#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015856.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_9015856
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif, A.'
_publ_section_title
;
 Synthese et structure cristalline du dihydrogenodiphosphate de rubidium
 hemihydrate: Rb2H2P2O7 . 1/2H2O
 _cod_database_code 1007212
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              469
_journal_page_last               476
_journal_volume                  316
_journal_year                    1993
_chemical_formula_sum            'H O3.75 P Rb'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.568
_cell_length_b                   10.545
_cell_length_c                   7.773
_cell_formula_units_Z            16
_cell_volume                     1603.916
_database_code_amcsd             0012310
_exptl_crystal_density_diffrn    2.939
_cod_duplicate_entry             1007212
_cod_original_formula_sum        'Rb P O3.75 H'
_cod_database_code               9015856
_amcsd_formula_title             'H3 O7.5 P2 Rb2'
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 0.01421 0.84262 0.25000 1.00000
Rb2 0.22875 0.64913 0.75000 1.00000
Rb3 0.29738 0.17018 0.75000 1.00000
Rb4 0.03346 0.66682 0.75000 1.00000
P1 0.13860 0.95780 0.94060 1.00000
P2 0.13319 0.36230 0.55640 1.00000
O1 0.41190 0.53790 0.55140 1.00000
O2 0.12640 0.82030 0.97270 1.00000
O3 0.21080 0.00370 0.96040 1.00000
O4 0.61340 0.50410 0.75000 1.00000
O5 0.37860 0.00170 0.03920 1.00000
O6 0.20520 0.32440 0.49320 1.00000
O7 0.08250 0.27440 0.47850 1.00000
O8 0.61830 0.18610 0.75000 0.43000
O9 0.65940 0.16400 0.75000 0.57000
O10 0.54890 0.92280 0.25000 1.00000
H1 0.73800 0.08900 0.01000 1.00000
H2 0.60200 0.37800 0.03000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012310
