014  0.471  0.656  1.0
  P  P2  1  0.514  0.971  0.844  1.0
  P  P3  1  0.014  0.029  0.156  1.0
  W  W4  1  0.507  0.332  0.060  1.0
  W  W5  1  0.007  0.668  0.940  1.0
  W  W6  1  0.507  0.168  0.561  1.0
  W  W7  1  0.007  0.832  0.439  1.0
  O  O8  1  0.243  0.010  0.503  1.0
  O  O9  1  0.743  0.990  0.497  1.0
  O  O10  1  0.243  0.490  0.003  1.0
  O  O11  1  0.743  0.510  0.997  1.0
  O  O12  1  0.289  0.661  0.377  1.0
  O  O13  1  0.789  0.339  0.623  1.0
  O  O14  1  0.289  0.839  0.877  1.0
  O  O15  1  0.789  0.161  0.123  1.0
  O  O16  1  0.501  0.482  0.213  1.0
  O  O17  1  0.001  0.518  0.787  1.0
  O  O18  1  0.501  0.018  0.713  1.0
  O  O19  1  0.001  0.982  0.287  1.0
  O  O20  1  0.006  0.831  0.086  1.0
  O  O21  1  0.506  0.169  0.914  1.0
  O  O22  1  0.006  0.669  0.586  1.0
  O  O23  1  0.506  0.331  0.414  1.0
  O  O24  1  0.262  0.136  0.130  1.0
  O  O25  1  0.762  0.864  0.870  1.0
  O  O26  1  0.262  0.364  0.631  1.0
  O  O27  1  0.762  0.636  0.369  1.0
[/CIF]
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The material described by PWO5 crystallizes in the orthorhombic Pna2_1 space group. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) 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 7°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-26°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) 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   5.286
_cell_length_b   6.631
_cell_length_c   11.255
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   394.463
_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  0.514  0.529  0.344  1.0
  P  P1  1  0.014  0.471  0.656  1.0
  P  P2  1  0.514  0.971  0.844  1.0
  P  P3  1  0.014  0.029  0.156  1.0
  W  W4  1  0.507  0.332  0.060  1.0
  W  W5  1  0.007  0.668  0.940  1.0
  W  W6  1  0.507  0.168  0.561  1.0
  W  W7  1  0.007  0.832  0.439  1.0
  O  O8  1  0.243  0.010  0.503  1.0
  O  O9  1  0.743  0.990  0.497  1.0
  O  O10  1  0.243  0.490  0.003  1.0
  O  O11  1  0.743  0.510  0.997  1.0
  O  O12  1  0.289  0.661  0.377  1.0
  O  O13  1  0.789  0.339  0.623  1.0
  O  O14  1  0.289  0.839  0.877  1.0
  O  O15  1  0.789  0.161  0.123  1.0
  O  O16  1  0.501  0.482  0.213  1.0
  O  O17  1  0.001  0.518  0.787  1.0
  O  O18  1  0.501  0.018  0.713  1.0
  O  O19  1  0.001  0.982  0.287  1.0
  O  O20  1  0.006  0.831  0.086  1.0
  O  O21  1  0.506  0.169  0.914  1.0
  O  O22  1  0.006  0.669  0.586  1.0
  O  O23  1  0.506  0.331  0.414  1.0
  O  O24  1  0.262  0.136  0.130  1.0
  O  O25  1  0.762  0.864  0.870  1.0
  O  O26  1  0.262  0.364  0.631  1.0
  O  O27  1  0.762  0.636  0.369  1.0
[/CIF]
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