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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016197.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_9016197
loop_
_publ_author_name
'Amoros, P.'
'Beltran-Porter D'
'Le Bail, A.'
'Ferey, G.'
'Villeneuve, G.'
_publ_section_title
;
 Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved
 from X-ray powder diffraction
 _cod_database_code 1000081
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              599
_journal_page_last               607
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'O6 P Rb V'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.8182
_cell_length_b                   9.291
_cell_length_c                   17.631
_cell_formula_units_Z            8
_cell_volume                     1116.887
_database_code_amcsd             0012525
_exptl_crystal_density_diffrn    3.133
_cod_original_formula_sum        'Rb V P O6'
_cod_database_code               9016197
_amcsd_formula_title             Rb(VO2)(HPO4)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb 0.27330 0.81280 0.10010
V 0.01300 0.95280 0.75810
P 0.80200 0.89260 0.59770
O1 0.85200 0.75600 0.56100
O2 0.75400 0.01300 0.53870
O3 0.10500 0.88800 0.85390
O4 0.48200 0.94600 0.84800
O5 0.00000 0.87900 0.23800
O6 0.20400 0.09600 0.22600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012525