The material described by Na2Cd3(P2O7)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), 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,  an edgeedge with one Cd(1)O6 octahedra, and  an edgeedge with one Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form CdO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent 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  a cornercorner with one Cd(2)O6 octahedra, 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 51-65°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cd(2)O6 octahedra, 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 47-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cd(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cd(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Cd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Cd(1), one Cd(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Cd(1), one Cd(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Cd3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   7.154
_cell_length_c   7.981
_cell_angle_alpha   77.097
_cell_angle_beta   82.513
_cell_angle_gamma   68.231
_symmetry_Int_Tables_number   1
_cell_volume   296.693
_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
  Na  Na0  1  0.591  0.008  0.683  1.0
  Na  Na1  1  0.409  0.992  0.317  1.0
  Cd  Cd2  1  0.189  0.534  0.307  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.811  0.466  0.693  1.0
  P  P5  1  0.199  0.732  0.668  1.0
  P  P6  1  0.653  0.673  0.077  1.0
  P  P7  1  0.347  0.327  0.923  1.0
  P  P8  1  0.801  0.268  0.332  1.0
  O  O9  1  0.255  0.570  0.851  1.0
  O  O10  1  0.550  0.266  0.423  1.0
  O  O11  1  0.683  0.699  0.884  1.0
  O  O12  1  0.962  0.068  0.275  1.0
  O  O13  1  0.942  0.345  0.437  1.0
  O  O14  1  0.058  0.655  0.563  1.0
  O  O15  1  0.317  0.301  0.116  1.0
  O  O16  1  0.450  0.734  0.577  1.0
  O  O17  1  0.626  0.240  0.855  1.0
  O  O18  1  0.814  0.762  0.155  1.0
  O  O19  1  0.186  0.238  0.845  1.0
  O  O20  1  0.374  0.760  0.145  1.0
  O  O21  1  0.038  0.932  0.725  1.0
  O  O22  1  0.745  0.430  0.149  1.0
[/CIF]
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The material described by Na2Cd3(P2O7)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), 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,  an edgeedge with one Cd(1)O6 octahedra, and  an edgeedge with one Cd(2)O6 octahedra. In the second Cd site, Cd(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form CdO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent 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  a cornercorner with one Cd(2)O6 octahedra, 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 51-65°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cd(2)O6 octahedra, 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 47-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cd(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cd(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Cd(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Cd(1), one Cd(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Cd(1), one Cd(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Cd3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   7.154
_cell_length_c   7.981
_cell_angle_alpha   77.097
_cell_angle_beta   82.513
_cell_angle_gamma   68.231
_symmetry_Int_Tables_number   1
_cell_volume   296.693
_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
  Na  Na0  1  0.591  0.008  0.683  1.0
  Na  Na1  1  0.409  0.992  0.317  1.0
  Cd  Cd2  1  0.189  0.534  0.307  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.811  0.466  0.693  1.0
  P  P5  1  0.199  0.732  0.668  1.0
  P  P6  1  0.653  0.673  0.077  1.0
  P  P7  1  0.347  0.327  0.923  1.0
  P  P8  1  0.801  0.268  0.332  1.0
  O  O9  1  0.255  0.570  0.851  1.0
  O  O10  1  0.550  0.266  0.423  1.0
  O  O11  1  0.683  0.699  0.884  1.0
  O  O12  1  0.962  0.068  0.275  1.0
  O  O13  1  0.942  0.345  0.437  1.0
  O  O14  1  0.058  0.655  0.563  1.0
  O  O15  1  0.317  0.301  0.116  1.0
  O  O16  1  0.450  0.734  0.577  1.0
  O  O17  1  0.626  0.240  0.855  1.0
  O  O18  1  0.814  0.762  0.155  1.0
  O  O19  1  0.186  0.238  0.845  1.0
  O  O20  1  0.374  0.760  0.145  1.0
  O  O21  1  0.038  0.932  0.725  1.0
  O  O22  1  0.745  0.430  0.149  1.0
[/CIF]
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