The material structure described by BaHI is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent H(1) and five equivalent I(1) atoms. H(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. I(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaHI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.776
_cell_length_b   4.776
_cell_length_c   7.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.910
_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
  Ba  Ba0  1  0.500  0.000  0.827  1.0
  Ba  Ba1  1  0.000  0.500  0.173  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  H  H3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.000  0.500  0.660  1.0
  I  I5  1  0.500  0.000  0.340  1.0
[/CIF]
.
The material structure described by BaHI is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent H(1) and five equivalent I(1) atoms. H(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing HBa4 tetrahedra. I(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_BaHI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.776
_cell_length_b   4.776
_cell_length_c   7.800
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   177.910
_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
  Ba  Ba0  1  0.500  0.000  0.827  1.0
  Ba  Ba1  1  0.000  0.500  0.173  1.0
  H  H2  1  0.500  0.500  0.000  1.0
  H  H3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.000  0.500  0.660  1.0
  I  I5  1  0.500  0.000  0.340  1.0
[/CIF]
.