The material described by FeNCl4N2Cl is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four FeNCl4 clusters and four N2Cl clusters. In each FeNCl4 cluster, Fe(1) is bonded in a 5-coordinate geometry to one N(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. N(1) is bonded in a single-bond geometry to one Fe(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Fe(1) atom. In each N2Cl cluster, N(2) is bonded in a single-bond geometry to one Cl(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent N(2) atoms. is represented by the CIF file [CIF]
data_FeN3Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   8.194
_cell_length_c   15.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   912.437
_cell_formula_units_Z   4
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  0.867  0.750  0.427  1.0
  Fe  Fe1  1  0.633  0.750  0.927  1.0
  Fe  Fe2  1  0.133  0.250  0.573  1.0
  Fe  Fe3  1  0.367  0.250  0.073  1.0
  N  N4  1  0.986  0.750  0.508  1.0
  N  N5  1  0.514  0.750  0.008  1.0
  N  N6  1  0.014  0.250  0.492  1.0
  N  N7  1  0.486  0.250  0.992  1.0
  N  N8  1  0.785  0.921  0.164  1.0
  N  N9  1  0.715  0.579  0.664  1.0
  N  N10  1  0.215  0.421  0.836  1.0
  N  N11  1  0.285  0.079  0.336  1.0
  N  N12  1  0.215  0.079  0.836  1.0
  N  N13  1  0.285  0.421  0.336  1.0
  N  N14  1  0.785  0.579  0.164  1.0
  N  N15  1  0.715  0.921  0.664  1.0
  Cl  Cl16  1  0.718  0.750  0.183  1.0
  Cl  Cl17  1  0.782  0.750  0.683  1.0
  Cl  Cl18  1  0.282  0.250  0.817  1.0
  Cl  Cl19  1  0.218  0.250  0.317  1.0
  Cl  Cl20  1  0.810  0.491  0.395  1.0
  Cl  Cl21  1  0.690  0.009  0.895  1.0
  Cl  Cl22  1  0.190  0.991  0.605  1.0
  Cl  Cl23  1  0.310  0.509  0.105  1.0
  Cl  Cl24  1  0.190  0.509  0.605  1.0
  Cl  Cl25  1  0.310  0.991  0.105  1.0
  Cl  Cl26  1  0.810  0.009  0.395  1.0
  Cl  Cl27  1  0.690  0.491  0.895  1.0
  Cl  Cl28  1  0.582  0.750  0.480  1.0
  Cl  Cl29  1  0.918  0.750  0.980  1.0
  Cl  Cl30  1  0.418  0.250  0.520  1.0
  Cl  Cl31  1  0.082  0.250  0.020  1.0
  Cl  Cl32  1  0.075  0.750  0.326  1.0
  Cl  Cl33  1  0.425  0.750  0.826  1.0
  Cl  Cl34  1  0.925  0.250  0.674  1.0
  Cl  Cl35  1  0.575  0.250  0.174  1.0
[/CIF]
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The material described by FeNCl4N2Cl is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four FeNCl4 clusters and four N2Cl clusters. In each FeNCl4 cluster, Fe(1) is bonded in a 5-coordinate geometry to one N(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. N(1) is bonded in a single-bond geometry to one Fe(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Fe(1) atom. In each N2Cl cluster, N(2) is bonded in a single-bond geometry to one Cl(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent N(2) atoms. is represented by the CIF file [CIF]
data_FeN3Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   8.194
_cell_length_c   15.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   912.437
_cell_formula_units_Z   4
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  0.867  0.750  0.427  1.0
  Fe  Fe1  1  0.633  0.750  0.927  1.0
  Fe  Fe2  1  0.133  0.250  0.573  1.0
  Fe  Fe3  1  0.367  0.250  0.073  1.0
  N  N4  1  0.986  0.750  0.508  1.0
  N  N5  1  0.514  0.750  0.008  1.0
  N  N6  1  0.014  0.250  0.492  1.0
  N  N7  1  0.486  0.250  0.992  1.0
  N  N8  1  0.785  0.921  0.164  1.0
  N  N9  1  0.715  0.579  0.664  1.0
  N  N10  1  0.215  0.421  0.836  1.0
  N  N11  1  0.285  0.079  0.336  1.0
  N  N12  1  0.215  0.079  0.836  1.0
  N  N13  1  0.285  0.421  0.336  1.0
  N  N14  1  0.785  0.579  0.164  1.0
  N  N15  1  0.715  0.921  0.664  1.0
  Cl  Cl16  1  0.718  0.750  0.183  1.0
  Cl  Cl17  1  0.782  0.750  0.683  1.0
  Cl  Cl18  1  0.282  0.250  0.817  1.0
  Cl  Cl19  1  0.218  0.250  0.317  1.0
  Cl  Cl20  1  0.810  0.491  0.395  1.0
  Cl  Cl21  1  0.690  0.009  0.895  1.0
  Cl  Cl22  1  0.190  0.991  0.605  1.0
  Cl  Cl23  1  0.310  0.509  0.105  1.0
  Cl  Cl24  1  0.190  0.509  0.605  1.0
  Cl  Cl25  1  0.310  0.991  0.105  1.0
  Cl  Cl26  1  0.810  0.009  0.395  1.0
  Cl  Cl27  1  0.690  0.491  0.895  1.0
  Cl  Cl28  1  0.582  0.750  0.480  1.0
  Cl  Cl29  1  0.918  0.750  0.980  1.0
  Cl  Cl30  1  0.418  0.250  0.520  1.0
  Cl  Cl31  1  0.082  0.250  0.020  1.0
  Cl  Cl32  1  0.075  0.750  0.326  1.0
  Cl  Cl33  1  0.425  0.750  0.826  1.0
  Cl  Cl34  1  0.925  0.250  0.674  1.0
  Cl  Cl35  1  0.575  0.250  0.174  1.0
[/CIF]
.