data_2002496
_chemical_name_systematic          'Nickel divanadate'
_chemical_formula_structural       'Ni (V2 O6)'
_chemical_formula_sum              'Ni O6 V2'
_publ_section_title
;
Ein neuer Strukturtyp der Oxovanadate M V2 O6: Ni V2 O6
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Kobel, M'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    596
_journal_year                      1991
_journal_page_first                23
_journal_page_last                 28
_cell_length_a                     7.128(5)
_cell_length_b                     8.820(5)
_cell_length_c                     4.793(3)
_cell_angle_alpha                  90.24(6)
_cell_angle_beta                   94.10(6)
_cell_angle_gamma                  102.15(6)
_cell_volume                       293.8
_cell_formula_units_Z              3
_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
  Ni2+   2.000
  V5+    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
  Ni1   Ni2+   1 c 0. 0.5 0. 1.  0 d
  Ni2   Ni2+   2 i 0.0163(1) 0.1678(1) 0.0138(2) 1.  0 d
  V1    V5+    2 i 0.7138(1) 0.9689(1) 0.4562(2) 1.  0 d
  V2    V5+    2 i 0.7141(1) 0.6072(1) 0.4534(2) 1.  0 d
  V3    V5+    2 i 0.5817(1) 0.2631(1) 0.1177(2) 1.  0 d
  O1    O2-    2 i 0.1650(7) 0.4904(5) 0.3481(10) 1.  0 d
  O2    O2-    2 i 0.8477(6) 0.6395(5) 0.1676(9) 1.  0 d
  O3    O2-    2 i 0.1761(6) 0.6977(5) 0.8890(9) 1.  0 d
  O4    O2-    2 i 0.1537(6) 0.0187(5) 0.8313(9) 1.  0 d
  O5    O2-    2 i 0.1665(7) 0.8923(6) 0.3439(10) 1.  0 d
  O6    O2-    2 i 0.7900(6) 0.7997(5) 0.6362(9) 1.  0 d
  O7    O2-    2 i 0.4780(6) 0.9146(5) 0.7048(9) 1.  0 d
  O8    O2-    2 i 0.4761(6) 0.5784(5) 0.7051(9) 1.  0 d
  O9    O2-    2 i 0.5255(7) 0.7541(5) 0.2078(9) 1.  0 d
_refine_ls_R_factor_all            0.04