data_1001596
_chemical_name_systematic          'Cadmium divanadium(III) bis(diphosphate)'
_chemical_formula_structural       'Cd V2 (P2 O7)2'
_chemical_formula_sum              'Cd O14 P4 V2'
_publ_section_title                'CdV~2~(P~2~O~7~)~2~'
loop_
_publ_author_name
  'Boudin, S'
  'Grandin, A'
  'Leclaire, A'
  'Borel, M M'
  'Raveau, B'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    50
_journal_year                      1994
_journal_page_first                840
_journal_page_last                 842
_cell_length_a                     4.7833(6)
_cell_length_b                     6.9698(8)
_cell_length_c                     7.7644(8)
_cell_angle_alpha                  89.41(1)
_cell_angle_beta                   87.77(1)
_cell_angle_gamma                  73.16(1)
_cell_volume                       247.6
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  V3+    3.000
  P5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cd1   Cd2+   1 a 0. 0. 0. 1.  0 d
  V1    V3+    1 b 0. 0. 0.5 1.  0 d
  V2    V3+    1 e 0.5 0.5 0. 1.  0 d
  P1    P5+    2 i 0.61504(7) 0.78903(5) 0.28111(5) 1.  0 d
  P2    P5+    2 i 0.03341(7) 0.38306(5) 0.24804(5) 1.  0 d
  O1    O2-    2 i 0.3861(2) 0.8415(2) 0.4226(2) 1.  0 d
  O2    O2-    2 i 0.1789(2) 0.0779(2) 0.7297(1) 1.  0 d
  O3    O2-    2 i 0.0792(3) 0.2191(2) 0.3769(2) 1.  0 d
  O4    O2-    2 i 0.3091(2) 0.4396(2) 0.2072(2) 1.  0 d
  O5    O2-    2 i 0.4959(2) 0.7742(2) 0.1019(2) 1.  0 d
  O6    O2-    2 i 0.8945(2) 0.3303(2) 0.0852(1) 1.  0 d
  O7    O2-    2 i 0.8019(3) 0.5693(2) 0.3332(2) 1.  0 d
_refine_ls_R_factor_all            0.021