#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015374.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_9015374
loop_
_publ_author_name
'Brosset, C.'
_publ_section_title
;
 Herstellung und Kristallbau der Verbindungen Tl Al F4 und Tl2 Al F5
 _cod_database_code 1011379
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              139
_journal_page_last               147
_journal_volume                  235
_journal_year                    1937
_chemical_formula_sum            'Al F5 K2 O'
_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                   9.19
_cell_length_b                   8.11
_cell_length_c                   7.45
_cell_formula_units_Z            4
_cell_volume                     555.255
_database_code_amcsd             0018213
_exptl_crystal_density_diffrn    2.586
_cod_duplicate_entry             1011379
_cod_original_formula_sum        'K2 Al F5 O'
_cod_database_code               9015374
_amcsd_formula_title             'Al F5 H2 K2 O'
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.21000 0.30000 0.25000
Al1 0.00000 0.00000 0.00000
F1 0.19000 0.00000 0.00000
F2 0.00000 0.23000 -0.03000
F3 0.00000 0.05000 0.25000
O1 0.00000 0.50000 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018213
