The compound described by Rb3H(SeO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Rb(1), one H(1), and one Se(1) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_Rb3H(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.532
_cell_length_b   8.532
_cell_length_c   10.690
_cell_angle_alpha   77.971
_cell_angle_beta   77.971
_cell_angle_gamma   42.863
_symmetry_Int_Tables_number   1
_cell_volume   515.919
_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
  Rb  Rb0  1  0.079  0.537  0.152  1.0
  Rb  Rb1  1  0.463  0.921  0.348  1.0
  Rb  Rb2  1  0.921  0.463  0.848  1.0
  Rb  Rb3  1  0.537  0.079  0.652  1.0
  Rb  Rb4  1  0.247  0.753  0.750  1.0
  Rb  Rb5  1  0.753  0.247  0.250  1.0
  H  H6  1  0.000  0.000  0.500  1.0
  H  H7  1  0.000  0.000  0.000  1.0
  Se  Se8  1  0.662  0.106  0.963  1.0
  Se  Se9  1  0.894  0.338  0.537  1.0
  Se  Se10  1  0.338  0.894  0.037  1.0
  Se  Se11  1  0.106  0.662  0.463  1.0
  O  O12  1  0.425  0.324  0.887  1.0
  O  O13  1  0.676  0.575  0.613  1.0
  O  O14  1  0.575  0.676  0.113  1.0
  O  O15  1  0.324  0.425  0.387  1.0
  O  O16  1  0.604  0.086  0.121  1.0
  O  O17  1  0.914  0.396  0.379  1.0
  O  O18  1  0.396  0.914  0.879  1.0
  O  O19  1  0.086  0.604  0.621  1.0
  O  O20  1  0.856  0.830  0.400  1.0
  O  O21  1  0.170  0.144  0.100  1.0
  O  O22  1  0.144  0.170  0.600  1.0
  O  O23  1  0.830  0.856  0.900  1.0
  O  O24  1  0.162  0.825  0.444  1.0
  O  O25  1  0.175  0.838  0.056  1.0
  O  O26  1  0.838  0.175  0.556  1.0
  O  O27  1  0.825  0.162  0.944  1.0
[/CIF]
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The compound described by Rb3H(SeO4)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. H(1) is bonded in a linear geometry to two equivalent O(4) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one Se(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Rb(1), one H(1), and one Se(1) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one Se(1) atom. is represented by the CIF card [CIF]
data_Rb3H(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.532
_cell_length_b   8.532
_cell_length_c   10.690
_cell_angle_alpha   77.971
_cell_angle_beta   77.971
_cell_angle_gamma   42.863
_symmetry_Int_Tables_number   1
_cell_volume   515.919
_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
  Rb  Rb0  1  0.079  0.537  0.152  1.0
  Rb  Rb1  1  0.463  0.921  0.348  1.0
  Rb  Rb2  1  0.921  0.463  0.848  1.0
  Rb  Rb3  1  0.537  0.079  0.652  1.0
  Rb  Rb4  1  0.247  0.753  0.750  1.0
  Rb  Rb5  1  0.753  0.247  0.250  1.0
  H  H6  1  0.000  0.000  0.500  1.0
  H  H7  1  0.000  0.000  0.000  1.0
  Se  Se8  1  0.662  0.106  0.963  1.0
  Se  Se9  1  0.894  0.338  0.537  1.0
  Se  Se10  1  0.338  0.894  0.037  1.0
  Se  Se11  1  0.106  0.662  0.463  1.0
  O  O12  1  0.425  0.324  0.887  1.0
  O  O13  1  0.676  0.575  0.613  1.0
  O  O14  1  0.575  0.676  0.113  1.0
  O  O15  1  0.324  0.425  0.387  1.0
  O  O16  1  0.604  0.086  0.121  1.0
  O  O17  1  0.914  0.396  0.379  1.0
  O  O18  1  0.396  0.914  0.879  1.0
  O  O19  1  0.086  0.604  0.621  1.0
  O  O20  1  0.856  0.830  0.400  1.0
  O  O21  1  0.170  0.144  0.100  1.0
  O  O22  1  0.144  0.170  0.600  1.0
  O  O23  1  0.830  0.856  0.900  1.0
  O  O24  1  0.162  0.825  0.444  1.0
  O  O25  1  0.175  0.838  0.056  1.0
  O  O26  1  0.838  0.175  0.556  1.0
  O  O27  1  0.825  0.162  0.944  1.0
[/CIF]
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