#------------------------------------------------------------------------------
#$Date: 2024-08-07 20:09:39 +0300 (Wed, 07 Aug 2024) $
#$Revision: 294031 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000833.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_9000833
loop_
_publ_author_name
'Guggenheim, S.'
_publ_section_title
;
 Cation ordering in lepidolite
 type 2M(2)  from Radkovice
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1221
_journal_page_last               1232
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al1.158 F K Li1.24 O11 Si3.492'
_chemical_name_mineral           Lepidolite-2M2
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.48
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.023
_cell_length_b                   5.197
_cell_length_c                   20.171
_cell_volume                     932.952
_database_code_amcsd             0000850
_exptl_crystal_density_diffrn    2.649
_cod_original_formula_sum        'K Li1.24 Al1.158 Si3.492 O11 F'
_cod_database_code               9000833
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.50000 0.40970 0.25000 1.00000
Li1 0.25000 0.25000 0.00000 1.00000
Al1_1 0.58561 0.24370 0.00005 0.32500
Li2 0.58561 0.24370 0.00005 0.12000
Si1 0.79426 0.40780 0.13397 0.87300
Al1_2 0.79426 0.40780 0.13397 0.12700
Si2 0.12556 0.41360 0.13394 0.87300
Al2 0.12556 0.41360 0.13394 0.12700
O1 0.76760 0.39370 0.05270 1.00000
O2 0.09050 0.42610 0.05283 1.00000
O3 0.44680 0.42910 0.04923 0.50000
F3 0.44680 0.42910 0.04923 0.50000
O4 0.70580 0.17740 0.16634 1.00000
O5 0.23800 0.17850 0.16219 1.00000
O6 0.97160 0.37870 0.16611 1.00000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_atom_labels 10224 2024-08-07 11:09:31Z saulius
;
2024-08-07T19:38:06+03:00
;Changed the following '_atom_site_label' values:
the first duplicated label 'Al1'  converted to 'Al1_1'
duplicated label 'Al1' at index 5 converted to 'Al1_2'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000850
