The material described by Na3WO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form NaNO3 tetrahedra that share corners with four equivalent Na(1)NO3 tetrahedra, corners with four equivalent Na(2)NO3 tetrahedra, and corners with four equivalent W(1)NO3 tetrahedra. In the second Na site, Na(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form NaNO3 tetrahedra that share corners with four equivalent W(1)NO3 tetrahedra and corners with eight equivalent Na(1)NO3 tetrahedra. W(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form WNO3 tetrahedra that share corners with four equivalent Na(2)NO3 tetrahedra and corners with eight equivalent Na(1)NO3 tetrahedra. N(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form NNa3W tetrahedra that share corners with four equivalent O(1)Na3W tetrahedra and corners with eight equivalent O(2)Na3W tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form distorted ONa3W tetrahedra that share corners with four equivalent N(1)Na3W tetrahedra and corners with eight equivalent O(2)Na3W tetrahedra. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form ONa3W tetrahedra that share corners with four equivalent N(1)Na3W tetrahedra, corners with four equivalent O(1)Na3W tetrahedra, and corners with four equivalent O(2)Na3W tetrahedra. is represented by the CIF card [CIF]
data_Na3WNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   6.368
_cell_length_c   7.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.975
_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
  Na  Na0  1  0.521  0.330  0.746  1.0
  Na  Na1  1  0.521  0.330  0.254  1.0
  Na  Na2  1  0.021  0.670  0.754  1.0
  Na  Na3  1  0.021  0.670  0.246  1.0
  Na  Na4  1  0.518  0.843  0.000  1.0
  Na  Na5  1  0.018  0.157  0.500  1.0
  W  W6  1  0.503  0.828  0.500  1.0
  W  W7  1  0.003  0.172  0.000  1.0
  N  N8  1  0.689  0.176  0.000  1.0
  N  N9  1  0.189  0.824  0.500  1.0
  O  O10  1  0.602  0.109  0.500  1.0
  O  O11  1  0.102  0.891  0.000  1.0
  O  O12  1  0.603  0.688  0.709  1.0
  O  O13  1  0.603  0.688  0.291  1.0
  O  O14  1  0.103  0.312  0.791  1.0
  O  O15  1  0.103  0.312  0.209  1.0
[/CIF]
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The material described by Na3WO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form NaNO3 tetrahedra that share corners with four equivalent Na(1)NO3 tetrahedra, corners with four equivalent Na(2)NO3 tetrahedra, and corners with four equivalent W(1)NO3 tetrahedra. In the second Na site, Na(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form NaNO3 tetrahedra that share corners with four equivalent W(1)NO3 tetrahedra and corners with eight equivalent Na(1)NO3 tetrahedra. W(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form WNO3 tetrahedra that share corners with four equivalent Na(2)NO3 tetrahedra and corners with eight equivalent Na(1)NO3 tetrahedra. N(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form NNa3W tetrahedra that share corners with four equivalent O(1)Na3W tetrahedra and corners with eight equivalent O(2)Na3W tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form distorted ONa3W tetrahedra that share corners with four equivalent N(1)Na3W tetrahedra and corners with eight equivalent O(2)Na3W tetrahedra. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), and one W(1) atom to form ONa3W tetrahedra that share corners with four equivalent N(1)Na3W tetrahedra, corners with four equivalent O(1)Na3W tetrahedra, and corners with four equivalent O(2)Na3W tetrahedra. is represented by the CIF card [CIF]
data_Na3WNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   6.368
_cell_length_c   7.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.975
_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
  Na  Na0  1  0.521  0.330  0.746  1.0
  Na  Na1  1  0.521  0.330  0.254  1.0
  Na  Na2  1  0.021  0.670  0.754  1.0
  Na  Na3  1  0.021  0.670  0.246  1.0
  Na  Na4  1  0.518  0.843  0.000  1.0
  Na  Na5  1  0.018  0.157  0.500  1.0
  W  W6  1  0.503  0.828  0.500  1.0
  W  W7  1  0.003  0.172  0.000  1.0
  N  N8  1  0.689  0.176  0.000  1.0
  N  N9  1  0.189  0.824  0.500  1.0
  O  O10  1  0.602  0.109  0.500  1.0
  O  O11  1  0.102  0.891  0.000  1.0
  O  O12  1  0.603  0.688  0.709  1.0
  O  O13  1  0.603  0.688  0.291  1.0
  O  O14  1  0.103  0.312  0.791  1.0
  O  O15  1  0.103  0.312  0.209  1.0
[/CIF]
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