The compound described by (WO3)6N2 crystallizes in the hexagonal P6_3/mcm space group. The structure consists of two ammonia atoms inside a WO3 framework. In the WO3 framework, W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.762
_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
  W  W0  1  0.482  0.000  0.750  1.0
  W  W1  1  0.518  0.000  0.250  1.0
  W  W2  1  0.000  0.482  0.750  1.0
  W  W3  1  0.000  0.518  0.250  1.0
  W  W4  1  0.518  0.518  0.750  1.0
  W  W5  1  0.482  0.482  0.250  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.216  0.426  0.750  1.0
  O  O9  1  0.784  0.574  0.250  1.0
  O  O10  1  0.574  0.790  0.750  1.0
  O  O11  1  0.426  0.216  0.750  1.0
  O  O12  1  0.426  0.210  0.250  1.0
  O  O13  1  0.574  0.784  0.250  1.0
  O  O14  1  0.210  0.784  0.750  1.0
  O  O15  1  0.790  0.574  0.750  1.0
  O  O16  1  0.790  0.216  0.250  1.0
  O  O17  1  0.210  0.426  0.250  1.0
  O  O18  1  0.784  0.210  0.750  1.0
  O  O19  1  0.216  0.790  0.250  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.500  0.000  0.000  1.0
  O  O23  1  0.000  0.500  0.000  1.0
  O  O24  1  0.500  0.500  0.500  1.0
  O  O25  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by (WO3)6N2 crystallizes in the hexagonal P6_3/mcm space group. The structure consists of two ammonia atoms inside a WO3 framework. In the WO3 framework, W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-29°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.522
_cell_length_b   7.522
_cell_length_c   7.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.762
_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
  W  W0  1  0.482  0.000  0.750  1.0
  W  W1  1  0.518  0.000  0.250  1.0
  W  W2  1  0.000  0.482  0.750  1.0
  W  W3  1  0.000  0.518  0.250  1.0
  W  W4  1  0.518  0.518  0.750  1.0
  W  W5  1  0.482  0.482  0.250  1.0
  N  N6  1  0.000  0.000  0.500  1.0
  N  N7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.216  0.426  0.750  1.0
  O  O9  1  0.784  0.574  0.250  1.0
  O  O10  1  0.574  0.790  0.750  1.0
  O  O11  1  0.426  0.216  0.750  1.0
  O  O12  1  0.426  0.210  0.250  1.0
  O  O13  1  0.574  0.784  0.250  1.0
  O  O14  1  0.210  0.784  0.750  1.0
  O  O15  1  0.790  0.574  0.750  1.0
  O  O16  1  0.790  0.216  0.250  1.0
  O  O17  1  0.210  0.426  0.250  1.0
  O  O18  1  0.784  0.210  0.750  1.0
  O  O19  1  0.216  0.790  0.250  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.500  0.000  0.000  1.0
  O  O23  1  0.000  0.500  0.000  1.0
  O  O24  1  0.500  0.500  0.500  1.0
  O  O25  1  0.500  0.500  0.000  1.0
[/CIF]
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