The material described by BaWN3 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to one N(3), three equivalent N(1), and four equivalent N(2) atoms. W(1) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1) and one W(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one W(1), and one N(2) atom. In the third N site, N(3) is bonded to one Ba(1) and three equivalent W(1) atoms to form a mixture of corner and edge-sharing NBaW3 tetrahedra. is represented by the CIF file [CIF]
data_BaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   7.230
_cell_length_c   6.574
_cell_angle_alpha   75.422
_cell_angle_beta   75.422
_cell_angle_gamma   31.578
_symmetry_Int_Tables_number   1
_cell_volume   173.678
_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
  Ba  Ba0  1  0.394  0.394  0.314  1.0
  Ba  Ba1  1  0.606  0.606  0.686  1.0
  W  W2  1  0.160  0.160  0.121  1.0
  W  W3  1  0.840  0.840  0.879  1.0
  N  N4  1  0.854  0.854  0.598  1.0
  N  N5  1  0.146  0.146  0.402  1.0
  N  N6  1  0.967  0.967  0.945  1.0
  N  N7  1  0.691  0.691  0.023  1.0
  N  N8  1  0.309  0.309  0.977  1.0
  N  N9  1  0.033  0.033  0.055  1.0
[/CIF]
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The material described by BaWN3 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to one N(3), three equivalent N(1), and four equivalent N(2) atoms. W(1) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1) and one W(1) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one W(1), and one N(2) atom. In the third N site, N(3) is bonded to one Ba(1) and three equivalent W(1) atoms to form a mixture of corner and edge-sharing NBaW3 tetrahedra. is represented by the CIF file [CIF]
data_BaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   7.230
_cell_length_c   6.574
_cell_angle_alpha   75.422
_cell_angle_beta   75.422
_cell_angle_gamma   31.578
_symmetry_Int_Tables_number   1
_cell_volume   173.678
_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
  Ba  Ba0  1  0.394  0.394  0.314  1.0
  Ba  Ba1  1  0.606  0.606  0.686  1.0
  W  W2  1  0.160  0.160  0.121  1.0
  W  W3  1  0.840  0.840  0.879  1.0
  N  N4  1  0.854  0.854  0.598  1.0
  N  N5  1  0.146  0.146  0.402  1.0
  N  N6  1  0.967  0.967  0.945  1.0
  N  N7  1  0.691  0.691  0.023  1.0
  N  N8  1  0.309  0.309  0.977  1.0
  N  N9  1  0.033  0.033  0.055  1.0
[/CIF]
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