The compound described by BaWN3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing WN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one W(1), and one N(2) atom. In the third N site, N(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(1) atom. is represented by the CIF card [CIF]
data_BaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.757
_cell_length_b   7.645
_cell_length_c   10.278
_cell_angle_alpha   48.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.153
_cell_formula_units_Z   4
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  0.262  0.710  0.630  1.0
  Ba  Ba1  1  0.738  0.290  0.370  1.0
  Ba  Ba2  1  0.762  0.290  0.870  1.0
  Ba  Ba3  1  0.238  0.710  0.130  1.0
  W  W4  1  0.236  0.158  0.638  1.0
  W  W5  1  0.264  0.158  0.138  1.0
  W  W6  1  0.736  0.842  0.862  1.0
  W  W7  1  0.764  0.842  0.362  1.0
  N  N8  1  0.442  0.876  0.293  1.0
  N  N9  1  0.558  0.124  0.707  1.0
  N  N10  1  0.935  0.582  0.429  1.0
  N  N11  1  0.565  0.582  0.929  1.0
  N  N12  1  0.942  0.124  0.207  1.0
  N  N13  1  0.247  0.206  0.944  1.0
  N  N14  1  0.435  0.418  0.071  1.0
  N  N15  1  0.753  0.794  0.056  1.0
  N  N16  1  0.253  0.206  0.444  1.0
  N  N17  1  0.065  0.418  0.571  1.0
  N  N18  1  0.747  0.794  0.556  1.0
  N  N19  1  0.058  0.876  0.793  1.0
[/CIF]
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The compound described by BaWN3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing WN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one W(1), and one N(2) atom. In the third N site, N(3) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one W(1) atom. is represented by the CIF card [CIF]
data_BaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.757
_cell_length_b   7.645
_cell_length_c   10.278
_cell_angle_alpha   48.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.153
_cell_formula_units_Z   4
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  0.262  0.710  0.630  1.0
  Ba  Ba1  1  0.738  0.290  0.370  1.0
  Ba  Ba2  1  0.762  0.290  0.870  1.0
  Ba  Ba3  1  0.238  0.710  0.130  1.0
  W  W4  1  0.236  0.158  0.638  1.0
  W  W5  1  0.264  0.158  0.138  1.0
  W  W6  1  0.736  0.842  0.862  1.0
  W  W7  1  0.764  0.842  0.362  1.0
  N  N8  1  0.442  0.876  0.293  1.0
  N  N9  1  0.558  0.124  0.707  1.0
  N  N10  1  0.935  0.582  0.429  1.0
  N  N11  1  0.565  0.582  0.929  1.0
  N  N12  1  0.942  0.124  0.207  1.0
  N  N13  1  0.247  0.206  0.944  1.0
  N  N14  1  0.435  0.418  0.071  1.0
  N  N15  1  0.753  0.794  0.056  1.0
  N  N16  1  0.253  0.206  0.444  1.0
  N  N17  1  0.065  0.418  0.571  1.0
  N  N18  1  0.747  0.794  0.556  1.0
  N  N19  1  0.058  0.876  0.793  1.0
[/CIF]
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