The material described by Cr2Co3N4 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing CrN4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Co(2), and two equivalent Co(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Cr2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   7.124
_cell_length_c   5.447
_cell_angle_alpha   90.000
_cell_angle_beta   89.458
_cell_angle_gamma   129.951
_symmetry_Int_Tables_number   1
_cell_volume   165.012
_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
  Cr  Cr0  1  0.632  0.188  0.651  1.0
  Cr  Cr1  1  0.368  0.556  0.849  1.0
  Cr  Cr2  1  0.368  0.812  0.349  1.0
  Cr  Cr3  1  0.632  0.444  0.151  1.0
  Co  Co4  1  0.240  0.014  0.012  1.0
  Co  Co5  1  0.760  0.773  0.488  1.0
  Co  Co6  1  0.760  0.986  0.988  1.0
  Co  Co7  1  0.240  0.227  0.512  1.0
  Co  Co8  1  0.000  0.658  0.750  1.0
  Co  Co9  1  0.000  0.342  0.250  1.0
  N  N10  1  0.210  0.937  0.526  1.0
  N  N11  1  0.790  0.727  0.974  1.0
  N  N12  1  0.790  0.063  0.474  1.0
  N  N13  1  0.210  0.273  0.026  1.0
  N  N14  1  0.693  0.242  0.992  1.0
  N  N15  1  0.307  0.549  0.508  1.0
  N  N16  1  0.307  0.758  0.008  1.0
  N  N17  1  0.693  0.451  0.492  1.0
[/CIF]
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The material described by Cr2Co3N4 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing CrN4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Co(2), and two equivalent Co(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Cr2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   7.124
_cell_length_c   5.447
_cell_angle_alpha   90.000
_cell_angle_beta   89.458
_cell_angle_gamma   129.951
_symmetry_Int_Tables_number   1
_cell_volume   165.012
_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
  Cr  Cr0  1  0.632  0.188  0.651  1.0
  Cr  Cr1  1  0.368  0.556  0.849  1.0
  Cr  Cr2  1  0.368  0.812  0.349  1.0
  Cr  Cr3  1  0.632  0.444  0.151  1.0
  Co  Co4  1  0.240  0.014  0.012  1.0
  Co  Co5  1  0.760  0.773  0.488  1.0
  Co  Co6  1  0.760  0.986  0.988  1.0
  Co  Co7  1  0.240  0.227  0.512  1.0
  Co  Co8  1  0.000  0.658  0.750  1.0
  Co  Co9  1  0.000  0.342  0.250  1.0
  N  N10  1  0.210  0.937  0.526  1.0
  N  N11  1  0.790  0.727  0.974  1.0
  N  N12  1  0.790  0.063  0.474  1.0
  N  N13  1  0.210  0.273  0.026  1.0
  N  N14  1  0.693  0.242  0.992  1.0
  N  N15  1  0.307  0.549  0.508  1.0
  N  N16  1  0.307  0.758  0.008  1.0
  N  N17  1  0.693  0.451  0.492  1.0
[/CIF]
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