data_global
_amcsd_formula_title 'NiV2O6'
loop_
_publ_author_name
'Le Bail A'
'Lafontaine M'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 27 
_journal_year 1990
_journal_page_first 671
_journal_page_last 680
_publ_section_title
;
 Structure determination of NiV2O6 from X-ray powder diffraction :
 A rutile-ramsdellite intergrowth
 _cod_database_code 1000094
;
_database_code_amcsd 0012533
_chemical_formula_sum 'Ni3 V6 O18'
_cell_length_a 7.130
_cell_length_b 4.791
_cell_length_c 8.825
_cell_angle_alpha 90.16
_cell_angle_beta 102.13
_cell_angle_gamma 94.19
_cell_volume 293.891
_exptl_crystal_density_diffrn      4.349
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni1   0.00000   0.00000   0.00000   1.00000
Ni2  -0.01400  -0.01310   0.33150   1.00000
V1   0.41920   0.88260   0.23340   0.88000
V2   0.72170   0.42570   0.80440   0.12000
V3   0.71580   0.45510   0.46770   1.00000
V4   0.71450   0.45220   0.11090   1.00000
O1   0.16780   0.34780  -0.00220   1.00000
O2   0.16730   0.35000   0.38370   1.00000
O3   0.20500   0.37060   0.70200   1.00000
O4   0.17510   0.87180   0.20090   1.00000
O5   0.15800   0.82470   0.52190   1.00000
O6   0.15660   0.83820   0.86240   1.00000
O7   0.52630   0.21920   0.24860   1.00000
O8   0.53170   0.27000   0.58140   1.00000
O9   0.51760   0.28220   0.92560   1.00000