The material described by CdCuP2O7 crystallizes in the monoclinic C2 space group. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.573
_cell_length_c   4.618
_cell_angle_alpha   79.707
_cell_angle_beta   79.707
_cell_angle_gamma   102.890
_symmetry_Int_Tables_number   1
_cell_volume   133.928
_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
  Cd  Cd0  1  0.692  0.308  0.500  1.0
  Cu  Cu1  1  0.310  0.690  0.500  1.0
  P  P2  1  0.211  0.198  0.090  1.0
  P  P3  1  0.802  0.789  0.910  1.0
  O  O4  1  0.080  0.345  0.282  1.0
  O  O5  1  0.655  0.920  0.718  1.0
  O  O6  1  0.013  0.987  0.000  1.0
  O  O7  1  0.371  0.052  0.258  1.0
  O  O8  1  0.948  0.629  0.742  1.0
  O  O9  1  0.365  0.380  0.787  1.0
  O  O10  1  0.620  0.635  0.213  1.0
[/CIF]
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The material described by CdCuP2O7 crystallizes in the monoclinic C2 space group. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CdO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Cd(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.573
_cell_length_b   5.573
_cell_length_c   4.618
_cell_angle_alpha   79.707
_cell_angle_beta   79.707
_cell_angle_gamma   102.890
_symmetry_Int_Tables_number   1
_cell_volume   133.928
_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
  Cd  Cd0  1  0.692  0.308  0.500  1.0
  Cu  Cu1  1  0.310  0.690  0.500  1.0
  P  P2  1  0.211  0.198  0.090  1.0
  P  P3  1  0.802  0.789  0.910  1.0
  O  O4  1  0.080  0.345  0.282  1.0
  O  O5  1  0.655  0.920  0.718  1.0
  O  O6  1  0.013  0.987  0.000  1.0
  O  O7  1  0.371  0.052  0.258  1.0
  O  O8  1  0.948  0.629  0.742  1.0
  O  O9  1  0.365  0.380  0.787  1.0
  O  O10  1  0.620  0.635  0.213  1.0
[/CIF]
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