The crystal structure described by Na3W2Ag3(OF)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. In the second Na site, Na(2) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 36°. W(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted WO3F3 octahedra that share corners with three equivalent Na(2)F6 octahedra and corners with three equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent O(1) atoms to form AgO6 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second Ag site, Ag(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one W(1), one Ag(1), and one Ag(2) atom. F(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing FNa3W trigonal pyramids. is represented by the CIF card [CIF]
data_Na3Ag3W2(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.305
_cell_length_b   10.305
_cell_length_c   10.305
_cell_angle_alpha   32.908
_cell_angle_beta   32.908
_cell_angle_gamma   32.908
_symmetry_Int_Tables_number   1
_cell_volume   287.427
_cell_formula_units_Z   1
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
  Na  Na0  1  0.134  0.134  0.134  1.0
  Na  Na1  1  0.866  0.866  0.866  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.370  0.370  0.370  1.0
  Ag  Ag5  1  0.630  0.630  0.630  1.0
  W  W6  1  0.254  0.254  0.254  1.0
  W  W7  1  0.746  0.746  0.746  1.0
  O  O8  1  0.577  0.249  0.021  1.0
  O  O9  1  0.249  0.021  0.577  1.0
  O  O10  1  0.021  0.577  0.249  1.0
  O  O11  1  0.423  0.751  0.979  1.0
  O  O12  1  0.751  0.979  0.423  1.0
  O  O13  1  0.979  0.423  0.751  1.0
  F  F14  1  0.071  0.762  0.554  1.0
  F  F15  1  0.762  0.554  0.071  1.0
  F  F16  1  0.554  0.071  0.762  1.0
  F  F17  1  0.929  0.238  0.446  1.0
  F  F18  1  0.238  0.446  0.929  1.0
  F  F19  1  0.446  0.929  0.238  1.0
[/CIF]
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The crystal structure described by Na3W2Ag3(OF)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. In the second Na site, Na(2) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 36°. W(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted WO3F3 octahedra that share corners with three equivalent Na(2)F6 octahedra and corners with three equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent O(1) atoms to form AgO6 octahedra that share corners with six equivalent W(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second Ag site, Ag(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one W(1), one Ag(1), and one Ag(2) atom. F(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing FNa3W trigonal pyramids. is represented by the CIF card [CIF]
data_Na3Ag3W2(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.305
_cell_length_b   10.305
_cell_length_c   10.305
_cell_angle_alpha   32.908
_cell_angle_beta   32.908
_cell_angle_gamma   32.908
_symmetry_Int_Tables_number   1
_cell_volume   287.427
_cell_formula_units_Z   1
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
  Na  Na0  1  0.134  0.134  0.134  1.0
  Na  Na1  1  0.866  0.866  0.866  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
  Ag  Ag4  1  0.370  0.370  0.370  1.0
  Ag  Ag5  1  0.630  0.630  0.630  1.0
  W  W6  1  0.254  0.254  0.254  1.0
  W  W7  1  0.746  0.746  0.746  1.0
  O  O8  1  0.577  0.249  0.021  1.0
  O  O9  1  0.249  0.021  0.577  1.0
  O  O10  1  0.021  0.577  0.249  1.0
  O  O11  1  0.423  0.751  0.979  1.0
  O  O12  1  0.751  0.979  0.423  1.0
  O  O13  1  0.979  0.423  0.751  1.0
  F  F14  1  0.071  0.762  0.554  1.0
  F  F15  1  0.762  0.554  0.071  1.0
  F  F16  1  0.554  0.071  0.762  1.0
  F  F17  1  0.929  0.238  0.446  1.0
  F  F18  1  0.238  0.446  0.929  1.0
  F  F19  1  0.446  0.929  0.238  1.0
[/CIF]
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