The material described by ZnH6(SeO4)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one H(3), and one Se(1) atom. is represented by the CIF file [CIF]
data_ZnH6(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.994
_cell_length_b   7.236
_cell_length_c   8.546
_cell_angle_alpha   61.143
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.792
_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
  Zn  Zn0  1  0.500  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.338  0.205  0.917  1.0
  H  H3  1  0.522  0.501  0.737  1.0
  H  H4  1  0.022  0.499  0.763  1.0
  H  H5  1  0.788  0.889  0.376  1.0
  H  H6  1  0.838  0.795  0.583  1.0
  H  H7  1  0.288  0.111  0.124  1.0
  H  H8  1  0.712  0.889  0.876  1.0
  H  H9  1  0.162  0.205  0.417  1.0
  H  H10  1  0.212  0.111  0.624  1.0
  H  H11  1  0.978  0.501  0.237  1.0
  H  H12  1  0.478  0.499  0.263  1.0
  H  H13  1  0.662  0.795  0.083  1.0
  Se  Se14  1  0.271  0.675  0.375  1.0
  Se  Se15  1  0.229  0.675  0.875  1.0
  Se  Se16  1  0.771  0.325  0.125  1.0
  Se  Se17  1  0.729  0.325  0.625  1.0
  O  O18  1  0.923  0.281  0.760  1.0
  O  O19  1  0.234  0.192  1.000  1.0
  O  O20  1  0.539  0.351  0.761  1.0
  O  O21  1  0.039  0.649  0.739  1.0
  O  O22  1  0.734  0.808  0.500  1.0
  O  O23  1  0.333  0.922  0.334  1.0
  O  O24  1  0.423  0.719  0.740  1.0
  O  O25  1  0.833  0.078  0.166  1.0
  O  O26  1  0.167  0.922  0.834  1.0
  O  O27  1  0.577  0.281  0.260  1.0
  O  O28  1  0.667  0.078  0.666  1.0
  O  O29  1  0.266  0.192  0.500  1.0
  O  O30  1  0.961  0.351  0.261  1.0
  O  O31  1  0.461  0.649  0.239  1.0
  O  O32  1  0.766  0.808  0.000  1.0
  O  O33  1  0.077  0.719  0.240  1.0
[/CIF]
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The material described by ZnH6(SeO4)2 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(3) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Zn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one H(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one H(3), and one Se(1) atom. is represented by the CIF file [CIF]
data_ZnH6(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.994
_cell_length_b   7.236
_cell_length_c   8.546
_cell_angle_alpha   61.143
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.792
_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
  Zn  Zn0  1  0.500  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.338  0.205  0.917  1.0
  H  H3  1  0.522  0.501  0.737  1.0
  H  H4  1  0.022  0.499  0.763  1.0
  H  H5  1  0.788  0.889  0.376  1.0
  H  H6  1  0.838  0.795  0.583  1.0
  H  H7  1  0.288  0.111  0.124  1.0
  H  H8  1  0.712  0.889  0.876  1.0
  H  H9  1  0.162  0.205  0.417  1.0
  H  H10  1  0.212  0.111  0.624  1.0
  H  H11  1  0.978  0.501  0.237  1.0
  H  H12  1  0.478  0.499  0.263  1.0
  H  H13  1  0.662  0.795  0.083  1.0
  Se  Se14  1  0.271  0.675  0.375  1.0
  Se  Se15  1  0.229  0.675  0.875  1.0
  Se  Se16  1  0.771  0.325  0.125  1.0
  Se  Se17  1  0.729  0.325  0.625  1.0
  O  O18  1  0.923  0.281  0.760  1.0
  O  O19  1  0.234  0.192  1.000  1.0
  O  O20  1  0.539  0.351  0.761  1.0
  O  O21  1  0.039  0.649  0.739  1.0
  O  O22  1  0.734  0.808  0.500  1.0
  O  O23  1  0.333  0.922  0.334  1.0
  O  O24  1  0.423  0.719  0.740  1.0
  O  O25  1  0.833  0.078  0.166  1.0
  O  O26  1  0.167  0.922  0.834  1.0
  O  O27  1  0.577  0.281  0.260  1.0
  O  O28  1  0.667  0.078  0.666  1.0
  O  O29  1  0.266  0.192  0.500  1.0
  O  O30  1  0.961  0.351  0.261  1.0
  O  O31  1  0.461  0.649  0.239  1.0
  O  O32  1  0.766  0.808  0.000  1.0
  O  O33  1  0.077  0.719  0.240  1.0
[/CIF]
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