data_Cd2As2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.96
_cell_angle_alpha   97.26
_cell_angle_beta   97.26
_cell_angle_gamma   104.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2As2O7
_chemical_formula_sum   'Cd2 As2 O7'
_cell_volume   159.53
_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  0.04  0.19  0.43  1.0
  Cd  Cd1  1  0.04  0.81  0.43  1.0
  As  As2  1  0.68  0.0  0.41  1.0
  As  As3  1  0.41  0.0  0.44  1.0
  O  O4  1  0.16  0.43  0.35  1.0
  O  O5  1  0.93  0.43  0.5  1.0
  O  O6  1  0.93  0.57  0.5  1.0
  O  O7  1  0.16  0.57  0.35  1.0
  O  O8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.56  0.0  0.8  1.0
  O  O10  1  0.53  0.0  0.05  1.0

data_Cd2As2O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   104.84
_cell_angle_beta   97.26
_cell_angle_gamma   97.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2As2O7
_chemical_formula_sum   'Cd2 As2 O7'
_cell_volume   159.53
_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  0.43  0.04  0.19  1.0
  Cd  Cd1  1  0.43  0.04  0.81  1.0
  As  As2  1  0.41  0.68  0.0  1.0
  As  As3  1  0.44  0.41  0.0  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.05  0.53  0.0  1.0
  O  O6  1  0.35  0.16  0.43  1.0
  O  O7  1  0.35  0.16  0.57  1.0
  O  O8  1  0.5  0.93  0.43  1.0
  O  O9  1  0.5  0.93  0.57  1.0
  O  O10  1  0.8  0.56  0.0  1.0

Cd Cd As As O O O O O O O
Cd Cd As As O O O O O O O 0 5 - o o 0 4 o o o 0 8 o o o 1 6 - o o 1 7 o o o 1 8 o + + 1 8 o + o 2 10 o o o 2 3 o o o 2 8 + o o 3 9 o o o 3 8 o o o 4 7 o o o 4 8 o o o 5 6 o o o 8 9 - o - 8 10 - o o 9 10 o o + 
Cd2As2O7 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one O(1), one O(2), and one O(5) atom. The Cd(1)-As(1) bond length is 2.12 Å. The Cd(1)-As(2) bond length is 2.65 Å. The Cd(1)-O(1) bond length is 1.50 Å. The Cd(1)-O(2) bond length is 1.71 Å. The Cd(1)-O(5) bond length is 2.22 Å. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to one As(1), one As(2), one O(3), one O(4), and one O(5) atom. The Cd(2)-As(1) bond length is 2.65 Å. The Cd(2)-As(2) bond length is 2.12 Å. The Cd(2)-O(3) bond length is 1.50 Å. The Cd(2)-O(4) bond length is 1.71 Å. The Cd(2)-O(5) bond length is 2.53 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Cd(1), one Cd(2), one As(2), one O(2), one O(6), and one O(7) atom. The As(1)-As(2) bond length is 1.62 Å. The As(1)-O(2) bond length is 2.51 Å. The As(1)-O(6) bond length is 2.17 Å. The As(1)-O(7) bond length is 1.88 Å. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Cd(1), one Cd(2), one As(1), one O(4), one O(6), and one O(7) atom. The As(2)-O(4) bond length is 2.51 Å. The As(2)-O(6) bond length is 1.88 Å. The As(2)-O(7) bond length is 2.17 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cd(1) and one O(4) atom. The O(1)-O(4) bond length is 0.80 Å. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cd(1), one As(1), and one O(3) atom. The O(2)-O(3) bond length is 0.80 Å. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(2) and one O(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cd(2), one As(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cd(1) and one Cd(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one O(7) atom. The O(6)-O(7) bond length is 1.26 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one As(1), one As(2), and one O(6) atom.