The crystal structure described by CaCdP2O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms. Cd(1) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 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 O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(7) 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 52-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cd(1), and one P(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 4-coordinate geometry to one Ca(1), two equivalent Cd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cd(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cd(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaCdP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.764
_cell_length_c   6.772
_cell_angle_alpha   65.672
_cell_angle_beta   84.218
_cell_angle_gamma   87.299
_symmetry_Int_Tables_number   1
_cell_volume   279.495
_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  0.878  0.687  0.264  1.0
  Ca  Ca1  1  0.122  0.313  0.736  1.0
  Cd  Cd2  1  0.351  0.741  0.889  1.0
  Cd  Cd3  1  0.649  0.259  0.111  1.0
  P  P4  1  0.852  0.770  0.762  1.0
  P  P5  1  0.148  0.230  0.238  1.0
  P  P6  1  0.368  0.810  0.365  1.0
  P  P7  1  0.632  0.190  0.635  1.0
  O  O8  1  0.012  0.835  0.871  1.0
  O  O9  1  0.988  0.165  0.129  1.0
  O  O10  1  0.743  0.983  0.600  1.0
  O  O11  1  0.257  0.017  0.400  1.0
  O  O12  1  0.579  0.891  0.259  1.0
  O  O13  1  0.421  0.109  0.741  1.0
  O  O14  1  0.934  0.654  0.619  1.0
  O  O15  1  0.066  0.346  0.381  1.0
  O  O16  1  0.691  0.640  0.946  1.0
  O  O17  1  0.309  0.360  0.054  1.0
  O  O18  1  0.756  0.243  0.783  1.0
  O  O19  1  0.244  0.757  0.217  1.0
  O  O20  1  0.366  0.635  0.598  1.0
  O  O21  1  0.634  0.365  0.402  1.0
[/CIF]
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The crystal structure described by CaCdP2O7 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms. Cd(1) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(5) atoms to form CdO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 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 O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(7) 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 52-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ca(1), one Cd(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cd(1), and one P(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 4-coordinate geometry to one Ca(1), two equivalent Cd(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(1), one Cd(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Cd(1), and one P(2) atom. is represented by the CIF card [CIF]
data_CaCdP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.764
_cell_length_c   6.772
_cell_angle_alpha   65.672
_cell_angle_beta   84.218
_cell_angle_gamma   87.299
_symmetry_Int_Tables_number   1
_cell_volume   279.495
_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  0.878  0.687  0.264  1.0
  Ca  Ca1  1  0.122  0.313  0.736  1.0
  Cd  Cd2  1  0.351  0.741  0.889  1.0
  Cd  Cd3  1  0.649  0.259  0.111  1.0
  P  P4  1  0.852  0.770  0.762  1.0
  P  P5  1  0.148  0.230  0.238  1.0
  P  P6  1  0.368  0.810  0.365  1.0
  P  P7  1  0.632  0.190  0.635  1.0
  O  O8  1  0.012  0.835  0.871  1.0
  O  O9  1  0.988  0.165  0.129  1.0
  O  O10  1  0.743  0.983  0.600  1.0
  O  O11  1  0.257  0.017  0.400  1.0
  O  O12  1  0.579  0.891  0.259  1.0
  O  O13  1  0.421  0.109  0.741  1.0
  O  O14  1  0.934  0.654  0.619  1.0
  O  O15  1  0.066  0.346  0.381  1.0
  O  O16  1  0.691  0.640  0.946  1.0
  O  O17  1  0.309  0.360  0.054  1.0
  O  O18  1  0.756  0.243  0.783  1.0
  O  O19  1  0.244  0.757  0.217  1.0
  O  O20  1  0.366  0.635  0.598  1.0
  O  O21  1  0.634  0.365  0.402  1.0
[/CIF]
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