The material described by CsN3 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one N(2) atom. is represented by the CIF file [CIF]
data_CsN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.159
_cell_length_b   6.159
_cell_length_c   6.159
_cell_angle_alpha   98.094
_cell_angle_beta   115.442
_cell_angle_gamma   115.442
_symmetry_Int_Tables_number   1
_cell_volume   174.684
_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
  Cs  Cs0  1  0.000  0.250  0.250  1.0
  Cs  Cs1  1  0.000  0.750  0.750  1.0
  N  N2  1  0.754  0.627  0.127  1.0
  N  N3  1  0.500  0.127  0.373  1.0
  N  N4  1  0.500  0.873  0.627  1.0
  N  N5  1  0.246  0.373  0.873  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.500  0.000  0.500  1.0
[/CIF]
.
The material described by CsN3 crystallizes in the tetragonal I4/mcm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a linear geometry to two equivalent N(1) atoms. In the second N site, N(1) is bonded in a 5-coordinate geometry to four equivalent Cs(1) and one N(2) atom. is represented by the CIF file [CIF]
data_CsN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.159
_cell_length_b   6.159
_cell_length_c   6.159
_cell_angle_alpha   98.094
_cell_angle_beta   115.442
_cell_angle_gamma   115.442
_symmetry_Int_Tables_number   1
_cell_volume   174.684
_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
  Cs  Cs0  1  0.000  0.250  0.250  1.0
  Cs  Cs1  1  0.000  0.750  0.750  1.0
  N  N2  1  0.754  0.627  0.127  1.0
  N  N3  1  0.500  0.127  0.373  1.0
  N  N4  1  0.500  0.873  0.627  1.0
  N  N5  1  0.246  0.373  0.873  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.500  0.000  0.500  1.0
[/CIF]
.