The structure described by BaN2 crystallizes in the monoclinic Cc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. In the second N site, N(2) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form edge-sharing NBa4 trigonal pyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. is represented by the CIF card [CIF]
data_BaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.462
_cell_length_b   6.776
_cell_length_c   7.567
_cell_angle_alpha   108.340
_cell_angle_beta   111.853
_cell_angle_gamma   105.660
_symmetry_Int_Tables_number   1
_cell_volume   302.846
_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  0.165  0.718  0.329  1.0
  Ba  Ba1  1  0.336  0.389  0.671  1.0
  Ba  Ba2  1  0.545  0.349  0.227  1.0
  Ba  Ba3  1  0.818  0.122  0.773  1.0
  N  N4  1  0.742  0.474  0.994  1.0
  N  N5  1  0.248  0.481  0.006  1.0
  N  N6  1  0.535  0.673  0.546  1.0
  N  N7  1  0.489  0.128  0.454  1.0
  N  N8  1  0.140  0.258  0.223  1.0
  N  N9  1  0.417  0.035  0.777  1.0
  N  N10  1  0.950  0.437  0.530  1.0
  N  N11  1  0.920  0.907  0.470  1.0
[/CIF]
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The structure described by BaN2 crystallizes in the monoclinic Cc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. In the second N site, N(2) is bonded to two equivalent Ba(1) and two equivalent Ba(2) atoms to form edge-sharing NBa4 trigonal pyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(2) atoms. is represented by the CIF card [CIF]
data_BaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.462
_cell_length_b   6.776
_cell_length_c   7.567
_cell_angle_alpha   108.340
_cell_angle_beta   111.853
_cell_angle_gamma   105.660
_symmetry_Int_Tables_number   1
_cell_volume   302.846
_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  0.165  0.718  0.329  1.0
  Ba  Ba1  1  0.336  0.389  0.671  1.0
  Ba  Ba2  1  0.545  0.349  0.227  1.0
  Ba  Ba3  1  0.818  0.122  0.773  1.0
  N  N4  1  0.742  0.474  0.994  1.0
  N  N5  1  0.248  0.481  0.006  1.0
  N  N6  1  0.535  0.673  0.546  1.0
  N  N7  1  0.489  0.128  0.454  1.0
  N  N8  1  0.140  0.258  0.223  1.0
  N  N9  1  0.417  0.035  0.777  1.0
  N  N10  1  0.950  0.437  0.530  1.0
  N  N11  1  0.920  0.907  0.470  1.0
[/CIF]
.