The material described by FeH2O3Cl5 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four FeH2O3Cl5 clusters. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent Cl(3) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one H(1) and one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent O(2) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Fe(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_FeH2Cl5O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.123
_cell_length_b   8.509
_cell_length_c   14.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   875.973
_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  0.819  0.250  0.108  1.0
  Fe  Fe1  1  0.681  0.250  0.608  1.0
  Fe  Fe2  1  0.181  0.750  0.892  1.0
  Fe  Fe3  1  0.319  0.750  0.392  1.0
  H  H4  1  0.579  0.054  0.390  1.0
  H  H5  1  0.921  0.446  0.890  1.0
  H  H6  1  0.421  0.554  0.610  1.0
  H  H7  1  0.079  0.946  0.110  1.0
  H  H8  1  0.421  0.946  0.610  1.0
  H  H9  1  0.079  0.554  0.110  1.0
  H  H10  1  0.579  0.446  0.390  1.0
  H  H11  1  0.921  0.054  0.890  1.0
  Cl  Cl12  1  0.133  0.250  0.168  1.0
  Cl  Cl13  1  0.367  0.250  0.668  1.0
  Cl  Cl14  1  0.867  0.750  0.832  1.0
  Cl  Cl15  1  0.633  0.750  0.332  1.0
  Cl  Cl16  1  0.644  0.250  0.264  1.0
  Cl  Cl17  1  0.856  0.250  0.764  1.0
  Cl  Cl18  1  0.356  0.750  0.736  1.0
  Cl  Cl19  1  0.144  0.750  0.236  1.0
  Cl  Cl20  1  0.766  0.985  0.119  1.0
  Cl  Cl21  1  0.734  0.515  0.619  1.0
  Cl  Cl22  1  0.234  0.485  0.881  1.0
  Cl  Cl23  1  0.266  0.015  0.381  1.0
  Cl  Cl24  1  0.234  0.015  0.881  1.0
  Cl  Cl25  1  0.266  0.485  0.381  1.0
  Cl  Cl26  1  0.766  0.515  0.119  1.0
  Cl  Cl27  1  0.734  0.985  0.619  1.0
  Cl  Cl28  1  0.594  0.250  0.978  1.0
  Cl  Cl29  1  0.906  0.250  0.478  1.0
  Cl  Cl30  1  0.406  0.750  0.022  1.0
  Cl  Cl31  1  0.094  0.750  0.522  1.0
  O  O32  1  0.958  0.250  0.994  1.0
  O  O33  1  0.542  0.250  0.494  1.0
  O  O34  1  0.042  0.750  0.006  1.0
  O  O35  1  0.458  0.750  0.506  1.0
  O  O36  1  0.210  0.549  0.134  1.0
  O  O37  1  0.290  0.951  0.634  1.0
  O  O38  1  0.790  0.049  0.866  1.0
  O  O39  1  0.710  0.451  0.366  1.0
  O  O40  1  0.790  0.451  0.866  1.0
  O  O41  1  0.710  0.049  0.366  1.0
  O  O42  1  0.210  0.951  0.134  1.0
  O  O43  1  0.290  0.549  0.634  1.0
[/CIF]
.
The material described by FeH2O3Cl5 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four FeH2O3Cl5 clusters. Fe(1) is bonded in a 6-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent Cl(3) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one H(1) and one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent O(2) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Fe(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the CIF file [CIF]
data_FeH2Cl5O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.123
_cell_length_b   8.509
_cell_length_c   14.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   875.973
_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  0.819  0.250  0.108  1.0
  Fe  Fe1  1  0.681  0.250  0.608  1.0
  Fe  Fe2  1  0.181  0.750  0.892  1.0
  Fe  Fe3  1  0.319  0.750  0.392  1.0
  H  H4  1  0.579  0.054  0.390  1.0
  H  H5  1  0.921  0.446  0.890  1.0
  H  H6  1  0.421  0.554  0.610  1.0
  H  H7  1  0.079  0.946  0.110  1.0
  H  H8  1  0.421  0.946  0.610  1.0
  H  H9  1  0.079  0.554  0.110  1.0
  H  H10  1  0.579  0.446  0.390  1.0
  H  H11  1  0.921  0.054  0.890  1.0
  Cl  Cl12  1  0.133  0.250  0.168  1.0
  Cl  Cl13  1  0.367  0.250  0.668  1.0
  Cl  Cl14  1  0.867  0.750  0.832  1.0
  Cl  Cl15  1  0.633  0.750  0.332  1.0
  Cl  Cl16  1  0.644  0.250  0.264  1.0
  Cl  Cl17  1  0.856  0.250  0.764  1.0
  Cl  Cl18  1  0.356  0.750  0.736  1.0
  Cl  Cl19  1  0.144  0.750  0.236  1.0
  Cl  Cl20  1  0.766  0.985  0.119  1.0
  Cl  Cl21  1  0.734  0.515  0.619  1.0
  Cl  Cl22  1  0.234  0.485  0.881  1.0
  Cl  Cl23  1  0.266  0.015  0.381  1.0
  Cl  Cl24  1  0.234  0.015  0.881  1.0
  Cl  Cl25  1  0.266  0.485  0.381  1.0
  Cl  Cl26  1  0.766  0.515  0.119  1.0
  Cl  Cl27  1  0.734  0.985  0.619  1.0
  Cl  Cl28  1  0.594  0.250  0.978  1.0
  Cl  Cl29  1  0.906  0.250  0.478  1.0
  Cl  Cl30  1  0.406  0.750  0.022  1.0
  Cl  Cl31  1  0.094  0.750  0.522  1.0
  O  O32  1  0.958  0.250  0.994  1.0
  O  O33  1  0.542  0.250  0.494  1.0
  O  O34  1  0.042  0.750  0.006  1.0
  O  O35  1  0.458  0.750  0.506  1.0
  O  O36  1  0.210  0.549  0.134  1.0
  O  O37  1  0.290  0.951  0.634  1.0
  O  O38  1  0.790  0.049  0.866  1.0
  O  O39  1  0.710  0.451  0.366  1.0
  O  O40  1  0.790  0.451  0.866  1.0
  O  O41  1  0.710  0.049  0.366  1.0
  O  O42  1  0.210  0.951  0.134  1.0
  O  O43  1  0.290  0.549  0.634  1.0
[/CIF]
.