The crystal structure described by Cr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the second Cr site, Cr(2) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the third Cr site, Cr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CrN5 square pyramids. In the fourth Cr site, Cr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of corner and edge-sharing CrN5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Fe site, Fe(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1), one Cr(4), two equivalent Cr(3), and one Fe(2) atom to form distorted NCr4Fe trigonal bipyramids that share corners with two equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(1)Cr4Fe trigonal bipyramids, corners with three equivalent N(2)Cr4Fe trigonal bipyramids, edges with two equivalent N(4)Cr5Fe octahedra, and edges with three equivalent N(3)Cr5Fe octahedra. The corner-sharing octahedral tilt angles are 78°. In the second N site, N(2) is bonded to one Cr(1), one Cr(4), two equivalent Cr(2), and one Fe(2) atom to form NCr4Fe trigonal bipyramids that share corners with two equivalent N(3)Cr5Fe octahedra, corners with two equivalent N(2)Cr4Fe trigonal bipyramids, corners with three equivalent N(1)Cr4Fe trigonal bipyramids, edges with two equivalent N(3)Cr5Fe octahedra, and edges with two equivalent N(4)Cr5Fe octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the third N site, N(3) is bonded to one Cr(2), one Cr(3), three equivalent Cr(4), and one Fe(2) atom to form NCr5Fe octahedra that share corners with two equivalent N(3)Cr5Fe octahedra, corners with three equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(2)Cr4Fe trigonal bipyramids, edges with two equivalent N(3)Cr5Fe octahedra, edges with two equivalent N(2)Cr4Fe trigonal bipyramids, and edges with three equivalent N(1)Cr4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-54°. In the fourth N site, N(4) is bonded to one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Fe(1) atom to form NCr5Fe octahedra that share corners with three equivalent N(3)Cr5Fe octahedra, corners with three equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(1)Cr4Fe trigonal bipyramids,  an edgeedge with one N(4)Cr5Fe octahedra, edges with two equivalent N(1)Cr4Fe trigonal bipyramids, and edges with two equivalent N(2)Cr4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_Cr8Fe3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   3.936
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   71.218
_cell_angle_gamma   76.212
_symmetry_Int_Tables_number   1
_cell_volume   179.554
_cell_formula_units_Z   1
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  0.063  0.968  0.737  1.0
  Cr  Cr1  1  0.937  0.032  0.263  1.0
  Cr  Cr2  1  0.697  0.652  0.470  1.0
  Cr  Cr3  1  0.303  0.348  0.530  1.0
  Cr  Cr4  1  0.819  0.590  0.955  1.0
  Cr  Cr5  1  0.181  0.410  0.045  1.0
  Cr  Cr6  1  0.564  0.218  0.838  1.0
  Cr  Cr7  1  0.436  0.782  0.162  1.0
  Fe  Fe8  1  0.000  0.500  0.500  1.0
  Fe  Fe9  1  0.367  0.816  0.784  1.0
  Fe  Fe10  1  0.633  0.184  0.216  1.0
  N  N11  1  0.208  0.896  0.092  1.0
  N  N12  1  0.792  0.104  0.908  1.0
  N  N13  1  0.311  0.845  0.512  1.0
  N  N14  1  0.689  0.155  0.488  1.0
  N  N15  1  0.599  0.700  0.818  1.0
  N  N16  1  0.401  0.300  0.182  1.0
  N  N17  1  0.070  0.465  0.769  1.0
  N  N18  1  0.930  0.535  0.231  1.0
[/CIF]
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The crystal structure described by Cr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the second Cr site, Cr(2) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the third Cr site, Cr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CrN5 square pyramids. In the fourth Cr site, Cr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of corner and edge-sharing CrN5 square pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Fe site, Fe(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1), one Cr(4), two equivalent Cr(3), and one Fe(2) atom to form distorted NCr4Fe trigonal bipyramids that share corners with two equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(1)Cr4Fe trigonal bipyramids, corners with three equivalent N(2)Cr4Fe trigonal bipyramids, edges with two equivalent N(4)Cr5Fe octahedra, and edges with three equivalent N(3)Cr5Fe octahedra. The corner-sharing octahedral tilt angles are 78°. In the second N site, N(2) is bonded to one Cr(1), one Cr(4), two equivalent Cr(2), and one Fe(2) atom to form NCr4Fe trigonal bipyramids that share corners with two equivalent N(3)Cr5Fe octahedra, corners with two equivalent N(2)Cr4Fe trigonal bipyramids, corners with three equivalent N(1)Cr4Fe trigonal bipyramids, edges with two equivalent N(3)Cr5Fe octahedra, and edges with two equivalent N(4)Cr5Fe octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the third N site, N(3) is bonded to one Cr(2), one Cr(3), three equivalent Cr(4), and one Fe(2) atom to form NCr5Fe octahedra that share corners with two equivalent N(3)Cr5Fe octahedra, corners with three equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(2)Cr4Fe trigonal bipyramids, edges with two equivalent N(3)Cr5Fe octahedra, edges with two equivalent N(2)Cr4Fe trigonal bipyramids, and edges with three equivalent N(1)Cr4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-54°. In the fourth N site, N(4) is bonded to one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Fe(1) atom to form NCr5Fe octahedra that share corners with three equivalent N(3)Cr5Fe octahedra, corners with three equivalent N(4)Cr5Fe octahedra, corners with two equivalent N(1)Cr4Fe trigonal bipyramids,  an edgeedge with one N(4)Cr5Fe octahedra, edges with two equivalent N(1)Cr4Fe trigonal bipyramids, and edges with two equivalent N(2)Cr4Fe trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF file [CIF]
data_Cr8Fe3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   3.936
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   71.218
_cell_angle_gamma   76.212
_symmetry_Int_Tables_number   1
_cell_volume   179.554
_cell_formula_units_Z   1
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  0.063  0.968  0.737  1.0
  Cr  Cr1  1  0.937  0.032  0.263  1.0
  Cr  Cr2  1  0.697  0.652  0.470  1.0
  Cr  Cr3  1  0.303  0.348  0.530  1.0
  Cr  Cr4  1  0.819  0.590  0.955  1.0
  Cr  Cr5  1  0.181  0.410  0.045  1.0
  Cr  Cr6  1  0.564  0.218  0.838  1.0
  Cr  Cr7  1  0.436  0.782  0.162  1.0
  Fe  Fe8  1  0.000  0.500  0.500  1.0
  Fe  Fe9  1  0.367  0.816  0.784  1.0
  Fe  Fe10  1  0.633  0.184  0.216  1.0
  N  N11  1  0.208  0.896  0.092  1.0
  N  N12  1  0.792  0.104  0.908  1.0
  N  N13  1  0.311  0.845  0.512  1.0
  N  N14  1  0.689  0.155  0.488  1.0
  N  N15  1  0.599  0.700  0.818  1.0
  N  N16  1  0.401  0.300  0.182  1.0
  N  N17  1  0.070  0.465  0.769  1.0
  N  N18  1  0.930  0.535  0.231  1.0
[/CIF]
.