The compound described by Cr2Fe3N4 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 Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(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 Fe(2), and two equivalent Fe(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Cr2Fe3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   7.273
_cell_length_c   5.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.762
_cell_angle_gamma   130.392
_symmetry_Int_Tables_number   1
_cell_volume   168.242
_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  0.646  0.195  0.650  1.0
  Cr  Cr1  1  0.354  0.549  0.850  1.0
  Cr  Cr2  1  0.354  0.805  0.350  1.0
  Cr  Cr3  1  0.646  0.451  0.150  1.0
  Fe  Fe4  1  0.239  0.021  0.002  1.0
  Fe  Fe5  1  0.761  0.782  0.498  1.0
  Fe  Fe6  1  0.761  0.979  0.998  1.0
  Fe  Fe7  1  0.239  0.218  0.502  1.0
  Fe  Fe8  1  0.000  0.658  0.750  1.0
  Fe  Fe9  1  0.000  0.342  0.250  1.0
  N  N10  1  0.213  0.936  0.534  1.0
  N  N11  1  0.787  0.723  0.966  1.0
  N  N12  1  0.787  0.064  0.466  1.0
  N  N13  1  0.213  0.277  0.034  1.0
  N  N14  1  0.699  0.248  0.993  1.0
  N  N15  1  0.301  0.548  0.507  1.0
  N  N16  1  0.301  0.752  0.007  1.0
  N  N17  1  0.699  0.452  0.493  1.0
[/CIF]
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The compound described by Cr2Fe3N4 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 Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(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 Fe(2), and two equivalent Fe(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), one Fe(2), and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Cr2Fe3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   7.273
_cell_length_c   5.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.762
_cell_angle_gamma   130.392
_symmetry_Int_Tables_number   1
_cell_volume   168.242
_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  0.646  0.195  0.650  1.0
  Cr  Cr1  1  0.354  0.549  0.850  1.0
  Cr  Cr2  1  0.354  0.805  0.350  1.0
  Cr  Cr3  1  0.646  0.451  0.150  1.0
  Fe  Fe4  1  0.239  0.021  0.002  1.0
  Fe  Fe5  1  0.761  0.782  0.498  1.0
  Fe  Fe6  1  0.761  0.979  0.998  1.0
  Fe  Fe7  1  0.239  0.218  0.502  1.0
  Fe  Fe8  1  0.000  0.658  0.750  1.0
  Fe  Fe9  1  0.000  0.342  0.250  1.0
  N  N10  1  0.213  0.936  0.534  1.0
  N  N11  1  0.787  0.723  0.966  1.0
  N  N12  1  0.787  0.064  0.466  1.0
  N  N13  1  0.213  0.277  0.034  1.0
  N  N14  1  0.699  0.248  0.993  1.0
  N  N15  1  0.301  0.548  0.507  1.0
  N  N16  1  0.301  0.752  0.007  1.0
  N  N17  1  0.699  0.452  0.493  1.0
[/CIF]
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