#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007811.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_9007811
loop_
_publ_author_name
'Kata, K. V.'
'Kosuda, K.'
_publ_section_title
;
 Die Struktur der eindimensional fehlgeordneten blei-vanadiumbronze,
 Beta-Pb0.333V2O5
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1587
_journal_page_last               1590
_journal_paper_doi               10.1107/S0108270190000579
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Pb0.333V2O5
_chemical_formula_sum            'O15 Pb V6'
_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                 109.20
_cell_angle_gamma                90
_cell_length_a                   15.463
_cell_length_b                   3.6477
_cell_length_c                   10.116
_cell_formula_units_Z            2
_cell_volume                     538.849
_database_code_amcsd             0010173
_exptl_crystal_density_diffrn    4.640
_cod_original_formula_sum        'Pb V6 O15'
_cod_database_code               9007811
_amcsd_formula_title             Pb0.333V2O5
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
Pb 0.00441 0.00000 0.39393 0.50000 0.01578
V1 0.33523 0.00000 0.09809 1.00000 0.00551
V2 0.11725 0.00000 0.11544 1.00000 0.00847
V3 0.28438 0.00000 0.40822 1.00000 0.00632
O1 0.00000 0.00000 0.00000 1.00000 0.00109
O2 0.81360 0.00000 0.05030 1.00000 0.00840
O3 0.63390 0.00000 0.07780 1.00000 0.00760
O4 0.43510 0.00000 0.21610 1.00000 0.01410
O5 0.26360 0.00000 0.22170 1.00000 0.00810
O6 0.10960 0.00000 0.27060 1.00000 0.01310
O7 0.24320 0.00000 0.57430 1.00000 0.00970
O8 0.39380 0.00000 0.47080 1.00000 0.01440
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010173
