The compound described by Ca(O2Cl)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and three equivalent Cl(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one O(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one O(3) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   7.254
_cell_length_c   8.124
_cell_angle_alpha   91.685
_cell_angle_beta   98.469
_cell_angle_gamma   136.092
_symmetry_Int_Tables_number   1
_cell_volume   267.895
_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  0.129  0.203  0.267  1.0
  Ca  Ca1  1  0.871  0.797  0.733  1.0
  Cl  Cl2  1  0.664  0.336  0.973  1.0
  Cl  Cl3  1  0.336  0.664  0.027  1.0
  Cl  Cl4  1  0.740  0.690  0.377  1.0
  Cl  Cl5  1  0.260  0.310  0.623  1.0
  O  O6  1  0.877  0.879  0.020  1.0
  O  O7  1  0.123  0.121  0.980  1.0
  O  O8  1  0.420  0.057  0.308  1.0
  O  O9  1  0.580  0.943  0.692  1.0
  O  O10  1  0.152  0.526  0.169  1.0
  O  O11  1  0.848  0.474  0.831  1.0
  O  O12  1  0.675  0.171  0.354  1.0
  O  O13  1  0.325  0.829  0.646  1.0
[/CIF]
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The compound described by Ca(O2Cl)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(1), and three equivalent Cl(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one O(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one O(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one O(3) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   7.254
_cell_length_c   8.124
_cell_angle_alpha   91.685
_cell_angle_beta   98.469
_cell_angle_gamma   136.092
_symmetry_Int_Tables_number   1
_cell_volume   267.895
_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  0.129  0.203  0.267  1.0
  Ca  Ca1  1  0.871  0.797  0.733  1.0
  Cl  Cl2  1  0.664  0.336  0.973  1.0
  Cl  Cl3  1  0.336  0.664  0.027  1.0
  Cl  Cl4  1  0.740  0.690  0.377  1.0
  Cl  Cl5  1  0.260  0.310  0.623  1.0
  O  O6  1  0.877  0.879  0.020  1.0
  O  O7  1  0.123  0.121  0.980  1.0
  O  O8  1  0.420  0.057  0.308  1.0
  O  O9  1  0.580  0.943  0.692  1.0
  O  O10  1  0.152  0.526  0.169  1.0
  O  O11  1  0.848  0.474  0.831  1.0
  O  O12  1  0.675  0.171  0.354  1.0
  O  O13  1  0.325  0.829  0.646  1.0
[/CIF]
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