#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016219.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_9016219
loop_
_publ_author_name
'Fourquet, J.'
'Plet, F.'
'de Pape, R.'
_publ_section_title
;
 La structure cristalline de Rb2 Al F5, H2 O. Retour critique sur
 le type structural Tl2 Al F5
 _cod_database_code 1000200
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              19
_journal_page_last               26
_journal_volume                  18
_journal_year                    1981
_chemical_formula_sum            'Al F5 O Rb2'
_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                   9.604
_cell_length_b                   8.379
_cell_length_c                   7.542
_cell_formula_units_Z            4
_cell_volume                     606.919
_database_code_amcsd             0015391
_exptl_crystal_density_diffrn    3.381
_cod_duplicate_entry             1000200
_cod_original_formula_sum        'Rb2 Al F5 O'
_cod_database_code               9016219
_amcsd_formula_title             'Al F5 H2 O Rb2'
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Rb1 0.02470 0.01940 0.01570 -0.00670 0.00000 0.00000
Al1 0.01260 0.00950 0.00610 0.00000 0.00000 -0.00090
F1 0.01420 0.02420 0.01660 0.00000 0.00000 -0.00340
F2 0.03080 0.01130 0.01720 0.00000 0.00000 0.00240
F3 0.02920 0.02180 0.00660 0.00000 0.00000 0.00000
O1 0.03370 0.02370 0.03680 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb1 0.28350 0.21950 0.25000
Al1 0.00000 0.00000 0.00000
F1 0.18460 0.00000 0.00000
F2 0.00000 0.21380 0.00900
F3 0.00000 0.99060 0.25000
O1 0.00000 0.45670 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015391
