The compound described by KErHSe2O9 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(8), one O(9), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. H(1) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent Se sites. In the first Se site, Se(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 Se site, Se(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Er(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Er(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Er(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one Er(1), and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(1), one Er(1), and one H(1) atom. is represented by the CIF card [CIF]
data_KErHSe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   8.612
_cell_length_c   9.404
_cell_angle_alpha   70.292
_cell_angle_beta   84.257
_cell_angle_gamma   74.653
_symmetry_Int_Tables_number   1
_cell_volume   423.583
_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
  K  K0  1  0.235  0.779  0.983  1.0
  K  K1  1  0.765  0.221  0.017  1.0
  Er  Er2  1  0.644  0.631  0.606  1.0
  Er  Er3  1  0.356  0.369  0.394  1.0
  H  H4  1  0.325  0.102  0.261  1.0
  H  H5  1  0.675  0.898  0.739  1.0
  Se  Se6  1  0.113  0.827  0.370  1.0
  Se  Se7  1  0.887  0.173  0.630  1.0
  Se  Se8  1  0.783  0.551  0.216  1.0
  Se  Se9  1  0.217  0.449  0.784  1.0
  O  O10  1  0.199  0.663  0.301  1.0
  O  O11  1  0.801  0.337  0.699  1.0
  O  O12  1  0.097  0.004  0.226  1.0
  O  O13  1  0.903  0.996  0.774  1.0
  O  O14  1  0.686  0.181  0.509  1.0
  O  O15  1  0.314  0.819  0.491  1.0
  O  O16  1  0.150  0.180  0.539  1.0
  O  O17  1  0.850  0.820  0.461  1.0
  O  O18  1  0.742  0.748  0.101  1.0
  O  O19  1  0.258  0.252  0.899  1.0
  O  O20  1  0.590  0.455  0.177  1.0
  O  O21  1  0.410  0.545  0.823  1.0
  O  O22  1  0.712  0.533  0.400  1.0
  O  O23  1  0.288  0.467  0.600  1.0
  O  O24  1  0.066  0.433  0.208  1.0
  O  O25  1  0.934  0.567  0.792  1.0
  O  O26  1  0.454  0.157  0.268  1.0
  O  O27  1  0.546  0.843  0.732  1.0
[/CIF]
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The compound described by KErHSe2O9 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(1), one O(8), one O(9), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. H(1) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent Se sites. In the first Se site, Se(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 Se site, Se(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Er(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent K(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Er(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Er(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Er(1) and one Se(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one Er(1), and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(1), one Er(1), and one H(1) atom. is represented by the CIF card [CIF]
data_KErHSe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.762
_cell_length_b   8.612
_cell_length_c   9.404
_cell_angle_alpha   70.292
_cell_angle_beta   84.257
_cell_angle_gamma   74.653
_symmetry_Int_Tables_number   1
_cell_volume   423.583
_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
  K  K0  1  0.235  0.779  0.983  1.0
  K  K1  1  0.765  0.221  0.017  1.0
  Er  Er2  1  0.644  0.631  0.606  1.0
  Er  Er3  1  0.356  0.369  0.394  1.0
  H  H4  1  0.325  0.102  0.261  1.0
  H  H5  1  0.675  0.898  0.739  1.0
  Se  Se6  1  0.113  0.827  0.370  1.0
  Se  Se7  1  0.887  0.173  0.630  1.0
  Se  Se8  1  0.783  0.551  0.216  1.0
  Se  Se9  1  0.217  0.449  0.784  1.0
  O  O10  1  0.199  0.663  0.301  1.0
  O  O11  1  0.801  0.337  0.699  1.0
  O  O12  1  0.097  0.004  0.226  1.0
  O  O13  1  0.903  0.996  0.774  1.0
  O  O14  1  0.686  0.181  0.509  1.0
  O  O15  1  0.314  0.819  0.491  1.0
  O  O16  1  0.150  0.180  0.539  1.0
  O  O17  1  0.850  0.820  0.461  1.0
  O  O18  1  0.742  0.748  0.101  1.0
  O  O19  1  0.258  0.252  0.899  1.0
  O  O20  1  0.590  0.455  0.177  1.0
  O  O21  1  0.410  0.545  0.823  1.0
  O  O22  1  0.712  0.533  0.400  1.0
  O  O23  1  0.288  0.467  0.600  1.0
  O  O24  1  0.066  0.433  0.208  1.0
  O  O25  1  0.934  0.567  0.792  1.0
  O  O26  1  0.454  0.157  0.268  1.0
  O  O27  1  0.546  0.843  0.732  1.0
[/CIF]
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