The material described by CaP(HO3)2 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   5.628
_cell_angle_alpha   78.683
_cell_angle_beta   78.683
_cell_angle_gamma   134.411
_symmetry_Int_Tables_number   1
_cell_volume   238.627
_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  0.834  0.173  0.749  1.0
  Ca  Ca1  1  0.173  0.834  0.249  1.0
  P  P2  1  0.326  0.670  0.739  1.0
  P  P3  1  0.670  0.326  0.239  1.0
  H  H4  1  0.281  0.291  0.398  1.0
  H  H5  1  0.291  0.281  0.898  1.0
  H  H6  1  0.185  0.352  0.221  1.0
  H  H7  1  0.352  0.185  0.721  1.0
  O  O8  1  0.608  0.843  0.514  1.0
  O  O9  1  0.843  0.608  0.014  1.0
  O  O10  1  0.378  0.819  0.898  1.0
  O  O11  1  0.819  0.378  0.398  1.0
  O  O12  1  0.189  0.403  0.917  1.0
  O  O13  1  0.403  0.189  0.417  1.0
  O  O14  1  0.170  0.636  0.601  1.0
  O  O15  1  0.636  0.170  0.101  1.0
  O  O16  1  0.185  0.322  0.403  1.0
  O  O17  1  0.322  0.185  0.903  1.0
  O  O18  1  0.693  0.805  0.158  1.0
  O  O19  1  0.805  0.693  0.658  1.0
[/CIF]
.
The material described by CaP(HO3)2 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ca(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   5.628
_cell_angle_alpha   78.683
_cell_angle_beta   78.683
_cell_angle_gamma   134.411
_symmetry_Int_Tables_number   1
_cell_volume   238.627
_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  0.834  0.173  0.749  1.0
  Ca  Ca1  1  0.173  0.834  0.249  1.0
  P  P2  1  0.326  0.670  0.739  1.0
  P  P3  1  0.670  0.326  0.239  1.0
  H  H4  1  0.281  0.291  0.398  1.0
  H  H5  1  0.291  0.281  0.898  1.0
  H  H6  1  0.185  0.352  0.221  1.0
  H  H7  1  0.352  0.185  0.721  1.0
  O  O8  1  0.608  0.843  0.514  1.0
  O  O9  1  0.843  0.608  0.014  1.0
  O  O10  1  0.378  0.819  0.898  1.0
  O  O11  1  0.819  0.378  0.398  1.0
  O  O12  1  0.189  0.403  0.917  1.0
  O  O13  1  0.403  0.189  0.417  1.0
  O  O14  1  0.170  0.636  0.601  1.0
  O  O15  1  0.636  0.170  0.101  1.0
  O  O16  1  0.185  0.322  0.403  1.0
  O  O17  1  0.322  0.185  0.903  1.0
  O  O18  1  0.693  0.805  0.158  1.0
  O  O19  1  0.805  0.693  0.658  1.0
[/CIF]
.