The material structure described by CaHCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent H(1) and five equivalent Cl(1) atoms. H(1) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaHCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   3.817
_cell_length_c   6.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.553
_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
  Ca  Ca0  1  0.750  0.750  0.808  1.0
  Ca  Ca1  1  0.250  0.250  0.192  1.0
  H  H2  1  0.250  0.750  0.000  1.0
  H  H3  1  0.750  0.250  0.000  1.0
  Cl  Cl4  1  0.250  0.250  0.653  1.0
  Cl  Cl5  1  0.750  0.750  0.347  1.0
[/CIF]
.
The material structure described by CaHCl is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Ca(1) is bonded in a 9-coordinate geometry to four equivalent H(1) and five equivalent Cl(1) atoms. H(1) is bonded to four equivalent Ca(1) atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to five equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaHCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.817
_cell_length_b   3.817
_cell_length_c   6.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   100.553
_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
  Ca  Ca0  1  0.750  0.750  0.808  1.0
  Ca  Ca1  1  0.250  0.250  0.192  1.0
  H  H2  1  0.250  0.750  0.000  1.0
  H  H3  1  0.750  0.250  0.000  1.0
  Cl  Cl4  1  0.250  0.250  0.653  1.0
  Cl  Cl5  1  0.750  0.750  0.347  1.0
[/CIF]
.