The material described by KEr(SO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(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 S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Er(1), and one S(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one Er(1), and one S(2) atom. In the third O site, O(7) is bonded in a 1-coordinate geometry to two equivalent K(1), one Er(1), and one S(2) atom. In the fourth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent K(1), one Er(1), and one S(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Er(1), and one S(1) atom. In the sixth O site, O(2) is bonded in a distorted linear geometry to one Er(1) and one S(1) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one S(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KEr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.501
_cell_length_b   5.496
_cell_length_c   10.180
_cell_angle_alpha   60.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.829
_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
  K  K0  1  0.088  0.590  0.656  1.0
  K  K1  1  0.588  0.410  0.844  1.0
  K  K2  1  0.912  0.410  0.344  1.0
  K  K3  1  0.412  0.590  0.156  1.0
  Er  Er4  1  0.349  0.090  0.687  1.0
  Er  Er5  1  0.849  0.910  0.813  1.0
  Er  Er6  1  0.651  0.910  0.313  1.0
  Er  Er7  1  0.151  0.090  0.187  1.0
  S  S8  1  0.117  0.823  0.920  1.0
  S  S9  1  0.617  0.177  0.580  1.0
  S  S10  1  0.883  0.177  0.080  1.0
  S  S11  1  0.383  0.823  0.420  1.0
  S  S12  1  0.337  0.360  0.887  1.0
  S  S13  1  0.837  0.640  0.613  1.0
  S  S14  1  0.663  0.640  0.113  1.0
  S  S15  1  0.163  0.360  0.387  1.0
  O  O16  1  0.033  0.936  0.811  1.0
  O  O17  1  0.533  0.064  0.689  1.0
  O  O18  1  0.967  0.064  0.189  1.0
  O  O19  1  0.467  0.936  0.311  1.0
  O  O20  1  0.379  0.969  0.510  1.0
  O  O21  1  0.879  0.031  0.990  1.0
  O  O22  1  0.621  0.031  0.490  1.0
  O  O23  1  0.121  0.969  0.010  1.0
  O  O24  1  0.101  0.520  0.022  1.0
  O  O25  1  0.601  0.480  0.478  1.0
  O  O26  1  0.899  0.480  0.978  1.0
  O  O27  1  0.399  0.520  0.522  1.0
  O  O28  1  0.211  0.864  0.837  1.0
  O  O29  1  0.711  0.136  0.663  1.0
  O  O30  1  0.789  0.136  0.163  1.0
  O  O31  1  0.289  0.864  0.337  1.0
  O  O32  1  0.233  0.416  0.264  1.0
  O  O33  1  0.733  0.584  0.236  1.0
  O  O34  1  0.767  0.584  0.736  1.0
  O  O35  1  0.267  0.416  0.764  1.0
  O  O36  1  0.291  0.258  0.036  1.0
  O  O37  1  0.791  0.742  0.464  1.0
  O  O38  1  0.709  0.742  0.964  1.0
  O  O39  1  0.209  0.258  0.536  1.0
  O  O40  1  0.103  0.615  0.352  1.0
  O  O41  1  0.603  0.385  0.148  1.0
  O  O42  1  0.897  0.385  0.648  1.0
  O  O43  1  0.397  0.615  0.852  1.0
  O  O44  1  0.094  0.139  0.393  1.0
  O  O45  1  0.594  0.861  0.107  1.0
  O  O46  1  0.906  0.861  0.607  1.0
  O  O47  1  0.406  0.139  0.893  1.0
[/CIF]
.
The material described by KEr(SO4)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(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 S site, S(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Er(1), and one S(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one Er(1), and one S(2) atom. In the third O site, O(7) is bonded in a 1-coordinate geometry to two equivalent K(1), one Er(1), and one S(2) atom. In the fourth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent K(1), one Er(1), and one S(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Er(1), and one S(1) atom. In the sixth O site, O(2) is bonded in a distorted linear geometry to one Er(1) and one S(1) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one Er(1) and one S(1) atom. In the eighth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KEr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.501
_cell_length_b   5.496
_cell_length_c   10.180
_cell_angle_alpha   60.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.829
_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
  K  K0  1  0.088  0.590  0.656  1.0
  K  K1  1  0.588  0.410  0.844  1.0
  K  K2  1  0.912  0.410  0.344  1.0
  K  K3  1  0.412  0.590  0.156  1.0
  Er  Er4  1  0.349  0.090  0.687  1.0
  Er  Er5  1  0.849  0.910  0.813  1.0
  Er  Er6  1  0.651  0.910  0.313  1.0
  Er  Er7  1  0.151  0.090  0.187  1.0
  S  S8  1  0.117  0.823  0.920  1.0
  S  S9  1  0.617  0.177  0.580  1.0
  S  S10  1  0.883  0.177  0.080  1.0
  S  S11  1  0.383  0.823  0.420  1.0
  S  S12  1  0.337  0.360  0.887  1.0
  S  S13  1  0.837  0.640  0.613  1.0
  S  S14  1  0.663  0.640  0.113  1.0
  S  S15  1  0.163  0.360  0.387  1.0
  O  O16  1  0.033  0.936  0.811  1.0
  O  O17  1  0.533  0.064  0.689  1.0
  O  O18  1  0.967  0.064  0.189  1.0
  O  O19  1  0.467  0.936  0.311  1.0
  O  O20  1  0.379  0.969  0.510  1.0
  O  O21  1  0.879  0.031  0.990  1.0
  O  O22  1  0.621  0.031  0.490  1.0
  O  O23  1  0.121  0.969  0.010  1.0
  O  O24  1  0.101  0.520  0.022  1.0
  O  O25  1  0.601  0.480  0.478  1.0
  O  O26  1  0.899  0.480  0.978  1.0
  O  O27  1  0.399  0.520  0.522  1.0
  O  O28  1  0.211  0.864  0.837  1.0
  O  O29  1  0.711  0.136  0.663  1.0
  O  O30  1  0.789  0.136  0.163  1.0
  O  O31  1  0.289  0.864  0.337  1.0
  O  O32  1  0.233  0.416  0.264  1.0
  O  O33  1  0.733  0.584  0.236  1.0
  O  O34  1  0.767  0.584  0.736  1.0
  O  O35  1  0.267  0.416  0.764  1.0
  O  O36  1  0.291  0.258  0.036  1.0
  O  O37  1  0.791  0.742  0.464  1.0
  O  O38  1  0.709  0.742  0.964  1.0
  O  O39  1  0.209  0.258  0.536  1.0
  O  O40  1  0.103  0.615  0.352  1.0
  O  O41  1  0.603  0.385  0.148  1.0
  O  O42  1  0.897  0.385  0.648  1.0
  O  O43  1  0.397  0.615  0.852  1.0
  O  O44  1  0.094  0.139  0.393  1.0
  O  O45  1  0.594  0.861  0.107  1.0
  O  O46  1  0.906  0.861  0.607  1.0
  O  O47  1  0.406  0.139  0.893  1.0
[/CIF]
.