#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007760.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_9007760
loop_
_publ_author_name
'Kanke, Y.'
'Kato, K.'
'Takayama-Muromachi E'
'Isobe, M.'
_publ_section_title
;
 Structure of Na0.56V2O5
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              536
_journal_page_last               538
_journal_paper_doi               10.1107/S0108270189008589
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na0.56V2O5
_chemical_formula_sum            'Na0.56 O5 V2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.91
_cell_angle_gamma                90
_cell_length_a                   11.663
_cell_length_b                   3.6532
_cell_length_c                   8.92
_cell_formula_units_Z            4
_cell_volume                     380.009
_database_code_amcsd             0010120
_exptl_crystal_density_diffrn    3.404
_cod_original_formula_sum        'V2 O5 Na.56'
_cod_database_code               9007760
_amcsd_formula_title             Na0.56V2O5
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V1 0.93676 0.00000 0.16574 1.00000 0.00874
V2 0.23279 0.00000 0.16614 1.00000 0.00904
O1 0.40150 0.00000 0.13670 1.00000 0.01229
O2 0.08120 0.00000 0.09980 1.00000 0.01191
O3 0.76140 0.00000 0.11880 1.00000 0.01305
O4 0.95410 0.00000 0.34570 1.00000 0.01824
O5 0.21850 0.00000 0.34510 1.00000 0.02153
Na 0.59930 0.00000 0.48030 0.56000 0.05573
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010120
