The material structure described by Ca(ClO3)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_Ca(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.855
_cell_length_c   7.888
_cell_angle_alpha   58.242
_cell_angle_beta   58.242
_cell_angle_gamma   67.075
_symmetry_Int_Tables_number   1
_cell_volume   264.753
_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  0.837  0.163  0.250  1.0
  Ca  Ca1  1  0.163  0.837  0.750  1.0
  Cl  Cl2  1  0.701  0.694  0.812  1.0
  Cl  Cl3  1  0.694  0.701  0.312  1.0
  Cl  Cl4  1  0.306  0.299  0.688  1.0
  Cl  Cl5  1  0.299  0.306  0.188  1.0
  O  O6  1  0.813  0.913  0.651  1.0
  O  O7  1  0.444  0.769  0.908  1.0
  O  O8  1  0.784  0.592  0.991  1.0
  O  O9  1  0.913  0.813  0.151  1.0
  O  O10  1  0.769  0.444  0.408  1.0
  O  O11  1  0.592  0.784  0.491  1.0
  O  O12  1  0.408  0.216  0.509  1.0
  O  O13  1  0.231  0.556  0.592  1.0
  O  O14  1  0.087  0.187  0.849  1.0
  O  O15  1  0.216  0.408  0.009  1.0
  O  O16  1  0.556  0.231  0.092  1.0
  O  O17  1  0.187  0.087  0.349  1.0
[/CIF]
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The material structure described by Ca(ClO3)2 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Cl(1) atom. Cl(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. is represented by the CIF file [CIF]
data_Ca(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.855
_cell_length_b   6.855
_cell_length_c   7.888
_cell_angle_alpha   58.242
_cell_angle_beta   58.242
_cell_angle_gamma   67.075
_symmetry_Int_Tables_number   1
_cell_volume   264.753
_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  0.837  0.163  0.250  1.0
  Ca  Ca1  1  0.163  0.837  0.750  1.0
  Cl  Cl2  1  0.701  0.694  0.812  1.0
  Cl  Cl3  1  0.694  0.701  0.312  1.0
  Cl  Cl4  1  0.306  0.299  0.688  1.0
  Cl  Cl5  1  0.299  0.306  0.188  1.0
  O  O6  1  0.813  0.913  0.651  1.0
  O  O7  1  0.444  0.769  0.908  1.0
  O  O8  1  0.784  0.592  0.991  1.0
  O  O9  1  0.913  0.813  0.151  1.0
  O  O10  1  0.769  0.444  0.408  1.0
  O  O11  1  0.592  0.784  0.491  1.0
  O  O12  1  0.408  0.216  0.509  1.0
  O  O13  1  0.231  0.556  0.592  1.0
  O  O14  1  0.087  0.187  0.849  1.0
  O  O15  1  0.216  0.408  0.009  1.0
  O  O16  1  0.556  0.231  0.092  1.0
  O  O17  1  0.187  0.087  0.349  1.0
[/CIF]
.