The material described by Fe5CoN4 is pyrite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with four equivalent Co(1)N4 tetrahedra. Co(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CoN4 tetrahedra that share corners with four equivalent Fe(2)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Fe(2), four equivalent Fe(1), and one Co(1) atom. In the second N site, N(2) is bonded to one Fe(2), four equivalent Fe(1), and one Co(1) atom to form a mixture of corner and edge-sharing NFe5Co octahedra. The corner-sharing octahedral tilt angles range from 56-62°. is represented by the CIF card [CIF]
data_Fe5CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   5.676
_cell_length_c   4.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.949
_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  0.556  0.496  0.249  1.0
  Fe  Fe1  1  0.944  0.496  0.249  1.0
  Fe  Fe2  1  0.556  0.004  0.249  1.0
  Fe  Fe3  1  0.944  0.004  0.249  1.0
  Fe  Fe4  1  0.444  0.504  0.751  1.0
  Fe  Fe5  1  0.056  0.504  0.751  1.0
  Fe  Fe6  1  0.444  0.996  0.751  1.0
  Fe  Fe7  1  0.056  0.996  0.751  1.0
  Fe  Fe8  1  0.750  0.750  0.706  1.0
  Fe  Fe9  1  0.250  0.250  0.294  1.0
  Co  Co10  1  0.750  0.250  0.707  1.0
  Co  Co11  1  0.250  0.750  0.293  1.0
  N  N12  1  0.750  0.996  0.975  1.0
  N  N13  1  0.750  0.504  0.975  1.0
  N  N14  1  0.250  0.004  0.025  1.0
  N  N15  1  0.250  0.496  0.025  1.0
  N  N16  1  0.509  0.750  0.496  1.0
  N  N17  1  0.991  0.750  0.496  1.0
  N  N18  1  0.491  0.250  0.504  1.0
  N  N19  1  0.009  0.250  0.504  1.0
[/CIF]
.
The material described by Fe5CoN4 is pyrite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form FeN4 tetrahedra that share corners with four equivalent Co(1)N4 tetrahedra. Co(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CoN4 tetrahedra that share corners with four equivalent Fe(2)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Fe(2), four equivalent Fe(1), and one Co(1) atom. In the second N site, N(2) is bonded to one Fe(2), four equivalent Fe(1), and one Co(1) atom to form a mixture of corner and edge-sharing NFe5Co octahedra. The corner-sharing octahedral tilt angles range from 56-62°. is represented by the CIF card [CIF]
data_Fe5CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.850
_cell_length_b   5.676
_cell_length_c   4.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.949
_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  0.556  0.496  0.249  1.0
  Fe  Fe1  1  0.944  0.496  0.249  1.0
  Fe  Fe2  1  0.556  0.004  0.249  1.0
  Fe  Fe3  1  0.944  0.004  0.249  1.0
  Fe  Fe4  1  0.444  0.504  0.751  1.0
  Fe  Fe5  1  0.056  0.504  0.751  1.0
  Fe  Fe6  1  0.444  0.996  0.751  1.0
  Fe  Fe7  1  0.056  0.996  0.751  1.0
  Fe  Fe8  1  0.750  0.750  0.706  1.0
  Fe  Fe9  1  0.250  0.250  0.294  1.0
  Co  Co10  1  0.750  0.250  0.707  1.0
  Co  Co11  1  0.250  0.750  0.293  1.0
  N  N12  1  0.750  0.996  0.975  1.0
  N  N13  1  0.750  0.504  0.975  1.0
  N  N14  1  0.250  0.004  0.025  1.0
  N  N15  1  0.250  0.496  0.025  1.0
  N  N16  1  0.509  0.750  0.496  1.0
  N  N17  1  0.991  0.750  0.496  1.0
  N  N18  1  0.491  0.250  0.504  1.0
  N  N19  1  0.009  0.250  0.504  1.0
[/CIF]
.