The crystal structure described by CaOCl crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded in a trigonal planar geometry to three equivalent Ca(1) atoms. Cl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   3.994
_cell_length_c   9.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.742
_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  0.333  0.667  0.189  1.0
  Ca  Ca1  1  0.667  0.333  0.689  1.0
  Cl  Cl2  1  0.333  0.667  0.495  1.0
  Cl  Cl3  1  0.667  0.333  0.995  1.0
  O  O4  1  0.000  0.000  0.733  1.0
  O  O5  1  0.000  0.000  0.233  1.0
[/CIF]
.
The crystal structure described by CaOCl crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded in a trigonal planar geometry to three equivalent Ca(1) atoms. Cl(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.994
_cell_length_b   3.994
_cell_length_c   9.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.742
_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  0.333  0.667  0.189  1.0
  Ca  Ca1  1  0.667  0.333  0.689  1.0
  Cl  Cl2  1  0.333  0.667  0.495  1.0
  Cl  Cl3  1  0.667  0.333  0.995  1.0
  O  O4  1  0.000  0.000  0.733  1.0
  O  O5  1  0.000  0.000  0.233  1.0
[/CIF]
.