The crystal structure described by Cd2Te2O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(13), one O(3), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the second Cd site, Cd(2) is bonded to one O(12), one O(8), two equivalent O(10), and two equivalent O(5) atoms to form distorted CdO6 octahedra that share  a cornercorner with one Cd(3)O8 hexagonal bipyramid, corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, and edges with two equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the third Cd site, Cd(3) is bonded to one O(11), one O(12), one O(2), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form distorted CdO8 hexagonal bipyramids that share  a cornercorner with one Cd(2)O6 octahedra,  an edgeedge with one Cd(3)O8 hexagonal bipyramid,  an edgeedge with one Cd(4)O6 octahedra,  an edgeedge with one Cd(5)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Te(4)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fourth Cd site, Cd(4) is bonded to two equivalent O(13), two equivalent O(2), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, edges with two equivalent Cd(3)O8 hexagonal bipyramids, and edges with two equivalent Cd(5)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fifth Cd site, Cd(5) is bonded to two equivalent O(13), two equivalent O(2), and two equivalent O(9) atoms to form distorted CdO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, edges with two equivalent Cd(3)O8 hexagonal bipyramids, and edges with two equivalent Cd(4)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(12), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(14), and one O(7) atom to form TeO6 octahedra that share  a cornercorner with one Cd(4)O6 octahedra,  a cornercorner with one Cd(5)O6 octahedra, corners with two equivalent Cd(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, and  an edgeedge with one Cd(3)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 29-63°. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one O(14), one O(4), one O(6), and one O(8) atom. In the fourth Te site, Te(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form TeO6 octahedra that share  a cornercorner with one Cd(4)O6 octahedra,  a cornercorner with one Cd(5)O6 octahedra, corners with two equivalent Cd(2)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and edges with two equivalent Cd(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 29-63°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the second O site, O(2) is bonded to one Cd(3), one Cd(4), one Cd(5), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the third O site, O(3) is bonded to one Cd(1), two equivalent Cd(3), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(3) and one Te(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one Te(4) atom. In the sixth O site, O(6) is bonded to one Cd(1), one Cd(3), one Cd(4), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cd(3), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Te(1), and one Te(3) atom. In the ninth O site, O(9) is bonded to one Cd(1), one Cd(3), one Cd(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cd(2) and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Cd(3), two equivalent Cd(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OCd3Te trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Te(1) atom. In the thirteenth O site, O(13) is bonded to one Cd(1), one Cd(4), one Cd(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the CIF card [CIF]
data_Cd2Te2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.436
_cell_length_b   8.357
_cell_length_c   10.020
_cell_angle_alpha   87.010
_cell_angle_beta   78.910
_cell_angle_gamma   77.221
_symmetry_Int_Tables_number   1
_cell_volume   595.860
_cell_formula_units_Z   4
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  0.190  0.347  0.892  1.0
  Cd  Cd1  1  0.810  0.653  0.108  1.0
  Cd  Cd2  1  0.256  0.491  0.492  1.0
  Cd  Cd3  1  0.744  0.509  0.508  1.0
  Cd  Cd4  1  0.309  0.625  0.113  1.0
  Cd  Cd5  1  0.691  0.375  0.887  1.0
  Cd  Cd6  1  0.500  0.000  0.000  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  Te  Te8  1  0.043  0.166  0.646  1.0
  Te  Te9  1  0.957  0.834  0.354  1.0
  Te  Te10  1  0.121  0.268  0.234  1.0
  Te  Te11  1  0.879  0.732  0.766  1.0
  Te  Te12  1  0.560  0.103  0.650  1.0
  Te  Te13  1  0.440  0.897  0.350  1.0
  Te  Te14  1  0.624  0.275  0.228  1.0
  Te  Te15  1  0.376  0.725  0.772  1.0
  O  O16  1  0.114  0.804  0.755  1.0
  O  O17  1  0.886  0.196  0.245  1.0
  O  O18  1  0.318  0.846  0.935  1.0
  O  O19  1  0.682  0.154  0.065  1.0
  O  O20  1  0.368  0.533  0.887  1.0
  O  O21  1  0.632  0.467  0.113  1.0
  O  O22  1  0.411  0.938  0.668  1.0
  O  O23  1  0.589  0.062  0.332  1.0
  O  O24  1  0.430  0.614  0.607  1.0
  O  O25  1  0.570  0.386  0.393  1.0
  O  O26  1  0.496  0.184  0.826  1.0
  O  O27  1  0.504  0.816  0.174  1.0
  O  O28  1  0.641  0.670  0.776  1.0
  O  O29  1  0.359  0.330  0.224  1.0
  O  O30  1  0.768  0.712  0.356  1.0
  O  O31  1  0.232  0.288  0.644  1.0
  O  O32  1  0.003  0.821  0.163  1.0
  O  O33  1  0.997  0.179  0.837  1.0
  O  O34  1  0.044  0.353  0.411  1.0
  O  O35  1  0.956  0.647  0.589  1.0
  O  O36  1  0.063  0.463  0.134  1.0
  O  O37  1  0.937  0.537  0.866  1.0
  O  O38  1  0.199  0.693  0.343  1.0
  O  O39  1  0.801  0.307  0.657  1.0
  O  O40  1  0.206  0.153  0.067  1.0
  O  O41  1  0.794  0.847  0.933  1.0
  O  O42  1  0.212  0.050  0.325  1.0
  O  O43  1  0.788  0.950  0.675  1.0
[/CIF]
.
The crystal structure described by Cd2Te2O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(13), one O(3), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the second Cd site, Cd(2) is bonded to one O(12), one O(8), two equivalent O(10), and two equivalent O(5) atoms to form distorted CdO6 octahedra that share  a cornercorner with one Cd(3)O8 hexagonal bipyramid, corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, and edges with two equivalent Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the third Cd site, Cd(3) is bonded to one O(11), one O(12), one O(2), one O(6), one O(7), one O(9), and two equivalent O(3) atoms to form distorted CdO8 hexagonal bipyramids that share  a cornercorner with one Cd(2)O6 octahedra,  an edgeedge with one Cd(3)O8 hexagonal bipyramid,  an edgeedge with one Cd(4)O6 octahedra,  an edgeedge with one Cd(5)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent Te(4)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fourth Cd site, Cd(4) is bonded to two equivalent O(13), two equivalent O(2), and two equivalent O(6) atoms to form CdO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, edges with two equivalent Cd(3)O8 hexagonal bipyramids, and edges with two equivalent Cd(5)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fifth Cd site, Cd(5) is bonded to two equivalent O(13), two equivalent O(2), and two equivalent O(9) atoms to form distorted CdO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, edges with two equivalent Cd(3)O8 hexagonal bipyramids, and edges with two equivalent Cd(4)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(12), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(14), and one O(7) atom to form TeO6 octahedra that share  a cornercorner with one Cd(4)O6 octahedra,  a cornercorner with one Cd(5)O6 octahedra, corners with two equivalent Cd(2)O6 octahedra, corners with two equivalent Te(4)O6 octahedra, and  an edgeedge with one Cd(3)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 29-63°. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one O(14), one O(4), one O(6), and one O(8) atom. In the fourth Te site, Te(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form TeO6 octahedra that share  a cornercorner with one Cd(4)O6 octahedra,  a cornercorner with one Cd(5)O6 octahedra, corners with two equivalent Cd(2)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and edges with two equivalent Cd(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 29-63°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(4) atom. In the second O site, O(2) is bonded to one Cd(3), one Cd(4), one Cd(5), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the third O site, O(3) is bonded to one Cd(1), two equivalent Cd(3), and one Te(4) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Te(3) and one Te(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one Te(4) atom. In the sixth O site, O(6) is bonded to one Cd(1), one Cd(3), one Cd(4), and one Te(3) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cd(3), one Te(2), and one Te(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Cd(1), one Cd(2), one Te(1), and one Te(3) atom. In the ninth O site, O(9) is bonded to one Cd(1), one Cd(3), one Cd(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cd(2) and one Te(2) atom. In the eleventh O site, O(11) is bonded to one Cd(3), two equivalent Cd(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OCd3Te trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Cd(3), and one Te(1) atom. In the thirteenth O site, O(13) is bonded to one Cd(1), one Cd(4), one Cd(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OCd3Te tetrahedra. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the CIF card [CIF]
data_Cd2Te2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.436
_cell_length_b   8.357
_cell_length_c   10.020
_cell_angle_alpha   87.010
_cell_angle_beta   78.910
_cell_angle_gamma   77.221
_symmetry_Int_Tables_number   1
_cell_volume   595.860
_cell_formula_units_Z   4
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  0.190  0.347  0.892  1.0
  Cd  Cd1  1  0.810  0.653  0.108  1.0
  Cd  Cd2  1  0.256  0.491  0.492  1.0
  Cd  Cd3  1  0.744  0.509  0.508  1.0
  Cd  Cd4  1  0.309  0.625  0.113  1.0
  Cd  Cd5  1  0.691  0.375  0.887  1.0
  Cd  Cd6  1  0.500  0.000  0.000  1.0
  Cd  Cd7  1  0.000  0.000  0.000  1.0
  Te  Te8  1  0.043  0.166  0.646  1.0
  Te  Te9  1  0.957  0.834  0.354  1.0
  Te  Te10  1  0.121  0.268  0.234  1.0
  Te  Te11  1  0.879  0.732  0.766  1.0
  Te  Te12  1  0.560  0.103  0.650  1.0
  Te  Te13  1  0.440  0.897  0.350  1.0
  Te  Te14  1  0.624  0.275  0.228  1.0
  Te  Te15  1  0.376  0.725  0.772  1.0
  O  O16  1  0.114  0.804  0.755  1.0
  O  O17  1  0.886  0.196  0.245  1.0
  O  O18  1  0.318  0.846  0.935  1.0
  O  O19  1  0.682  0.154  0.065  1.0
  O  O20  1  0.368  0.533  0.887  1.0
  O  O21  1  0.632  0.467  0.113  1.0
  O  O22  1  0.411  0.938  0.668  1.0
  O  O23  1  0.589  0.062  0.332  1.0
  O  O24  1  0.430  0.614  0.607  1.0
  O  O25  1  0.570  0.386  0.393  1.0
  O  O26  1  0.496  0.184  0.826  1.0
  O  O27  1  0.504  0.816  0.174  1.0
  O  O28  1  0.641  0.670  0.776  1.0
  O  O29  1  0.359  0.330  0.224  1.0
  O  O30  1  0.768  0.712  0.356  1.0
  O  O31  1  0.232  0.288  0.644  1.0
  O  O32  1  0.003  0.821  0.163  1.0
  O  O33  1  0.997  0.179  0.837  1.0
  O  O34  1  0.044  0.353  0.411  1.0
  O  O35  1  0.956  0.647  0.589  1.0
  O  O36  1  0.063  0.463  0.134  1.0
  O  O37  1  0.937  0.537  0.866  1.0
  O  O38  1  0.199  0.693  0.343  1.0
  O  O39  1  0.801  0.307  0.657  1.0
  O  O40  1  0.206  0.153  0.067  1.0
  O  O41  1  0.794  0.847  0.933  1.0
  O  O42  1  0.212  0.050  0.325  1.0
  O  O43  1  0.788  0.950  0.675  1.0
[/CIF]
.