#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015064.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_9015064
loop_
_publ_author_name
'Fourquet, J. L.'
'Plet, F.'
'de Pape, R.'
_publ_section_title
;
 RbAlF4: Structure of Its beta Metastable Form and Description of
 the Mechanism of Its Irreversible and Topotactic Phase Transition
 beta to alpha
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1997
_journal_page_last               2000
_journal_paper_doi               10.1107/S0567740880007790
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Al5 F20 Rb5'
_space_group_IT_number           120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.666
_cell_length_b                   11.666
_cell_length_c                   12.551
_cell_formula_units_Z            4
_cell_volume                     1708.135
_database_code_amcsd             0009714
_exptl_crystal_density_diffrn    3.664
_cod_duplicate_entry             1000175
_cod_original_formula_sum        'Rb5 Al5 F20'
_cod_database_code               9015064
_amcsd_formula_title             RbAlF4
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
y,x,1/2-z
1/2+y,1/2+x,-z
y,-x,-z
1/2+y,1/2-x,1/2-z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,-y,z
1/2-x,1/2-y,1/2+z
-y,-x,1/2-z
1/2-y,1/2-x,-z
-y,x,-z
1/2-y,1/2+x,1/2-z
-x,y,1/2+z
1/2-x,1/2+y,+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb1 0.00000 0.00000 0.25000
Rb2 0.34150 0.84040 0.68810
Al1 0.50000 0.00000 0.00000
Al2 0.79260 0.07630 0.00070
F1 0.34450 0.00110 0.00150
F2 0.14190 0.06670 0.00120
F3 0.07770 0.20610 0.13850
F4 -0.08010 -0.21110 -0.14000
F5 0.21840 -0.28160 0.50000
F6 0.00000 0.50000 0.13790
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009714
