The structure described by Ca3(HO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent H(1), one O(1), one O(2), and three equivalent O(3) atoms. H(1) is bonded in a distorted single-bond geometry to two equivalent Ca(2), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), two equivalent Ca(1), and one O(3) atom to form a mixture of distorted corner and edge-sharing OCa3O tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Ca(2), and one H(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(2), one H(1), and one O(1) atom. is represented by the CIF file [CIF]
data_Ca3(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.076
_cell_length_c   6.106
_cell_angle_alpha   69.083
_cell_angle_beta   69.083
_cell_angle_gamma   41.813
_symmetry_Int_Tables_number   1
_cell_volume   138.862
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.688  0.688  0.285  1.0
  Ca  Ca2  1  0.312  0.312  0.715  1.0
  H  H3  1  0.179  0.179  0.438  1.0
  H  H4  1  0.821  0.821  0.562  1.0
  O  O5  1  0.616  0.616  0.982  1.0
  O  O6  1  0.126  0.126  0.611  1.0
  O  O7  1  0.874  0.874  0.389  1.0
  O  O8  1  0.760  0.760  0.857  1.0
  O  O9  1  0.384  0.384  0.018  1.0
  O  O10  1  0.240  0.240  0.143  1.0
[/CIF]
.
The structure described by Ca3(HO3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to two equivalent H(1), one O(1), one O(2), and three equivalent O(3) atoms. H(1) is bonded in a distorted single-bond geometry to two equivalent Ca(2), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(2), two equivalent Ca(1), and one O(3) atom to form a mixture of distorted corner and edge-sharing OCa3O tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ca(1), one Ca(2), and one H(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(2), one H(1), and one O(1) atom. is represented by the CIF file [CIF]
data_Ca3(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.076
_cell_length_c   6.106
_cell_angle_alpha   69.083
_cell_angle_beta   69.083
_cell_angle_gamma   41.813
_symmetry_Int_Tables_number   1
_cell_volume   138.862
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.688  0.688  0.285  1.0
  Ca  Ca2  1  0.312  0.312  0.715  1.0
  H  H3  1  0.179  0.179  0.438  1.0
  H  H4  1  0.821  0.821  0.562  1.0
  O  O5  1  0.616  0.616  0.982  1.0
  O  O6  1  0.126  0.126  0.611  1.0
  O  O7  1  0.874  0.874  0.389  1.0
  O  O8  1  0.760  0.760  0.857  1.0
  O  O9  1  0.384  0.384  0.018  1.0
  O  O10  1  0.240  0.240  0.143  1.0
[/CIF]
.