The crystal structure described by H3Fe2(TeO3)4Cl crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), and one Cl(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one H(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one H(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one H(2) and one Te(2) atom. Cl(1) is bonded in a distorted square co-planar geometry to two equivalent Te(1) and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_Fe2Te4H3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   6.741
_cell_length_c   9.062
_cell_angle_alpha   73.055
_cell_angle_beta   79.129
_cell_angle_gamma   76.876
_symmetry_Int_Tables_number   1
_cell_volume   293.985
_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  0.724  0.142  0.445  1.0
  Fe  Fe1  1  0.276  0.858  0.555  1.0
  Te  Te2  1  0.877  0.661  0.313  1.0
  Te  Te3  1  0.123  0.339  0.687  1.0
  Te  Te4  1  0.669  0.831  0.833  1.0
  Te  Te5  1  0.331  0.169  0.167  1.0
  H  H6  1  0.555  0.534  0.211  1.0
  H  H7  1  0.445  0.466  0.789  1.0
  H  H8  1  0.000  0.500  0.000  1.0
  Cl  Cl9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.812  0.404  0.463  1.0
  O  O11  1  0.188  0.596  0.537  1.0
  O  O12  1  0.635  0.864  0.416  1.0
  O  O13  1  0.365  0.136  0.584  1.0
  O  O14  1  0.590  0.682  0.193  1.0
  O  O15  1  0.410  0.318  0.807  1.0
  O  O16  1  0.461  0.712  0.739  1.0
  O  O17  1  0.539  0.288  0.261  1.0
  O  O18  1  0.891  0.959  0.646  1.0
  O  O19  1  0.109  0.041  0.354  1.0
  O  O20  1  0.903  0.566  0.879  1.0
  O  O21  1  0.097  0.434  0.121  1.0
[/CIF]
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The crystal structure described by H3Fe2(TeO3)4Cl crystallizes in the triclinic P-1 space group. Fe(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(6), and one Cl(1) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one H(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one H(1), and one Te(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Te(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one H(2) and one Te(2) atom. Cl(1) is bonded in a distorted square co-planar geometry to two equivalent Te(1) and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_Fe2Te4H3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   6.741
_cell_length_c   9.062
_cell_angle_alpha   73.055
_cell_angle_beta   79.129
_cell_angle_gamma   76.876
_symmetry_Int_Tables_number   1
_cell_volume   293.985
_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  0.724  0.142  0.445  1.0
  Fe  Fe1  1  0.276  0.858  0.555  1.0
  Te  Te2  1  0.877  0.661  0.313  1.0
  Te  Te3  1  0.123  0.339  0.687  1.0
  Te  Te4  1  0.669  0.831  0.833  1.0
  Te  Te5  1  0.331  0.169  0.167  1.0
  H  H6  1  0.555  0.534  0.211  1.0
  H  H7  1  0.445  0.466  0.789  1.0
  H  H8  1  0.000  0.500  0.000  1.0
  Cl  Cl9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.812  0.404  0.463  1.0
  O  O11  1  0.188  0.596  0.537  1.0
  O  O12  1  0.635  0.864  0.416  1.0
  O  O13  1  0.365  0.136  0.584  1.0
  O  O14  1  0.590  0.682  0.193  1.0
  O  O15  1  0.410  0.318  0.807  1.0
  O  O16  1  0.461  0.712  0.739  1.0
  O  O17  1  0.539  0.288  0.261  1.0
  O  O18  1  0.891  0.959  0.646  1.0
  O  O19  1  0.109  0.041  0.354  1.0
  O  O20  1  0.903  0.566  0.879  1.0
  O  O21  1  0.097  0.434  0.121  1.0
[/CIF]
.