The crystal structure described by CdP2H6O7 crystallizes in the triclinic P-1 space group. Cd(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent P(2)HO3 tetrahedra, corners with three equivalent P(1)HO3 tetrahedra, and  an edgeedge with one Cd(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(1), one O(2), one O(3), and one O(4) atom to form distorted PHO3 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one H(2), one O(1), one O(6), and one O(7) atom to form distorted PHO3 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(2) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(1) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1), one P(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(6) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cd(1), one H(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cd(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(3) atom. is represented by the CIF card [CIF]
data_CdP2H6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   7.675
_cell_length_c   8.052
_cell_angle_alpha   113.611
_cell_angle_beta   110.099
_cell_angle_gamma   95.206
_symmetry_Int_Tables_number   1
_cell_volume   350.163
_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
  Cd  Cd0  1  0.572  0.764  0.875  1.0
  Cd  Cd1  1  0.428  0.236  0.125  1.0
  P  P2  1  0.111  0.759  0.967  1.0
  P  P3  1  0.889  0.241  0.033  1.0
  P  P4  1  0.692  0.748  0.339  1.0
  P  P5  1  0.308  0.252  0.661  1.0
  H  H6  1  0.132  0.565  0.904  1.0
  H  H7  1  0.868  0.435  0.096  1.0
  H  H8  1  0.640  0.924  0.434  1.0
  H  H9  1  0.360  0.076  0.566  1.0
  H  H10  1  0.896  0.753  0.625  1.0
  H  H11  1  0.104  0.247  0.375  1.0
  H  H12  1  0.380  0.660  0.447  1.0
  H  H13  1  0.620  0.340  0.553  1.0
  H  H14  1  0.201  0.729  0.530  1.0
  H  H15  1  0.799  0.271  0.470  1.0
  H  H16  1  0.979  0.805  0.192  1.0
  H  H17  1  0.021  0.195  0.808  1.0
  O  O18  1  0.751  0.753  0.174  1.0
  O  O19  1  0.308  0.883  0.976  1.0
  O  O20  1  0.109  0.245  0.176  1.0
  O  O21  1  0.891  0.755  0.824  1.0
  O  O22  1  0.874  0.169  0.815  1.0
  O  O23  1  0.126  0.831  0.185  1.0
  O  O24  1  0.645  0.266  0.432  1.0
  O  O25  1  0.355  0.734  0.568  1.0
  O  O26  1  0.505  0.578  0.277  1.0
  O  O27  1  0.495  0.422  0.723  1.0
  O  O28  1  0.910  0.752  0.502  1.0
  O  O29  1  0.090  0.248  0.498  1.0
  O  O30  1  0.692  0.117  0.024  1.0
  O  O31  1  0.249  0.247  0.826  1.0
[/CIF]
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The crystal structure described by CdP2H6O7 crystallizes in the triclinic P-1 space group. Cd(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent P(2)HO3 tetrahedra, corners with three equivalent P(1)HO3 tetrahedra, and  an edgeedge with one Cd(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(1), one O(2), one O(3), and one O(4) atom to form distorted PHO3 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one H(2), one O(1), one O(6), and one O(7) atom to form distorted PHO3 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one P(2) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(1) and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1), one P(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(6) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cd(1), one H(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cd(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(3) atom. is represented by the CIF card [CIF]
data_CdP2H6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   7.675
_cell_length_c   8.052
_cell_angle_alpha   113.611
_cell_angle_beta   110.099
_cell_angle_gamma   95.206
_symmetry_Int_Tables_number   1
_cell_volume   350.163
_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
  Cd  Cd0  1  0.572  0.764  0.875  1.0
  Cd  Cd1  1  0.428  0.236  0.125  1.0
  P  P2  1  0.111  0.759  0.967  1.0
  P  P3  1  0.889  0.241  0.033  1.0
  P  P4  1  0.692  0.748  0.339  1.0
  P  P5  1  0.308  0.252  0.661  1.0
  H  H6  1  0.132  0.565  0.904  1.0
  H  H7  1  0.868  0.435  0.096  1.0
  H  H8  1  0.640  0.924  0.434  1.0
  H  H9  1  0.360  0.076  0.566  1.0
  H  H10  1  0.896  0.753  0.625  1.0
  H  H11  1  0.104  0.247  0.375  1.0
  H  H12  1  0.380  0.660  0.447  1.0
  H  H13  1  0.620  0.340  0.553  1.0
  H  H14  1  0.201  0.729  0.530  1.0
  H  H15  1  0.799  0.271  0.470  1.0
  H  H16  1  0.979  0.805  0.192  1.0
  H  H17  1  0.021  0.195  0.808  1.0
  O  O18  1  0.751  0.753  0.174  1.0
  O  O19  1  0.308  0.883  0.976  1.0
  O  O20  1  0.109  0.245  0.176  1.0
  O  O21  1  0.891  0.755  0.824  1.0
  O  O22  1  0.874  0.169  0.815  1.0
  O  O23  1  0.126  0.831  0.185  1.0
  O  O24  1  0.645  0.266  0.432  1.0
  O  O25  1  0.355  0.734  0.568  1.0
  O  O26  1  0.505  0.578  0.277  1.0
  O  O27  1  0.495  0.422  0.723  1.0
  O  O28  1  0.910  0.752  0.502  1.0
  O  O29  1  0.090  0.248  0.498  1.0
  O  O30  1  0.692  0.117  0.024  1.0
  O  O31  1  0.249  0.247  0.826  1.0
[/CIF]
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