The compound described by Cr(FeN)3 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Fe site, Fe(2) is bonded in a see-saw-like 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 to one Cr(1), one Fe(2), and three equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NCrFe4 trigonal bipyramids. In the second N site, N(2) is bonded to one Cr(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form a mixture of edge and corner-sharing NCrFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr(FeN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.686
_cell_length_b   6.719
_cell_length_c   3.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.092
_symmetry_Int_Tables_number   1
_cell_volume   148.261
_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  0.663  0.331  0.750  1.0
  Cr  Cr1  1  0.337  0.669  0.250  1.0
  Fe  Fe2  1  0.840  0.678  0.250  1.0
  Fe  Fe3  1  0.841  0.162  0.250  1.0
  Fe  Fe4  1  0.314  0.157  0.250  1.0
  Fe  Fe5  1  0.160  0.322  0.750  1.0
  Fe  Fe6  1  0.159  0.838  0.750  1.0
  Fe  Fe7  1  0.686  0.843  0.750  1.0
  N  N8  1  0.819  0.641  0.750  1.0
  N  N9  1  0.819  0.178  0.750  1.0
  N  N10  1  0.352  0.176  0.750  1.0
  N  N11  1  0.181  0.359  0.250  1.0
  N  N12  1  0.181  0.822  0.250  1.0
  N  N13  1  0.648  0.824  0.250  1.0
[/CIF]
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The compound described by Cr(FeN)3 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a see-saw-like geometry to one N(2) and three equivalent N(1) atoms. In the second Fe site, Fe(2) is bonded in a see-saw-like 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 to one Cr(1), one Fe(2), and three equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NCrFe4 trigonal bipyramids. In the second N site, N(2) is bonded to one Cr(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form a mixture of edge and corner-sharing NCrFe4 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr(FeN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.686
_cell_length_b   6.719
_cell_length_c   3.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.092
_symmetry_Int_Tables_number   1
_cell_volume   148.261
_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  0.663  0.331  0.750  1.0
  Cr  Cr1  1  0.337  0.669  0.250  1.0
  Fe  Fe2  1  0.840  0.678  0.250  1.0
  Fe  Fe3  1  0.841  0.162  0.250  1.0
  Fe  Fe4  1  0.314  0.157  0.250  1.0
  Fe  Fe5  1  0.160  0.322  0.750  1.0
  Fe  Fe6  1  0.159  0.838  0.750  1.0
  Fe  Fe7  1  0.686  0.843  0.750  1.0
  N  N8  1  0.819  0.641  0.750  1.0
  N  N9  1  0.819  0.178  0.750  1.0
  N  N10  1  0.352  0.176  0.750  1.0
  N  N11  1  0.181  0.359  0.250  1.0
  N  N12  1  0.181  0.822  0.250  1.0
  N  N13  1  0.648  0.824  0.250  1.0
[/CIF]
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