The structure described by P3(WO6)2 crystallizes in the trigonal R-3 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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 26-35°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P3(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.096
_cell_length_b   9.096
_cell_length_c   9.096
_cell_angle_alpha   57.177
_cell_angle_beta   57.177
_cell_angle_gamma   57.177
_symmetry_Int_Tables_number   1
_cell_volume   497.592
_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  0.248  0.535  0.967  1.0
  P  P1  1  0.967  0.248  0.535  1.0
  P  P2  1  0.535  0.967  0.248  1.0
  P  P3  1  0.465  0.033  0.752  1.0
  P  P4  1  0.033  0.752  0.465  1.0
  P  P5  1  0.752  0.465  0.033  1.0
  W  W6  1  0.856  0.856  0.856  1.0
  W  W7  1  0.646  0.646  0.646  1.0
  W  W8  1  0.354  0.354  0.354  1.0
  W  W9  1  0.144  0.144  0.144  1.0
  O  O10  1  0.766  0.485  0.848  1.0
  O  O11  1  0.485  0.848  0.766  1.0
  O  O12  1  0.848  0.766  0.485  1.0
  O  O13  1  0.439  0.530  0.813  1.0
  O  O14  1  0.091  0.720  0.909  1.0
  O  O15  1  0.206  0.374  0.995  1.0
  O  O16  1  0.909  0.091  0.720  1.0
  O  O17  1  0.813  0.439  0.530  1.0
  O  O18  1  0.530  0.813  0.439  1.0
  O  O19  1  0.626  0.005  0.794  1.0
  O  O20  1  0.280  0.091  0.909  1.0
  O  O21  1  0.005  0.794  0.626  1.0
  O  O22  1  0.995  0.206  0.374  1.0
  O  O23  1  0.720  0.909  0.091  1.0
  O  O24  1  0.374  0.995  0.206  1.0
  O  O25  1  0.470  0.187  0.561  1.0
  O  O26  1  0.187  0.561  0.470  1.0
  O  O27  1  0.091  0.909  0.280  1.0
  O  O28  1  0.794  0.626  0.005  1.0
  O  O29  1  0.909  0.280  0.091  1.0
  O  O30  1  0.561  0.470  0.187  1.0
  O  O31  1  0.152  0.234  0.515  1.0
  O  O32  1  0.515  0.152  0.234  1.0
  O  O33  1  0.234  0.515  0.152  1.0
[/CIF]
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The structure described by P3(WO6)2 crystallizes in the trigonal R-3 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) 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 26-35°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one W(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P3(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.096
_cell_length_b   9.096
_cell_length_c   9.096
_cell_angle_alpha   57.177
_cell_angle_beta   57.177
_cell_angle_gamma   57.177
_symmetry_Int_Tables_number   1
_cell_volume   497.592
_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  0.248  0.535  0.967  1.0
  P  P1  1  0.967  0.248  0.535  1.0
  P  P2  1  0.535  0.967  0.248  1.0
  P  P3  1  0.465  0.033  0.752  1.0
  P  P4  1  0.033  0.752  0.465  1.0
  P  P5  1  0.752  0.465  0.033  1.0
  W  W6  1  0.856  0.856  0.856  1.0
  W  W7  1  0.646  0.646  0.646  1.0
  W  W8  1  0.354  0.354  0.354  1.0
  W  W9  1  0.144  0.144  0.144  1.0
  O  O10  1  0.766  0.485  0.848  1.0
  O  O11  1  0.485  0.848  0.766  1.0
  O  O12  1  0.848  0.766  0.485  1.0
  O  O13  1  0.439  0.530  0.813  1.0
  O  O14  1  0.091  0.720  0.909  1.0
  O  O15  1  0.206  0.374  0.995  1.0
  O  O16  1  0.909  0.091  0.720  1.0
  O  O17  1  0.813  0.439  0.530  1.0
  O  O18  1  0.530  0.813  0.439  1.0
  O  O19  1  0.626  0.005  0.794  1.0
  O  O20  1  0.280  0.091  0.909  1.0
  O  O21  1  0.005  0.794  0.626  1.0
  O  O22  1  0.995  0.206  0.374  1.0
  O  O23  1  0.720  0.909  0.091  1.0
  O  O24  1  0.374  0.995  0.206  1.0
  O  O25  1  0.470  0.187  0.561  1.0
  O  O26  1  0.187  0.561  0.470  1.0
  O  O27  1  0.091  0.909  0.280  1.0
  O  O28  1  0.794  0.626  0.005  1.0
  O  O29  1  0.909  0.280  0.091  1.0
  O  O30  1  0.561  0.470  0.187  1.0
  O  O31  1  0.152  0.234  0.515  1.0
  O  O32  1  0.515  0.152  0.234  1.0
  O  O33  1  0.234  0.515  0.152  1.0
[/CIF]
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