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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011241.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_9011241
loop_
_publ_author_name
'Kato, K.'
'Takayama, E.'
_publ_section_title
;
 Das entwaesserungsverhalten des natriummetavanadatdihydrats und die
 kristallstruktur des beta-natriummetavanadats
 Note: anisoB's corrected from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              102
_journal_page_last               105
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Na O3 V'
_chemical_name_mineral           Metamunirite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.147
_cell_length_b                   3.6496
_cell_length_c                   5.364
_cell_volume                     276.948
_exptl_crystal_density_diffrn    2.924
_[local]_cod_chemical_formula_sum_orig 'Na V O3'
_cod_database_code               9011241
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.02231 0.00607 0.03207 0.00000 0.00038 0.00000
V 0.00913 0.00405 0.01166 0.00000 0.00346 0.00000
O1 0.01521 0.01350 0.03498 0.00000 0.00884 0.00000
O2 0.02940 0.01417 0.02041 0.00000 0.01000 0.00000
O3 0.00913 0.00270 0.04373 0.00000 0.00615 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.33030 0.25000 -0.11500 0.02026
V 0.08440 0.25000 -0.07600 0.00760
O1 0.18400 0.25000 0.10000 0.02153
O2 0.11000 0.25000 -0.37300 0.02153
O3 -0.05200 0.25000 0.00600 0.01900