The structure described by LaH3(SO4)3 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(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(4) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the second O site, O(1) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH3(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.613
_cell_length_b   9.613
_cell_length_c   6.003
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   480.384
_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
  La  La0  1  0.667  0.333  0.748  1.0
  La  La1  1  0.333  0.667  0.248  1.0
  H  H2  1  0.933  0.776  0.861  1.0
  H  H3  1  0.843  0.067  0.861  1.0
  H  H4  1  0.224  0.157  0.861  1.0
  H  H5  1  0.067  0.224  0.361  1.0
  H  H6  1  0.157  0.933  0.361  1.0
  H  H7  1  0.776  0.843  0.361  1.0
  S  S8  1  0.095  0.699  0.753  1.0
  S  S9  1  0.604  0.905  0.753  1.0
  S  S10  1  0.301  0.396  0.753  1.0
  S  S11  1  0.905  0.301  0.253  1.0
  S  S12  1  0.396  0.095  0.253  1.0
  S  S13  1  0.699  0.604  0.253  1.0
  O  O14  1  0.018  0.813  0.748  1.0
  O  O15  1  0.795  0.982  0.748  1.0
  O  O16  1  0.187  0.205  0.748  1.0
  O  O17  1  0.982  0.187  0.248  1.0
  O  O18  1  0.205  0.018  0.248  1.0
  O  O19  1  0.813  0.795  0.248  1.0
  O  O20  1  0.965  0.533  0.753  1.0
  O  O21  1  0.568  0.035  0.753  1.0
  O  O22  1  0.467  0.432  0.753  1.0
  O  O23  1  0.035  0.467  0.253  1.0
  O  O24  1  0.432  0.965  0.253  1.0
  O  O25  1  0.533  0.568  0.253  1.0
  O  O26  1  0.442  0.191  0.048  1.0
  O  O27  1  0.749  0.558  0.048  1.0
  O  O28  1  0.809  0.251  0.048  1.0
  O  O29  1  0.558  0.809  0.548  1.0
  O  O30  1  0.251  0.442  0.548  1.0
  O  O31  1  0.191  0.749  0.548  1.0
  O  O32  1  0.547  0.806  0.953  1.0
  O  O33  1  0.259  0.453  0.953  1.0
  O  O34  1  0.194  0.741  0.953  1.0
  O  O35  1  0.453  0.194  0.453  1.0
  O  O36  1  0.741  0.547  0.453  1.0
  O  O37  1  0.806  0.259  0.453  1.0
[/CIF]
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The structure described by LaH3(SO4)3 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. S(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(4) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the second O site, O(1) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH3(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.613
_cell_length_b   9.613
_cell_length_c   6.003
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   480.384
_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
  La  La0  1  0.667  0.333  0.748  1.0
  La  La1  1  0.333  0.667  0.248  1.0
  H  H2  1  0.933  0.776  0.861  1.0
  H  H3  1  0.843  0.067  0.861  1.0
  H  H4  1  0.224  0.157  0.861  1.0
  H  H5  1  0.067  0.224  0.361  1.0
  H  H6  1  0.157  0.933  0.361  1.0
  H  H7  1  0.776  0.843  0.361  1.0
  S  S8  1  0.095  0.699  0.753  1.0
  S  S9  1  0.604  0.905  0.753  1.0
  S  S10  1  0.301  0.396  0.753  1.0
  S  S11  1  0.905  0.301  0.253  1.0
  S  S12  1  0.396  0.095  0.253  1.0
  S  S13  1  0.699  0.604  0.253  1.0
  O  O14  1  0.018  0.813  0.748  1.0
  O  O15  1  0.795  0.982  0.748  1.0
  O  O16  1  0.187  0.205  0.748  1.0
  O  O17  1  0.982  0.187  0.248  1.0
  O  O18  1  0.205  0.018  0.248  1.0
  O  O19  1  0.813  0.795  0.248  1.0
  O  O20  1  0.965  0.533  0.753  1.0
  O  O21  1  0.568  0.035  0.753  1.0
  O  O22  1  0.467  0.432  0.753  1.0
  O  O23  1  0.035  0.467  0.253  1.0
  O  O24  1  0.432  0.965  0.253  1.0
  O  O25  1  0.533  0.568  0.253  1.0
  O  O26  1  0.442  0.191  0.048  1.0
  O  O27  1  0.749  0.558  0.048  1.0
  O  O28  1  0.809  0.251  0.048  1.0
  O  O29  1  0.558  0.809  0.548  1.0
  O  O30  1  0.251  0.442  0.548  1.0
  O  O31  1  0.191  0.749  0.548  1.0
  O  O32  1  0.547  0.806  0.953  1.0
  O  O33  1  0.259  0.453  0.953  1.0
  O  O34  1  0.194  0.741  0.953  1.0
  O  O35  1  0.453  0.194  0.453  1.0
  O  O36  1  0.741  0.547  0.453  1.0
  O  O37  1  0.806  0.259  0.453  1.0
[/CIF]
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