#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007812.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_9007812
loop_
_publ_author_name
'Kanke, Y.'
'Kato, K.'
'Takayama-Muromachi E'
'Isobe, M.'
'Kosuda, K.'
_publ_section_title
;
 Structure of K0.5V2O5
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1590
_journal_page_last               1592
_journal_paper_doi               10.1107/S0108270189014228
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     K0.5V2O5
_chemical_formula_sum            'K O10 V4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.6784
_cell_length_b                   11.6120
_cell_length_c                   18.6332
_cell_formula_units_Z            4
_cell_volume                     795.891
_database_code_amcsd             0010174
_exptl_crystal_density_diffrn    3.362
_cod_original_formula_sum        'V4 K O10'
_cod_database_code               9007812
_amcsd_formula_title             K0.5V2O5
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+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_U_iso_or_equiv
V1 0.00000 0.43426 0.42090 0.00773
V2 0.00000 0.73111 0.42018 0.00849
K 0.00000 0.08000 0.25000 0.02723
O1 0.00000 0.58100 0.04700 0.01026
O2 0.00000 0.45190 0.33550 0.01824
O3 0.00000 0.71210 0.33510 0.01570
O4 0.00000 0.25890 0.44210 0.01127
O5 0.00000 0.89890 0.06510 0.00836
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010174
