The crystal structure described by RbZn2HSe2O7 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(7) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Rb(1), one Zn(1), one Zn(2), and one H(1) atom. is represented by the CIF file [CIF]
data_RbZn2HSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   7.588
_cell_length_c   12.114
_cell_angle_alpha   82.158
_cell_angle_beta   78.007
_cell_angle_gamma   70.813
_symmetry_Int_Tables_number   1
_cell_volume   425.868
_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  0.325  0.622  0.709  1.0
  Rb  Rb1  1  0.675  0.378  0.291  1.0
  Zn  Zn2  1  0.655  0.703  0.925  1.0
  Zn  Zn3  1  0.345  0.297  0.075  1.0
  Zn  Zn4  1  0.657  0.991  0.643  1.0
  Zn  Zn5  1  0.343  0.009  0.357  1.0
  H  H6  1  0.421  0.981  0.155  1.0
  H  H7  1  0.579  0.019  0.845  1.0
  Se  Se8  1  0.951  0.259  0.906  1.0
  Se  Se9  1  0.049  0.741  0.094  1.0
  Se  Se10  1  0.944  0.743  0.426  1.0
  Se  Se11  1  0.056  0.257  0.574  1.0
  O  O12  1  0.243  0.703  0.960  1.0
  O  O13  1  0.757  0.297  0.040  1.0
  O  O14  1  0.850  0.480  0.836  1.0
  O  O15  1  0.150  0.520  0.164  1.0
  O  O16  1  0.709  0.763  0.070  1.0
  O  O17  1  0.291  0.237  0.930  1.0
  O  O18  1  0.751  0.962  0.377  1.0
  O  O19  1  0.249  0.038  0.623  1.0
  O  O20  1  0.713  0.239  0.602  1.0
  O  O21  1  0.287  0.761  0.398  1.0
  O  O22  1  0.852  0.750  0.572  1.0
  O  O23  1  0.148  0.250  0.428  1.0
  O  O24  1  0.668  0.905  0.804  1.0
  O  O25  1  0.332  0.095  0.196  1.0
[/CIF]
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The crystal structure described by RbZn2HSe2O7 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. H(1) is bonded in a single-bond geometry to one O(7) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(1), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(2), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Zn(2), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(2), and one Se(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Rb(1), one Zn(1), one Zn(2), and one H(1) atom. is represented by the CIF file [CIF]
data_RbZn2HSe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.029
_cell_length_b   7.588
_cell_length_c   12.114
_cell_angle_alpha   82.158
_cell_angle_beta   78.007
_cell_angle_gamma   70.813
_symmetry_Int_Tables_number   1
_cell_volume   425.868
_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  0.325  0.622  0.709  1.0
  Rb  Rb1  1  0.675  0.378  0.291  1.0
  Zn  Zn2  1  0.655  0.703  0.925  1.0
  Zn  Zn3  1  0.345  0.297  0.075  1.0
  Zn  Zn4  1  0.657  0.991  0.643  1.0
  Zn  Zn5  1  0.343  0.009  0.357  1.0
  H  H6  1  0.421  0.981  0.155  1.0
  H  H7  1  0.579  0.019  0.845  1.0
  Se  Se8  1  0.951  0.259  0.906  1.0
  Se  Se9  1  0.049  0.741  0.094  1.0
  Se  Se10  1  0.944  0.743  0.426  1.0
  Se  Se11  1  0.056  0.257  0.574  1.0
  O  O12  1  0.243  0.703  0.960  1.0
  O  O13  1  0.757  0.297  0.040  1.0
  O  O14  1  0.850  0.480  0.836  1.0
  O  O15  1  0.150  0.520  0.164  1.0
  O  O16  1  0.709  0.763  0.070  1.0
  O  O17  1  0.291  0.237  0.930  1.0
  O  O18  1  0.751  0.962  0.377  1.0
  O  O19  1  0.249  0.038  0.623  1.0
  O  O20  1  0.713  0.239  0.602  1.0
  O  O21  1  0.287  0.761  0.398  1.0
  O  O22  1  0.852  0.750  0.572  1.0
  O  O23  1  0.148  0.250  0.428  1.0
  O  O24  1  0.668  0.905  0.804  1.0
  O  O25  1  0.332  0.095  0.196  1.0
[/CIF]
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