#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015881.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015881
loop_
_publ_author_name
'Le Bail, A.'
'Lafontaine, M.'
_publ_section_title
;
 Structure determination of NiV2O6 from X-ray powder diffraction :
 A rutile-ramsdellite intergrowth
 _cod_database_code 1000094
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              671
_journal_page_last               680
_journal_volume                  27
_journal_year                    1990
_chemical_formula_sum            'Ni3 O18 V6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.16
_cell_angle_beta                 102.13
_cell_angle_gamma                94.19
_cell_length_a                   7.130
_cell_length_b                   4.791
_cell_length_c                   8.825
_cell_formula_units_Z            1
_cell_volume                     293.891
_database_code_amcsd             0012533
_exptl_crystal_density_diffrn    4.349
_cod_duplicate_entry             1000094
_cod_original_formula_sum        'Ni3 V6 O18'
_cod_database_code               9015881
_amcsd_formula_title             NiV2O6
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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012533
