The compound described by Fe2CuN2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing FeN4 tetrahedra. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to four equivalent Fe(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.442
_cell_length_b   3.442
_cell_length_c   5.801
_cell_angle_alpha   107.256
_cell_angle_beta   107.256
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   62.372
_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  0.981  0.519  0.500  1.0
  Fe  Fe1  1  0.481  0.019  0.500  1.0
  Cu  Cu2  1  0.232  0.268  0.000  1.0
  N  N3  1  0.057  0.094  0.651  1.0
  N  N4  1  0.406  0.443  0.349  1.0
[/CIF]
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The compound described by Fe2CuN2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing FeN4 tetrahedra. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to four equivalent Fe(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.442
_cell_length_b   3.442
_cell_length_c   5.801
_cell_angle_alpha   107.256
_cell_angle_beta   107.256
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   62.372
_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  0.981  0.519  0.500  1.0
  Fe  Fe1  1  0.481  0.019  0.500  1.0
  Cu  Cu2  1  0.232  0.268  0.000  1.0
  N  N3  1  0.057  0.094  0.651  1.0
  N  N4  1  0.406  0.443  0.349  1.0
[/CIF]
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