The material structure described by Ca(H2PO4)2.H2O crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(9), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear 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(4) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(7) and one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a 3-coordinate geometry to one P(2), one H(3), and one H(4) atom. In the second O site, O(9) is bonded in a distorted water-like geometry to one Ca(1), one H(2), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(1), and one H(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(1), and one H(2) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(2), and one H(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(3) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP2(H2O3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   6.294
_cell_length_c   11.964
_cell_angle_alpha   92.992
_cell_angle_beta   96.632
_cell_angle_gamma   114.191
_symmetry_Int_Tables_number   1
_cell_volume   383.943
_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  0.960  0.227  0.897  1.0
  Ca  Ca1  1  0.040  0.773  0.103  1.0
  P  P2  1  0.469  0.723  0.903  1.0
  P  P3  1  0.531  0.277  0.097  1.0
  P  P4  1  0.735  0.387  0.627  1.0
  P  P5  1  0.265  0.613  0.373  1.0
  H  H6  1  0.562  0.459  0.804  1.0
  H  H7  1  0.438  0.541  0.196  1.0
  H  H8  1  0.313  0.935  0.794  1.0
  H  H9  1  0.687  0.065  0.206  1.0
  H  H10  1  0.355  0.287  0.517  1.0
  H  H11  1  0.645  0.713  0.483  1.0
  H  H12  1  0.971  0.296  0.512  1.0
  H  H13  1  0.029  0.704  0.488  1.0
  H  H14  1  0.945  0.859  0.697  1.0
  H  H15  1  0.055  0.141  0.303  1.0
  H  H16  1  0.142  0.114  0.693  1.0
  H  H17  1  0.858  0.886  0.307  1.0
  O  O18  1  0.239  0.659  0.967  1.0
  O  O19  1  0.761  0.341  0.033  1.0
  O  O20  1  0.746  0.828  0.966  1.0
  O  O21  1  0.254  0.172  0.034  1.0
  O  O22  1  0.406  0.484  0.827  1.0
  O  O23  1  0.594  0.516  0.173  1.0
  O  O24  1  0.480  0.915  0.819  1.0
  O  O25  1  0.520  0.085  0.181  1.0
  O  O26  1  0.778  0.397  0.756  1.0
  O  O27  1  0.222  0.603  0.244  1.0
  O  O28  1  0.429  0.240  0.587  1.0
  O  O29  1  0.571  0.760  0.413  1.0
  O  O30  1  0.878  0.241  0.579  1.0
  O  O31  1  0.122  0.759  0.421  1.0
  O  O32  1  0.824  0.627  0.581  1.0
  O  O33  1  0.176  0.373  0.419  1.0
  O  O34  1  0.066  0.002  0.748  1.0
  O  O35  1  0.934  0.998  0.252  1.0
[/CIF]
.
The material structure described by Ca(H2PO4)2.H2O crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(9), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear 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(4) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(7) and one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. There are nine inequivalent O sites. In the first O site, O(8) is bonded in a 3-coordinate geometry to one P(2), one H(3), and one H(4) atom. In the second O site, O(9) is bonded in a distorted water-like geometry to one Ca(1), one H(2), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(1), and one H(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one P(1), and one H(2) atom. In the seventh O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one P(2), and one H(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one H(3) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaP2(H2O3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.662
_cell_length_b   6.294
_cell_length_c   11.964
_cell_angle_alpha   92.992
_cell_angle_beta   96.632
_cell_angle_gamma   114.191
_symmetry_Int_Tables_number   1
_cell_volume   383.943
_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  0.960  0.227  0.897  1.0
  Ca  Ca1  1  0.040  0.773  0.103  1.0
  P  P2  1  0.469  0.723  0.903  1.0
  P  P3  1  0.531  0.277  0.097  1.0
  P  P4  1  0.735  0.387  0.627  1.0
  P  P5  1  0.265  0.613  0.373  1.0
  H  H6  1  0.562  0.459  0.804  1.0
  H  H7  1  0.438  0.541  0.196  1.0
  H  H8  1  0.313  0.935  0.794  1.0
  H  H9  1  0.687  0.065  0.206  1.0
  H  H10  1  0.355  0.287  0.517  1.0
  H  H11  1  0.645  0.713  0.483  1.0
  H  H12  1  0.971  0.296  0.512  1.0
  H  H13  1  0.029  0.704  0.488  1.0
  H  H14  1  0.945  0.859  0.697  1.0
  H  H15  1  0.055  0.141  0.303  1.0
  H  H16  1  0.142  0.114  0.693  1.0
  H  H17  1  0.858  0.886  0.307  1.0
  O  O18  1  0.239  0.659  0.967  1.0
  O  O19  1  0.761  0.341  0.033  1.0
  O  O20  1  0.746  0.828  0.966  1.0
  O  O21  1  0.254  0.172  0.034  1.0
  O  O22  1  0.406  0.484  0.827  1.0
  O  O23  1  0.594  0.516  0.173  1.0
  O  O24  1  0.480  0.915  0.819  1.0
  O  O25  1  0.520  0.085  0.181  1.0
  O  O26  1  0.778  0.397  0.756  1.0
  O  O27  1  0.222  0.603  0.244  1.0
  O  O28  1  0.429  0.240  0.587  1.0
  O  O29  1  0.571  0.760  0.413  1.0
  O  O30  1  0.878  0.241  0.579  1.0
  O  O31  1  0.122  0.759  0.421  1.0
  O  O32  1  0.824  0.627  0.581  1.0
  O  O33  1  0.176  0.373  0.419  1.0
  O  O34  1  0.066  0.002  0.748  1.0
  O  O35  1  0.934  0.998  0.252  1.0
[/CIF]
.