The material structure described by Fe2Co3N4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing FeN4 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 four 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 Fe(1), one Co(2), and two equivalent Co(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.513
_cell_length_b   6.767
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   93.463
_cell_angle_gamma   127.861
_symmetry_Int_Tables_number   1
_cell_volume   161.829
_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
  Fe  Fe0  1  0.613  0.165  0.662  1.0
  Fe  Fe1  1  0.387  0.553  0.838  1.0
  Fe  Fe2  1  0.387  0.835  0.338  1.0
  Fe  Fe3  1  0.613  0.447  0.162  1.0
  Co  Co4  1  0.241  0.019  0.003  1.0
  Co  Co5  1  0.759  0.777  0.497  1.0
  Co  Co6  1  0.759  0.981  0.997  1.0
  Co  Co7  1  0.241  0.223  0.503  1.0
  Co  Co8  1  0.000  0.646  0.750  1.0
  Co  Co9  1  0.000  0.354  0.250  1.0
  N  N10  1  0.195  0.917  0.535  1.0
  N  N11  1  0.805  0.722  0.965  1.0
  N  N12  1  0.805  0.083  0.465  1.0
  N  N13  1  0.195  0.278  0.035  1.0
  N  N14  1  0.680  0.245  0.989  1.0
  N  N15  1  0.320  0.565  0.511  1.0
  N  N16  1  0.320  0.755  0.011  1.0
  N  N17  1  0.680  0.435  0.489  1.0
[/CIF]
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The material structure described by Fe2Co3N4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing FeN4 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 four 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 Fe(1), one Co(2), and two equivalent Co(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2Co3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.513
_cell_length_b   6.767
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   93.463
_cell_angle_gamma   127.861
_symmetry_Int_Tables_number   1
_cell_volume   161.829
_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
  Fe  Fe0  1  0.613  0.165  0.662  1.0
  Fe  Fe1  1  0.387  0.553  0.838  1.0
  Fe  Fe2  1  0.387  0.835  0.338  1.0
  Fe  Fe3  1  0.613  0.447  0.162  1.0
  Co  Co4  1  0.241  0.019  0.003  1.0
  Co  Co5  1  0.759  0.777  0.497  1.0
  Co  Co6  1  0.759  0.981  0.997  1.0
  Co  Co7  1  0.241  0.223  0.503  1.0
  Co  Co8  1  0.000  0.646  0.750  1.0
  Co  Co9  1  0.000  0.354  0.250  1.0
  N  N10  1  0.195  0.917  0.535  1.0
  N  N11  1  0.805  0.722  0.965  1.0
  N  N12  1  0.805  0.083  0.465  1.0
  N  N13  1  0.195  0.278  0.035  1.0
  N  N14  1  0.680  0.245  0.989  1.0
  N  N15  1  0.320  0.565  0.511  1.0
  N  N16  1  0.320  0.755  0.011  1.0
  N  N17  1  0.680  0.435  0.489  1.0
[/CIF]
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