The material described by HFeCl4N2Cl is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four HFeCl4 clusters and four N2Cl clusters. In each HFeCl4 cluster, Fe(1) is bonded in a 5-coordinate geometry to one H(1), one Cl(1), one Cl(4), and two equivalent Cl(2) atoms. H(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(1) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. In each N2Cl cluster, N(1) is bonded in a single-bond geometry to one Cl(3) atom. Cl(3) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeHN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.360
_cell_length_b   8.054
_cell_length_c   15.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1049.241
_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  0.760  0.750  0.908  1.0
  Fe  Fe1  1  0.240  0.250  0.092  1.0
  Fe  Fe2  1  0.260  0.250  0.592  1.0
  Fe  Fe3  1  0.740  0.750  0.408  1.0
  H  H4  1  0.593  0.750  0.943  1.0
  H  H5  1  0.407  0.250  0.057  1.0
  H  H6  1  0.093  0.250  0.557  1.0
  H  H7  1  0.907  0.750  0.443  1.0
  N  N8  1  0.722  0.074  0.646  1.0
  N  N9  1  0.278  0.926  0.354  1.0
  N  N10  1  0.222  0.926  0.854  1.0
  N  N11  1  0.278  0.574  0.354  1.0
  N  N12  1  0.778  0.074  0.146  1.0
  N  N13  1  0.722  0.426  0.646  1.0
  N  N14  1  0.778  0.426  0.146  1.0
  N  N15  1  0.222  0.574  0.854  1.0
  Cl  Cl16  1  0.882  0.750  0.025  1.0
  Cl  Cl17  1  0.118  0.250  0.975  1.0
  Cl  Cl18  1  0.382  0.250  0.475  1.0
  Cl  Cl19  1  0.618  0.750  0.525  1.0
  Cl  Cl20  1  0.675  0.004  0.909  1.0
  Cl  Cl21  1  0.325  0.996  0.091  1.0
  Cl  Cl22  1  0.175  0.996  0.591  1.0
  Cl  Cl23  1  0.325  0.504  0.091  1.0
  Cl  Cl24  1  0.825  0.004  0.409  1.0
  Cl  Cl25  1  0.675  0.496  0.909  1.0
  Cl  Cl26  1  0.825  0.496  0.409  1.0
  Cl  Cl27  1  0.175  0.504  0.591  1.0
  Cl  Cl28  1  0.271  0.750  0.870  1.0
  Cl  Cl29  1  0.729  0.250  0.130  1.0
  Cl  Cl30  1  0.771  0.250  0.630  1.0
  Cl  Cl31  1  0.229  0.750  0.370  1.0
  Cl  Cl32  1  0.833  0.750  0.777  1.0
  Cl  Cl33  1  0.167  0.250  0.223  1.0
  Cl  Cl34  1  0.333  0.250  0.723  1.0
  Cl  Cl35  1  0.667  0.750  0.277  1.0
[/CIF]
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The material described by HFeCl4N2Cl is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four HFeCl4 clusters and four N2Cl clusters. In each HFeCl4 cluster, Fe(1) is bonded in a 5-coordinate geometry to one H(1), one Cl(1), one Cl(4), and two equivalent Cl(2) atoms. H(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(1) is bonded in a single-bond geometry to one Fe(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. In each N2Cl cluster, N(1) is bonded in a single-bond geometry to one Cl(3) atom. Cl(3) is bonded in a bent 150 degrees geometry to two equivalent N(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeHN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.360
_cell_length_b   8.054
_cell_length_c   15.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1049.241
_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  0.760  0.750  0.908  1.0
  Fe  Fe1  1  0.240  0.250  0.092  1.0
  Fe  Fe2  1  0.260  0.250  0.592  1.0
  Fe  Fe3  1  0.740  0.750  0.408  1.0
  H  H4  1  0.593  0.750  0.943  1.0
  H  H5  1  0.407  0.250  0.057  1.0
  H  H6  1  0.093  0.250  0.557  1.0
  H  H7  1  0.907  0.750  0.443  1.0
  N  N8  1  0.722  0.074  0.646  1.0
  N  N9  1  0.278  0.926  0.354  1.0
  N  N10  1  0.222  0.926  0.854  1.0
  N  N11  1  0.278  0.574  0.354  1.0
  N  N12  1  0.778  0.074  0.146  1.0
  N  N13  1  0.722  0.426  0.646  1.0
  N  N14  1  0.778  0.426  0.146  1.0
  N  N15  1  0.222  0.574  0.854  1.0
  Cl  Cl16  1  0.882  0.750  0.025  1.0
  Cl  Cl17  1  0.118  0.250  0.975  1.0
  Cl  Cl18  1  0.382  0.250  0.475  1.0
  Cl  Cl19  1  0.618  0.750  0.525  1.0
  Cl  Cl20  1  0.675  0.004  0.909  1.0
  Cl  Cl21  1  0.325  0.996  0.091  1.0
  Cl  Cl22  1  0.175  0.996  0.591  1.0
  Cl  Cl23  1  0.325  0.504  0.091  1.0
  Cl  Cl24  1  0.825  0.004  0.409  1.0
  Cl  Cl25  1  0.675  0.496  0.909  1.0
  Cl  Cl26  1  0.825  0.496  0.409  1.0
  Cl  Cl27  1  0.175  0.504  0.591  1.0
  Cl  Cl28  1  0.271  0.750  0.870  1.0
  Cl  Cl29  1  0.729  0.250  0.130  1.0
  Cl  Cl30  1  0.771  0.250  0.630  1.0
  Cl  Cl31  1  0.229  0.750  0.370  1.0
  Cl  Cl32  1  0.833  0.750  0.777  1.0
  Cl  Cl33  1  0.167  0.250  0.223  1.0
  Cl  Cl34  1  0.333  0.250  0.723  1.0
  Cl  Cl35  1  0.667  0.750  0.277  1.0
[/CIF]
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