The structure described by Ba4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(4), and two equivalent N(1) atoms. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Co(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), two equivalent Ba(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   6.801
_cell_length_c   9.703
_cell_angle_alpha   74.554
_cell_angle_beta   67.913
_cell_angle_gamma   68.433
_symmetry_Int_Tables_number   1
_cell_volume   412.422
_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  0.811  0.607  0.157  1.0
  Ba  Ba1  1  0.189  0.393  0.843  1.0
  Ba  Ba2  1  0.679  0.173  0.031  1.0
  Ba  Ba3  1  0.321  0.827  0.969  1.0
  Ba  Ba4  1  0.773  0.436  0.650  1.0
  Ba  Ba5  1  0.227  0.564  0.350  1.0
  Ba  Ba6  1  0.244  0.940  0.550  1.0
  Ba  Ba7  1  0.756  0.060  0.450  1.0
  Co  Co8  1  0.817  0.816  0.786  1.0
  Co  Co9  1  0.183  0.184  0.214  1.0
  N  N10  1  0.975  0.728  0.602  1.0
  N  N11  1  0.025  0.272  0.398  1.0
  N  N12  1  0.991  0.846  0.863  1.0
  N  N13  1  0.009  0.154  0.137  1.0
  N  N14  1  0.743  0.580  0.901  1.0
  N  N15  1  0.257  0.420  0.099  1.0
  N  N16  1  0.390  0.949  0.232  1.0
  N  N17  1  0.610  0.051  0.768  1.0
[/CIF]
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The structure described by Ba4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(4), and two equivalent N(1) atoms. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Co(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), two equivalent Ba(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   6.801
_cell_length_c   9.703
_cell_angle_alpha   74.554
_cell_angle_beta   67.913
_cell_angle_gamma   68.433
_symmetry_Int_Tables_number   1
_cell_volume   412.422
_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  0.811  0.607  0.157  1.0
  Ba  Ba1  1  0.189  0.393  0.843  1.0
  Ba  Ba2  1  0.679  0.173  0.031  1.0
  Ba  Ba3  1  0.321  0.827  0.969  1.0
  Ba  Ba4  1  0.773  0.436  0.650  1.0
  Ba  Ba5  1  0.227  0.564  0.350  1.0
  Ba  Ba6  1  0.244  0.940  0.550  1.0
  Ba  Ba7  1  0.756  0.060  0.450  1.0
  Co  Co8  1  0.817  0.816  0.786  1.0
  Co  Co9  1  0.183  0.184  0.214  1.0
  N  N10  1  0.975  0.728  0.602  1.0
  N  N11  1  0.025  0.272  0.398  1.0
  N  N12  1  0.991  0.846  0.863  1.0
  N  N13  1  0.009  0.154  0.137  1.0
  N  N14  1  0.743  0.580  0.901  1.0
  N  N15  1  0.257  0.420  0.099  1.0
  N  N16  1  0.390  0.949  0.232  1.0
  N  N17  1  0.610  0.051  0.768  1.0
[/CIF]
.