The material structure described by Zn3(FeN2)2 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 corner and edge-sharing FeN4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a 6-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 to two equivalent Fe(1), one Zn(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing NZn3Fe2 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Zn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   8.401
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   91.279
_cell_angle_gamma   133.294
_symmetry_Int_Tables_number   1
_cell_volume   193.757
_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  0.227  0.971  0.078  1.0
  Zn  Zn1  1  0.773  0.744  0.422  1.0
  Zn  Zn2  1  0.773  0.029  0.922  1.0
  Zn  Zn3  1  0.227  0.256  0.578  1.0
  Zn  Zn4  1  0.000  0.616  0.750  1.0
  Zn  Zn5  1  0.000  0.384  0.250  1.0
  Fe  Fe6  1  0.563  0.158  0.622  1.0
  Fe  Fe7  1  0.437  0.595  0.878  1.0
  Fe  Fe8  1  0.437  0.842  0.378  1.0
  Fe  Fe9  1  0.563  0.405  0.122  1.0
  N  N10  1  0.199  0.894  0.491  1.0
  N  N11  1  0.801  0.695  0.009  1.0
  N  N12  1  0.801  0.106  0.509  1.0
  N  N13  1  0.199  0.305  0.991  1.0
  N  N14  1  0.634  0.247  0.969  1.0
  N  N15  1  0.366  0.613  0.531  1.0
  N  N16  1  0.366  0.753  0.031  1.0
  N  N17  1  0.634  0.387  0.469  1.0
[/CIF]
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The material structure described by Zn3(FeN2)2 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 corner and edge-sharing FeN4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Zn site, Zn(2) is bonded in a 6-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 to two equivalent Fe(1), one Zn(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing NZn3Fe2 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Zn(1), and two equivalent Zn(2) atoms. is represented by the CIF file [CIF]
data_Zn3(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   8.401
_cell_length_c   5.176
_cell_angle_alpha   90.000
_cell_angle_beta   91.279
_cell_angle_gamma   133.294
_symmetry_Int_Tables_number   1
_cell_volume   193.757
_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  0.227  0.971  0.078  1.0
  Zn  Zn1  1  0.773  0.744  0.422  1.0
  Zn  Zn2  1  0.773  0.029  0.922  1.0
  Zn  Zn3  1  0.227  0.256  0.578  1.0
  Zn  Zn4  1  0.000  0.616  0.750  1.0
  Zn  Zn5  1  0.000  0.384  0.250  1.0
  Fe  Fe6  1  0.563  0.158  0.622  1.0
  Fe  Fe7  1  0.437  0.595  0.878  1.0
  Fe  Fe8  1  0.437  0.842  0.378  1.0
  Fe  Fe9  1  0.563  0.405  0.122  1.0
  N  N10  1  0.199  0.894  0.491  1.0
  N  N11  1  0.801  0.695  0.009  1.0
  N  N12  1  0.801  0.106  0.509  1.0
  N  N13  1  0.199  0.305  0.991  1.0
  N  N14  1  0.634  0.247  0.969  1.0
  N  N15  1  0.366  0.613  0.531  1.0
  N  N16  1  0.366  0.753  0.031  1.0
  N  N17  1  0.634  0.387  0.469  1.0
[/CIF]
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