The material structure described by Cr2Fe9N8 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are five 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 square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Fe site, Fe(3) is bonded in a distorted see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the fourth Fe site, Fe(4) 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 FeN5 square pyramids. In the fifth Fe site, Fe(5) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1), one Fe(2), one Fe(5), and two equivalent Fe(4) atoms to form distorted NCrFe4 trigonal bipyramids that share corners with two equivalent N(4)Fe6 octahedra, corners with two equivalent N(1)CrFe4 trigonal bipyramids, corners with three equivalent N(2)CrFe4 trigonal bipyramids, and edges with two equivalent N(4)Fe6 octahedra. The corner-sharing octahedral tilt angles are 79°. In the second N site, N(2) is bonded to one Cr(1), one Fe(2), one Fe(5), and two equivalent Fe(3) atoms to form distorted NCrFe4 trigonal bipyramids that share corners with two equivalent N(2)CrFe4 trigonal bipyramids, corners with three equivalent N(1)CrFe4 trigonal bipyramids, and edges with two equivalent N(4)Fe6 octahedra. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Cr(1), one Fe(3), one Fe(4), and two equivalent Fe(5) atoms. In the fourth N site, N(4) is bonded to one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Fe(4) atoms to form NFe6 octahedra that share corners with three equivalent N(4)Fe6 octahedra, corners with two equivalent N(1)CrFe4 trigonal bipyramids,  an edgeedge with one N(4)Fe6 octahedra, edges with two equivalent N(1)CrFe4 trigonal bipyramids, and edges with two equivalent N(2)CrFe4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2Fe9N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.924
_cell_length_b   3.843
_cell_length_c   6.147
_cell_angle_alpha   90.000
_cell_angle_beta   77.878
_cell_angle_gamma   75.967
_symmetry_Int_Tables_number   1
_cell_volume   177.277
_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  0.413  0.793  0.819  1.0
  Cr  Cr1  1  0.587  0.207  0.181  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.005  0.997  0.769  1.0
  Fe  Fe4  1  0.995  0.003  0.231  1.0
  Fe  Fe5  1  0.694  0.653  0.407  1.0
  Fe  Fe6  1  0.306  0.347  0.593  1.0
  Fe  Fe7  1  0.805  0.598  0.955  1.0
  Fe  Fe8  1  0.195  0.402  0.045  1.0
  Fe  Fe9  1  0.646  0.177  0.679  1.0
  Fe  Fe10  1  0.354  0.823  0.321  1.0
  N  N11  1  0.240  0.880  0.075  1.0
  N  N12  1  0.760  0.120  0.925  1.0
  N  N13  1  0.262  0.869  0.630  1.0
  N  N14  1  0.738  0.131  0.370  1.0
  N  N15  1  0.660  0.670  0.724  1.0
  N  N16  1  0.340  0.330  0.276  1.0
  N  N17  1  0.058  0.471  0.788  1.0
  N  N18  1  0.942  0.529  0.212  1.0
[/CIF]
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The material structure described by Cr2Fe9N8 crystallizes in the monoclinic C2/m space group. Cr(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are five 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 square co-planar geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Fe site, Fe(3) is bonded in a distorted see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the fourth Fe site, Fe(4) 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 FeN5 square pyramids. In the fifth Fe site, Fe(5) is bonded in a distorted see-saw-like geometry to one N(1), one N(2), and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1), one Fe(2), one Fe(5), and two equivalent Fe(4) atoms to form distorted NCrFe4 trigonal bipyramids that share corners with two equivalent N(4)Fe6 octahedra, corners with two equivalent N(1)CrFe4 trigonal bipyramids, corners with three equivalent N(2)CrFe4 trigonal bipyramids, and edges with two equivalent N(4)Fe6 octahedra. The corner-sharing octahedral tilt angles are 79°. In the second N site, N(2) is bonded to one Cr(1), one Fe(2), one Fe(5), and two equivalent Fe(3) atoms to form distorted NCrFe4 trigonal bipyramids that share corners with two equivalent N(2)CrFe4 trigonal bipyramids, corners with three equivalent N(1)CrFe4 trigonal bipyramids, and edges with two equivalent N(4)Fe6 octahedra. In the third N site, N(3) is bonded in a 5-coordinate geometry to one Cr(1), one Fe(3), one Fe(4), and two equivalent Fe(5) atoms. In the fourth N site, N(4) is bonded to one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Fe(4) atoms to form NFe6 octahedra that share corners with three equivalent N(4)Fe6 octahedra, corners with two equivalent N(1)CrFe4 trigonal bipyramids,  an edgeedge with one N(4)Fe6 octahedra, edges with two equivalent N(1)CrFe4 trigonal bipyramids, and edges with two equivalent N(2)CrFe4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-26°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2Fe9N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.924
_cell_length_b   3.843
_cell_length_c   6.147
_cell_angle_alpha   90.000
_cell_angle_beta   77.878
_cell_angle_gamma   75.967
_symmetry_Int_Tables_number   1
_cell_volume   177.277
_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  0.413  0.793  0.819  1.0
  Cr  Cr1  1  0.587  0.207  0.181  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.005  0.997  0.769  1.0
  Fe  Fe4  1  0.995  0.003  0.231  1.0
  Fe  Fe5  1  0.694  0.653  0.407  1.0
  Fe  Fe6  1  0.306  0.347  0.593  1.0
  Fe  Fe7  1  0.805  0.598  0.955  1.0
  Fe  Fe8  1  0.195  0.402  0.045  1.0
  Fe  Fe9  1  0.646  0.177  0.679  1.0
  Fe  Fe10  1  0.354  0.823  0.321  1.0
  N  N11  1  0.240  0.880  0.075  1.0
  N  N12  1  0.760  0.120  0.925  1.0
  N  N13  1  0.262  0.869  0.630  1.0
  N  N14  1  0.738  0.131  0.370  1.0
  N  N15  1  0.660  0.670  0.724  1.0
  N  N16  1  0.340  0.330  0.276  1.0
  N  N17  1  0.058  0.471  0.788  1.0
  N  N18  1  0.942  0.529  0.212  1.0
[/CIF]
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