The compound described by ErH2O13Cl3 crystallizes in the triclinic P-1 space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cl(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Cl(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Cl(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cl(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cl(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(3) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Er(1), one H(1), and one H(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cl site, Cl(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third Cl site, Cl(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(9) atom. is represented by the CIF card [CIF]
data_ErH2Cl3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.961
_cell_length_b   8.050
_cell_length_c   9.726
_cell_angle_alpha   76.674
_cell_angle_beta   75.600
_cell_angle_gamma   77.319
_symmetry_Int_Tables_number   1
_cell_volume   506.042
_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
  Er  Er0  1  0.866  0.324  0.311  1.0
  Er  Er1  1  0.134  0.676  0.689  1.0
  H  H2  1  0.802  0.023  0.209  1.0
  H  H3  1  0.198  0.977  0.791  1.0
  H  H4  1  0.683  0.188  0.124  1.0
  H  H5  1  0.317  0.812  0.876  1.0
  Cl  Cl6  1  0.703  0.679  0.523  1.0
  Cl  Cl7  1  0.297  0.321  0.477  1.0
  Cl  Cl8  1  0.210  0.900  0.308  1.0
  Cl  Cl9  1  0.790  0.100  0.692  1.0
  Cl  Cl10  1  0.271  0.332  0.991  1.0
  Cl  Cl11  1  0.729  0.668  0.009  1.0
  O  O12  1  0.734  0.582  0.405  1.0
  O  O13  1  0.266  0.418  0.595  1.0
  O  O14  1  0.478  0.361  0.371  1.0
  O  O15  1  0.522  0.639  0.629  1.0
  O  O16  1  0.875  0.615  0.595  1.0
  O  O17  1  0.125  0.385  0.405  1.0
  O  O18  1  0.688  0.860  0.465  1.0
  O  O19  1  0.312  0.140  0.535  1.0
  O  O20  1  0.074  0.062  0.342  1.0
  O  O21  1  0.926  0.938  0.658  1.0
  O  O22  1  0.767  0.213  0.551  1.0
  O  O23  1  0.233  0.787  0.449  1.0
  O  O24  1  0.403  0.939  0.231  1.0
  O  O25  1  0.597  0.061  0.769  1.0
  O  O26  1  0.118  0.817  0.232  1.0
  O  O27  1  0.882  0.183  0.768  1.0
  O  O28  1  0.130  0.393  0.119  1.0
  O  O29  1  0.870  0.607  0.881  1.0
  O  O30  1  0.469  0.280  0.020  1.0
  O  O31  1  0.531  0.720  0.980  1.0
  O  O32  1  0.198  0.197  0.956  1.0
  O  O33  1  0.802  0.803  0.044  1.0
  O  O34  1  0.275  0.483  0.871  1.0
  O  O35  1  0.725  0.517  0.129  1.0
  O  O36  1  0.776  0.150  0.190  1.0
  O  O37  1  0.224  0.850  0.810  1.0
[/CIF]
.
The compound described by ErH2O13Cl3 crystallizes in the triclinic P-1 space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cl(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Cl(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Cl(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cl(3) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cl(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Er(1) and one Cl(3) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Er(1), one H(1), and one H(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cl site, Cl(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the third Cl site, Cl(3) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(12), and one O(9) atom. is represented by the CIF card [CIF]
data_ErH2Cl3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.961
_cell_length_b   8.050
_cell_length_c   9.726
_cell_angle_alpha   76.674
_cell_angle_beta   75.600
_cell_angle_gamma   77.319
_symmetry_Int_Tables_number   1
_cell_volume   506.042
_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
  Er  Er0  1  0.866  0.324  0.311  1.0
  Er  Er1  1  0.134  0.676  0.689  1.0
  H  H2  1  0.802  0.023  0.209  1.0
  H  H3  1  0.198  0.977  0.791  1.0
  H  H4  1  0.683  0.188  0.124  1.0
  H  H5  1  0.317  0.812  0.876  1.0
  Cl  Cl6  1  0.703  0.679  0.523  1.0
  Cl  Cl7  1  0.297  0.321  0.477  1.0
  Cl  Cl8  1  0.210  0.900  0.308  1.0
  Cl  Cl9  1  0.790  0.100  0.692  1.0
  Cl  Cl10  1  0.271  0.332  0.991  1.0
  Cl  Cl11  1  0.729  0.668  0.009  1.0
  O  O12  1  0.734  0.582  0.405  1.0
  O  O13  1  0.266  0.418  0.595  1.0
  O  O14  1  0.478  0.361  0.371  1.0
  O  O15  1  0.522  0.639  0.629  1.0
  O  O16  1  0.875  0.615  0.595  1.0
  O  O17  1  0.125  0.385  0.405  1.0
  O  O18  1  0.688  0.860  0.465  1.0
  O  O19  1  0.312  0.140  0.535  1.0
  O  O20  1  0.074  0.062  0.342  1.0
  O  O21  1  0.926  0.938  0.658  1.0
  O  O22  1  0.767  0.213  0.551  1.0
  O  O23  1  0.233  0.787  0.449  1.0
  O  O24  1  0.403  0.939  0.231  1.0
  O  O25  1  0.597  0.061  0.769  1.0
  O  O26  1  0.118  0.817  0.232  1.0
  O  O27  1  0.882  0.183  0.768  1.0
  O  O28  1  0.130  0.393  0.119  1.0
  O  O29  1  0.870  0.607  0.881  1.0
  O  O30  1  0.469  0.280  0.020  1.0
  O  O31  1  0.531  0.720  0.980  1.0
  O  O32  1  0.198  0.197  0.956  1.0
  O  O33  1  0.802  0.803  0.044  1.0
  O  O34  1  0.275  0.483  0.871  1.0
  O  O35  1  0.725  0.517  0.129  1.0
  O  O36  1  0.776  0.150  0.190  1.0
  O  O37  1  0.224  0.850  0.810  1.0
[/CIF]
.