The material described by FeZn2N2 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. In the second Zn site, Zn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Fe(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second N site, N(2) is bonded to two equivalent Fe(1), one Zn(1), and two equivalent Zn(2) atoms to form a mixture of corner and edge-sharing NZn3Fe2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Zn2FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   5.901
_cell_length_c   7.204
_cell_angle_alpha   57.865
_cell_angle_beta   57.865
_cell_angle_gamma   36.927
_symmetry_Int_Tables_number   1
_cell_volume   124.795
_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
  Zn  Zn0  1  0.312  0.312  0.784  1.0
  Zn  Zn1  1  0.688  0.688  0.216  1.0
  Zn  Zn2  1  0.945  0.945  0.337  1.0
  Zn  Zn3  1  0.055  0.055  0.663  1.0
  Fe  Fe4  1  0.628  0.628  0.873  1.0
  Fe  Fe5  1  0.372  0.372  0.127  1.0
  N  N6  1  0.827  0.827  0.672  1.0
  N  N7  1  0.173  0.173  0.328  1.0
  N  N8  1  0.492  0.492  0.809  1.0
  N  N9  1  0.508  0.508  0.191  1.0
[/CIF]
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The material described by FeZn2N2 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(1) atoms. In the second Zn site, Zn(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing ZnN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Fe(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second N site, N(2) is bonded to two equivalent Fe(1), one Zn(1), and two equivalent Zn(2) atoms to form a mixture of corner and edge-sharing NZn3Fe2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Zn2FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.901
_cell_length_b   5.901
_cell_length_c   7.204
_cell_angle_alpha   57.865
_cell_angle_beta   57.865
_cell_angle_gamma   36.927
_symmetry_Int_Tables_number   1
_cell_volume   124.795
_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
  Zn  Zn0  1  0.312  0.312  0.784  1.0
  Zn  Zn1  1  0.688  0.688  0.216  1.0
  Zn  Zn2  1  0.945  0.945  0.337  1.0
  Zn  Zn3  1  0.055  0.055  0.663  1.0
  Fe  Fe4  1  0.628  0.628  0.873  1.0
  Fe  Fe5  1  0.372  0.372  0.127  1.0
  N  N6  1  0.827  0.827  0.672  1.0
  N  N7  1  0.173  0.173  0.328  1.0
  N  N8  1  0.492  0.492  0.809  1.0
  N  N9  1  0.508  0.508  0.191  1.0
[/CIF]
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