The material described by Cd(PO3)2(O2)2 crystallizes in the trigonal P-3 space group. The structure consists of six hydrogen peroxide molecules inside a Cd(PO3)2 framework. In the Cd(PO3)2 framework, Cd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cd(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Cd(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.386
_cell_length_b   12.386
_cell_length_c   5.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   716.039
_cell_formula_units_Z   3
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  0.000  0.500  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.814  0.358  0.490  1.0
  P  P4  1  0.642  0.456  0.490  1.0
  P  P5  1  0.544  0.186  0.490  1.0
  P  P6  1  0.186  0.642  0.510  1.0
  P  P7  1  0.358  0.544  0.510  1.0
  P  P8  1  0.456  0.814  0.510  1.0
  O  O9  1  0.688  0.228  0.553  1.0
  O  O10  1  0.772  0.460  0.553  1.0
  O  O11  1  0.540  0.312  0.553  1.0
  O  O12  1  0.312  0.772  0.447  1.0
  O  O13  1  0.228  0.540  0.447  1.0
  O  O14  1  0.460  0.688  0.447  1.0
  O  O15  1  0.516  0.158  0.218  1.0
  O  O16  1  0.842  0.358  0.218  1.0
  O  O17  1  0.642  0.484  0.218  1.0
  O  O18  1  0.484  0.842  0.782  1.0
  O  O19  1  0.158  0.642  0.782  1.0
  O  O20  1  0.358  0.516  0.782  1.0
  O  O21  1  0.375  0.463  0.325  1.0
  O  O22  1  0.537  0.912  0.325  1.0
  O  O23  1  0.088  0.625  0.325  1.0
  O  O24  1  0.625  0.537  0.675  1.0
  O  O25  1  0.463  0.088  0.675  1.0
  O  O26  1  0.912  0.375  0.675  1.0
  O  O27  1  0.303  0.234  0.868  1.0
  O  O28  1  0.766  0.069  0.868  1.0
  O  O29  1  0.931  0.697  0.868  1.0
  O  O30  1  0.697  0.766  0.132  1.0
  O  O31  1  0.234  0.931  0.132  1.0
  O  O32  1  0.069  0.303  0.132  1.0
  O  O33  1  0.798  0.043  0.669  1.0
  O  O34  1  0.957  0.754  0.669  1.0
  O  O35  1  0.246  0.202  0.669  1.0
  O  O36  1  0.202  0.957  0.331  1.0
  O  O37  1  0.043  0.246  0.331  1.0
  O  O38  1  0.754  0.798  0.331  1.0
[/CIF]
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The material described by Cd(PO3)2(O2)2 crystallizes in the trigonal P-3 space group. The structure consists of six hydrogen peroxide molecules inside a Cd(PO3)2 framework. In the Cd(PO3)2 framework, Cd(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cd(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Cd(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.386
_cell_length_b   12.386
_cell_length_c   5.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   716.039
_cell_formula_units_Z   3
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  0.000  0.500  0.000  1.0
  Cd  Cd1  1  0.500  0.500  0.000  1.0
  Cd  Cd2  1  0.500  0.000  0.000  1.0
  P  P3  1  0.814  0.358  0.490  1.0
  P  P4  1  0.642  0.456  0.490  1.0
  P  P5  1  0.544  0.186  0.490  1.0
  P  P6  1  0.186  0.642  0.510  1.0
  P  P7  1  0.358  0.544  0.510  1.0
  P  P8  1  0.456  0.814  0.510  1.0
  O  O9  1  0.688  0.228  0.553  1.0
  O  O10  1  0.772  0.460  0.553  1.0
  O  O11  1  0.540  0.312  0.553  1.0
  O  O12  1  0.312  0.772  0.447  1.0
  O  O13  1  0.228  0.540  0.447  1.0
  O  O14  1  0.460  0.688  0.447  1.0
  O  O15  1  0.516  0.158  0.218  1.0
  O  O16  1  0.842  0.358  0.218  1.0
  O  O17  1  0.642  0.484  0.218  1.0
  O  O18  1  0.484  0.842  0.782  1.0
  O  O19  1  0.158  0.642  0.782  1.0
  O  O20  1  0.358  0.516  0.782  1.0
  O  O21  1  0.375  0.463  0.325  1.0
  O  O22  1  0.537  0.912  0.325  1.0
  O  O23  1  0.088  0.625  0.325  1.0
  O  O24  1  0.625  0.537  0.675  1.0
  O  O25  1  0.463  0.088  0.675  1.0
  O  O26  1  0.912  0.375  0.675  1.0
  O  O27  1  0.303  0.234  0.868  1.0
  O  O28  1  0.766  0.069  0.868  1.0
  O  O29  1  0.931  0.697  0.868  1.0
  O  O30  1  0.697  0.766  0.132  1.0
  O  O31  1  0.234  0.931  0.132  1.0
  O  O32  1  0.069  0.303  0.132  1.0
  O  O33  1  0.798  0.043  0.669  1.0
  O  O34  1  0.957  0.754  0.669  1.0
  O  O35  1  0.246  0.202  0.669  1.0
  O  O36  1  0.202  0.957  0.331  1.0
  O  O37  1  0.043  0.246  0.331  1.0
  O  O38  1  0.754  0.798  0.331  1.0
[/CIF]
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