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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000835.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_9000835
loop_
_publ_author_name
'Guggenheim, S.'
_publ_section_title
;
 Cation ordering in lepidolite
 Tanakamiyama
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1221
_journal_page_last               1232
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al1.128 F H K Li2 O11 Si3.868'
_chemical_name_mineral           Lepidolite-1M
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.77
_cell_angle_gamma                90
_cell_length_a                   5.242
_cell_length_b                   9.055
_cell_length_c                   10.097
_cell_volume                     470.825
_database_code_amcsd             0000852
_exptl_crystal_density_diffrn    2.737
_cod_original_formula_sum        'K Li2 Al1.128 Si3.868 O11 (F H)'
_cod_database_code               9000835
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,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
_atom_site_U_iso_or_equiv
K 0.00000 0.50280 0.00000 1.00000 0.02799
Li1 0.00000 -0.00600 0.50000 1.00000 0.00380
Al2 0.00000 0.32300 0.50000 1.00000 0.00836
Li3 0.50000 0.16100 0.50000 1.00000 0.01646
Si1 0.07560 0.17040 0.23090 0.96700 0.01077
Al1 0.07560 0.17040 0.23090 0.03200 0.01077
Si2 0.58630 0.33380 0.23020 0.96700 0.01102
Al2 0.58630 0.33380 0.23020 0.03200 0.01102
O1 0.04100 0.00200 0.17080 1.00000 0.01938
O2 0.31900 0.24300 0.16900 1.00000 0.02026
O3 0.81300 0.26000 0.16200 1.00000 0.01773
O4 0.11400 0.17500 0.39400 1.00000 0.01393
O5 0.66300 0.32800 0.39110 1.00000 0.01140
F 0.11000 0.47290 0.39850 0.50000 0.01267
O-H6 0.11000 0.47290 0.39850 0.50000 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000852