The structure described by Na3WN3 crystallizes in the monoclinic Cc space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one N(2), one N(6), and two equivalent N(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(3), and two equivalent N(5) atoms. In the fourth Na site, Na(4) is bonded to two equivalent N(5) and two equivalent N(6) atoms to form distorted NaN4 tetrahedra that share corners with two equivalent W(1)N4 tetrahedra, corners with two equivalent W(2)N4 tetrahedra, and edges with two equivalent Na(4)N4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one N(2), one N(4), one N(5), and one N(6) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one N(1), one N(3), one N(4), and one N(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form WN4 tetrahedra that share corners with two equivalent Na(4)N4 tetrahedra and corners with two equivalent W(2)N4 tetrahedra. In the second W site, W(2) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form WN4 tetrahedra that share corners with two equivalent Na(4)N4 tetrahedra and corners with two equivalent W(1)N4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Na(6), two equivalent Na(2), one W(1), and one W(2) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one W(1), and one W(2) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Na(6), two equivalent Na(2), two equivalent Na(3), and one W(1) atom. In the fourth N site, N(4) is bonded to one Na(2), one Na(5), one Na(6), two equivalent Na(1), and one W(2) atom to form a mixture of edge and corner-sharing NNa5W octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Na(5), two equivalent Na(3), two equivalent Na(4), and one W(2) atom. In the sixth N site, N(6) is bonded to one Na(1), one Na(5), one Na(6), two equivalent Na(4), and one W(1) atom to form a mixture of edge and corner-sharing NNa5W octahedra. The corner-sharing octahedral tilt angles range from 49-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3WN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.769
_cell_length_b   8.769
_cell_length_c   6.365
_cell_angle_alpha   69.161
_cell_angle_beta   69.161
_cell_angle_gamma   77.452
_symmetry_Int_Tables_number   1
_cell_volume   425.225
_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
  Na  Na0  1  0.080  0.150  0.394  1.0
  Na  Na1  1  0.150  0.080  0.894  1.0
  Na  Na2  1  0.884  0.842  0.867  1.0
  Na  Na3  1  0.842  0.884  0.367  1.0
  Na  Na4  1  0.641  0.606  0.690  1.0
  Na  Na5  1  0.606  0.641  0.190  1.0
  Na  Na6  1  0.396  0.367  0.925  1.0
  Na  Na7  1  0.367  0.396  0.425  1.0
  Na  Na8  1  0.704  0.281  0.468  1.0
  Na  Na9  1  0.281  0.704  0.968  1.0
  Na  Na10  1  0.469  0.995  0.470  1.0
  Na  Na11  1  0.995  0.469  0.970  1.0
  W  W12  1  0.510  0.992  0.924  1.0
  W  W13  1  0.992  0.510  0.424  1.0
  W  W14  1  0.236  0.761  0.493  1.0
  W  W15  1  0.761  0.236  0.993  1.0
  N  N16  1  0.650  0.048  0.056  1.0
  N  N17  1  0.048  0.650  0.556  1.0
  N  N18  1  0.882  0.324  0.665  1.0
  N  N19  1  0.324  0.882  0.165  1.0
  N  N20  1  0.634  0.854  0.756  1.0
  N  N21  1  0.854  0.634  0.256  1.0
  N  N22  1  0.170  0.903  0.667  1.0
  N  N23  1  0.903  0.170  0.167  1.0
  N  N24  1  0.399  0.612  0.588  1.0
  N  N25  1  0.612  0.399  0.088  1.0
  N  N26  1  0.428  0.170  0.725  1.0
  N  N27  1  0.170  0.428  0.225  1.0
[/CIF]
.
The structure described by Na3WN3 crystallizes in the monoclinic Cc space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one N(2), one N(6), and two equivalent N(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one N(2), two equivalent N(3), and two equivalent N(5) atoms. In the fourth Na site, Na(4) is bonded to two equivalent N(5) and two equivalent N(6) atoms to form distorted NaN4 tetrahedra that share corners with two equivalent W(1)N4 tetrahedra, corners with two equivalent W(2)N4 tetrahedra, and edges with two equivalent Na(4)N4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 4-coordinate geometry to one N(2), one N(4), one N(5), and one N(6) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one N(1), one N(3), one N(4), and one N(6) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(2), one N(3), and one N(6) atom to form WN4 tetrahedra that share corners with two equivalent Na(4)N4 tetrahedra and corners with two equivalent W(2)N4 tetrahedra. In the second W site, W(2) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form WN4 tetrahedra that share corners with two equivalent Na(4)N4 tetrahedra and corners with two equivalent W(1)N4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Na(6), two equivalent Na(2), one W(1), and one W(2) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one W(1), and one W(2) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Na(6), two equivalent Na(2), two equivalent Na(3), and one W(1) atom. In the fourth N site, N(4) is bonded to one Na(2), one Na(5), one Na(6), two equivalent Na(1), and one W(2) atom to form a mixture of edge and corner-sharing NNa5W octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Na(5), two equivalent Na(3), two equivalent Na(4), and one W(2) atom. In the sixth N site, N(6) is bonded to one Na(1), one Na(5), one Na(6), two equivalent Na(4), and one W(1) atom to form a mixture of edge and corner-sharing NNa5W octahedra. The corner-sharing octahedral tilt angles range from 49-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3WN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.769
_cell_length_b   8.769
_cell_length_c   6.365
_cell_angle_alpha   69.161
_cell_angle_beta   69.161
_cell_angle_gamma   77.452
_symmetry_Int_Tables_number   1
_cell_volume   425.225
_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
  Na  Na0  1  0.080  0.150  0.394  1.0
  Na  Na1  1  0.150  0.080  0.894  1.0
  Na  Na2  1  0.884  0.842  0.867  1.0
  Na  Na3  1  0.842  0.884  0.367  1.0
  Na  Na4  1  0.641  0.606  0.690  1.0
  Na  Na5  1  0.606  0.641  0.190  1.0
  Na  Na6  1  0.396  0.367  0.925  1.0
  Na  Na7  1  0.367  0.396  0.425  1.0
  Na  Na8  1  0.704  0.281  0.468  1.0
  Na  Na9  1  0.281  0.704  0.968  1.0
  Na  Na10  1  0.469  0.995  0.470  1.0
  Na  Na11  1  0.995  0.469  0.970  1.0
  W  W12  1  0.510  0.992  0.924  1.0
  W  W13  1  0.992  0.510  0.424  1.0
  W  W14  1  0.236  0.761  0.493  1.0
  W  W15  1  0.761  0.236  0.993  1.0
  N  N16  1  0.650  0.048  0.056  1.0
  N  N17  1  0.048  0.650  0.556  1.0
  N  N18  1  0.882  0.324  0.665  1.0
  N  N19  1  0.324  0.882  0.165  1.0
  N  N20  1  0.634  0.854  0.756  1.0
  N  N21  1  0.854  0.634  0.256  1.0
  N  N22  1  0.170  0.903  0.667  1.0
  N  N23  1  0.903  0.170  0.167  1.0
  N  N24  1  0.399  0.612  0.588  1.0
  N  N25  1  0.612  0.399  0.088  1.0
  N  N26  1  0.428  0.170  0.725  1.0
  N  N27  1  0.170  0.428  0.225  1.0
[/CIF]
.