The material described by Fe(CoN)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. N(1) is bonded to one Fe(1) and five equivalent Co(1) atoms to form a mixture of corner and edge-sharing NFeCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CoN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.787
_cell_length_b   2.786
_cell_length_c   6.154
_cell_angle_alpha   103.080
_cell_angle_beta   103.086
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.262
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.163  0.163  0.825  1.0
  Co  Co2  1  0.837  0.837  0.175  1.0
  N  N3  1  0.660  0.660  0.819  1.0
  N  N4  1  0.340  0.340  0.181  1.0
[/CIF]
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The material described by Fe(CoN)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. N(1) is bonded to one Fe(1) and five equivalent Co(1) atoms to form a mixture of corner and edge-sharing NFeCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CoN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.787
_cell_length_b   2.786
_cell_length_c   6.154
_cell_angle_alpha   103.080
_cell_angle_beta   103.086
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.262
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.163  0.163  0.825  1.0
  Co  Co2  1  0.837  0.837  0.175  1.0
  N  N3  1  0.660  0.660  0.819  1.0
  N  N4  1  0.340  0.340  0.181  1.0
[/CIF]
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