The material described by LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. La(1) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one La(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one La(1) and one Cl(1) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH6(ClO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   8.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   482.594
_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  0.250  1.0
  La  La1  1  0.333  0.667  0.750  1.0
  H  H2  1  0.651  0.549  0.656  1.0
  H  H3  1  0.549  0.651  0.156  1.0
  H  H4  1  0.102  0.451  0.156  1.0
  H  H5  1  0.651  0.549  0.844  1.0
  H  H6  1  0.349  0.898  0.156  1.0
  H  H7  1  0.898  0.349  0.656  1.0
  H  H8  1  0.451  0.102  0.844  1.0
  H  H9  1  0.349  0.898  0.344  1.0
  H  H10  1  0.451  0.102  0.656  1.0
  H  H11  1  0.898  0.349  0.844  1.0
  H  H12  1  0.102  0.451  0.344  1.0
  H  H13  1  0.549  0.651  0.344  1.0
  Cl  Cl14  1  0.762  0.000  0.000  1.0
  Cl  Cl15  1  0.238  0.238  0.500  1.0
  Cl  Cl16  1  0.000  0.762  0.000  1.0
  Cl  Cl17  1  0.762  0.000  0.500  1.0
  Cl  Cl18  1  0.000  0.762  0.500  1.0
  Cl  Cl19  1  0.238  0.238  0.000  1.0
  O  O20  1  0.978  0.411  0.750  1.0
  O  O21  1  0.187  0.749  0.511  1.0
  O  O22  1  0.562  0.813  0.989  1.0
  O  O23  1  0.749  0.187  0.011  1.0
  O  O24  1  0.589  0.567  0.750  1.0
  O  O25  1  0.438  0.251  0.011  1.0
  O  O26  1  0.567  0.589  0.250  1.0
  O  O27  1  0.251  0.438  0.511  1.0
  O  O28  1  0.813  0.562  0.011  1.0
  O  O29  1  0.813  0.562  0.489  1.0
  O  O30  1  0.251  0.438  0.989  1.0
  O  O31  1  0.749  0.187  0.489  1.0
  O  O32  1  0.411  0.978  0.250  1.0
  O  O33  1  0.022  0.433  0.250  1.0
  O  O34  1  0.438  0.251  0.489  1.0
  O  O35  1  0.562  0.813  0.511  1.0
  O  O36  1  0.187  0.749  0.989  1.0
  O  O37  1  0.433  0.022  0.750  1.0
[/CIF]
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The material described by LaH6(O3Cl)3 crystallizes in the hexagonal P-62c space group. La(1) is bonded in a distorted q6 geometry to three equivalent O(1) and six equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one La(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one La(1) and one Cl(1) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH6(ClO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.139
_cell_length_b   8.139
_cell_length_c   8.412
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   482.594
_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  0.250  1.0
  La  La1  1  0.333  0.667  0.750  1.0
  H  H2  1  0.651  0.549  0.656  1.0
  H  H3  1  0.549  0.651  0.156  1.0
  H  H4  1  0.102  0.451  0.156  1.0
  H  H5  1  0.651  0.549  0.844  1.0
  H  H6  1  0.349  0.898  0.156  1.0
  H  H7  1  0.898  0.349  0.656  1.0
  H  H8  1  0.451  0.102  0.844  1.0
  H  H9  1  0.349  0.898  0.344  1.0
  H  H10  1  0.451  0.102  0.656  1.0
  H  H11  1  0.898  0.349  0.844  1.0
  H  H12  1  0.102  0.451  0.344  1.0
  H  H13  1  0.549  0.651  0.344  1.0
  Cl  Cl14  1  0.762  0.000  0.000  1.0
  Cl  Cl15  1  0.238  0.238  0.500  1.0
  Cl  Cl16  1  0.000  0.762  0.000  1.0
  Cl  Cl17  1  0.762  0.000  0.500  1.0
  Cl  Cl18  1  0.000  0.762  0.500  1.0
  Cl  Cl19  1  0.238  0.238  0.000  1.0
  O  O20  1  0.978  0.411  0.750  1.0
  O  O21  1  0.187  0.749  0.511  1.0
  O  O22  1  0.562  0.813  0.989  1.0
  O  O23  1  0.749  0.187  0.011  1.0
  O  O24  1  0.589  0.567  0.750  1.0
  O  O25  1  0.438  0.251  0.011  1.0
  O  O26  1  0.567  0.589  0.250  1.0
  O  O27  1  0.251  0.438  0.511  1.0
  O  O28  1  0.813  0.562  0.011  1.0
  O  O29  1  0.813  0.562  0.489  1.0
  O  O30  1  0.251  0.438  0.989  1.0
  O  O31  1  0.749  0.187  0.489  1.0
  O  O32  1  0.411  0.978  0.250  1.0
  O  O33  1  0.022  0.433  0.250  1.0
  O  O34  1  0.438  0.251  0.489  1.0
  O  O35  1  0.562  0.813  0.511  1.0
  O  O36  1  0.187  0.749  0.989  1.0
  O  O37  1  0.433  0.022  0.750  1.0
[/CIF]
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