The material described by BeH8SO8 crystallizes in the tetragonal I-4c2 space group. Be(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. S(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Be(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one H(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_BeH8SO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.734
_cell_length_b   7.734
_cell_length_c   7.734
_cell_angle_alpha   115.978
_cell_angle_beta   115.978
_cell_angle_gamma   97.120
_symmetry_Int_Tables_number   1
_cell_volume   344.104
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.668  0.015  0.910  1.0
  H  H3  1  0.104  0.758  0.090  1.0
  H  H4  1  0.485  0.832  0.090  1.0
  H  H5  1  0.742  0.396  0.910  1.0
  H  H6  1  0.168  0.258  0.654  1.0
  H  H7  1  0.604  0.515  0.346  1.0
  H  H8  1  0.242  0.332  0.346  1.0
  H  H9  1  0.985  0.896  0.654  1.0
  H  H10  1  0.838  0.114  0.188  1.0
  H  H11  1  0.926  0.650  0.812  1.0
  H  H12  1  0.386  0.662  0.812  1.0
  H  H13  1  0.850  0.574  0.188  1.0
  H  H14  1  0.338  0.150  0.724  1.0
  H  H15  1  0.426  0.614  0.276  1.0
  H  H16  1  0.350  0.162  0.276  1.0
  H  H17  1  0.886  0.074  0.724  1.0
  S  S18  1  0.250  0.750  0.500  1.0
  S  S19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.815  0.054  0.031  1.0
  O  O21  1  0.023  0.784  0.969  1.0
  O  O22  1  0.446  0.685  0.969  1.0
  O  O23  1  0.716  0.477  0.031  1.0
  O  O24  1  0.315  0.284  0.761  1.0
  O  O25  1  0.523  0.554  0.239  1.0
  O  O26  1  0.216  0.185  0.239  1.0
  O  O27  1  0.946  0.977  0.761  1.0
  O  O28  1  0.414  0.959  0.707  1.0
  O  O29  1  0.252  0.706  0.293  1.0
  O  O30  1  0.541  0.086  0.293  1.0
  O  O31  1  0.794  0.248  0.707  1.0
  O  O32  1  0.914  0.206  0.455  1.0
  O  O33  1  0.752  0.459  0.545  1.0
  O  O34  1  0.294  0.586  0.545  1.0
  O  O35  1  0.041  0.748  0.455  1.0
[/CIF]
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The material described by BeH8SO8 crystallizes in the tetragonal I-4c2 space group. Be(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. S(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Be(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one H(1), one H(2), and one S(1) atom. is represented by the CIF file [CIF]
data_BeH8SO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.734
_cell_length_b   7.734
_cell_length_c   7.734
_cell_angle_alpha   115.978
_cell_angle_beta   115.978
_cell_angle_gamma   97.120
_symmetry_Int_Tables_number   1
_cell_volume   344.104
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Be  Be1  1  0.500  0.500  0.000  1.0
  H  H2  1  0.668  0.015  0.910  1.0
  H  H3  1  0.104  0.758  0.090  1.0
  H  H4  1  0.485  0.832  0.090  1.0
  H  H5  1  0.742  0.396  0.910  1.0
  H  H6  1  0.168  0.258  0.654  1.0
  H  H7  1  0.604  0.515  0.346  1.0
  H  H8  1  0.242  0.332  0.346  1.0
  H  H9  1  0.985  0.896  0.654  1.0
  H  H10  1  0.838  0.114  0.188  1.0
  H  H11  1  0.926  0.650  0.812  1.0
  H  H12  1  0.386  0.662  0.812  1.0
  H  H13  1  0.850  0.574  0.188  1.0
  H  H14  1  0.338  0.150  0.724  1.0
  H  H15  1  0.426  0.614  0.276  1.0
  H  H16  1  0.350  0.162  0.276  1.0
  H  H17  1  0.886  0.074  0.724  1.0
  S  S18  1  0.250  0.750  0.500  1.0
  S  S19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.815  0.054  0.031  1.0
  O  O21  1  0.023  0.784  0.969  1.0
  O  O22  1  0.446  0.685  0.969  1.0
  O  O23  1  0.716  0.477  0.031  1.0
  O  O24  1  0.315  0.284  0.761  1.0
  O  O25  1  0.523  0.554  0.239  1.0
  O  O26  1  0.216  0.185  0.239  1.0
  O  O27  1  0.946  0.977  0.761  1.0
  O  O28  1  0.414  0.959  0.707  1.0
  O  O29  1  0.252  0.706  0.293  1.0
  O  O30  1  0.541  0.086  0.293  1.0
  O  O31  1  0.794  0.248  0.707  1.0
  O  O32  1  0.914  0.206  0.455  1.0
  O  O33  1  0.752  0.459  0.545  1.0
  O  O34  1  0.294  0.586  0.545  1.0
  O  O35  1  0.041  0.748  0.455  1.0
[/CIF]
.