#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014257.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_9014257
loop_
_publ_author_name
'Bentrup, U.'
'Le Bail, A.'
'Duroy, H.'
'Fourquet, J.'
_publ_section_title
;
 Polymorphism of CsAlF4. Synthesis and structure of two new crystalline forms
 _cod_database_code 1000106
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              371
_journal_page_last               381
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'Al5 Cs5 F20'
_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                   11.8101
_cell_length_b                   11.8101
_cell_length_c                   13.3741
_cell_formula_units_Z            4
_cell_volume                     1865.399
_database_code_amcsd             0012552
_exptl_crystal_density_diffrn    4.200
_cod_duplicate_entry             1000106
_cod_original_formula_sum        'Cs5 Al5 F20'
_cod_database_code               9014257
_amcsd_formula_title             CsAlF4
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
Cs1 0.00000 0.00000 0.25000
Cs2 0.33910 0.84140 0.68500
Al1 0.50000 0.00000 0.00000
Al2 0.79270 0.07640 0.00600
F1 0.34450 -0.00040 0.01100
F2 0.13980 0.07170 0.01150
F3 0.07200 0.21900 0.13100
F4 0.92000 0.80100 0.87200
F5 0.21560 0.71560 0.50000
F6 0.00000 0.50000 0.13380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012552
