#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000834.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_9000834
loop_
_publ_author_name
'Guggenheim, S.'
_publ_section_title
;
 Cation ordering in lepidolite
 type 1M  from Radkovice
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1221
_journal_page_last               1232
_journal_volume                  66
_journal_year                    1981
_chemical_formula_sum            'Al1.808 F2 K Li1.56 O10 Si3.492'
_chemical_name_mineral           Lepidolite-1M
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.77
_cell_angle_gamma                90
_cell_length_a                   5.209
_cell_length_b                   9.011
_cell_length_c                   10.149
_cell_volume                     467.986
_exptl_crystal_density_diffrn    2.802
_[local]_cod_chemical_formula_sum_orig 'K Li1.56 Al1.808 Si3.492 O10 F2'
_cod_database_code               9000834
_amcsd_database_code             AMCSD#0000850
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.02521 0.02448 0.02614 0.00000 0.00388 0.00000
Li1 0.02521 0.02057 0.02619 0.00000 0.00853 0.00000
Al2 0.00822 0.00950 0.01073 0.00000 0.00129 0.00000
Li2 0.00822 0.00950 0.01073 0.00000 0.00129 0.00000
Si 0.00862 0.00860 0.01113 -0.00028 0.00150 -0.00005
Al 0.00862 0.00860 0.01113 -0.00028 0.00150 -0.00005
O1 0.02640 0.01193 0.01561 0.00000 -0.00026 0.00000
O2 0.01499 0.02304 0.01914 -0.00654 0.00414 -0.00137
O3 0.02255 0.01522 0.01123 -0.00280 0.00103 -0.00046
F 0.01658 0.05800 0.01511 0.00000 0.00284 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.00000 0.50000 0.00000 1.00000
Li1 0.00000 0.00000 0.50000 1.00000
Al2 0.00000 0.32890 0.50000 0.65000
Li2 0.00000 0.32890 0.50000 0.28000
Si 0.08100 0.16860 0.23203 0.87300
Al 0.08100 0.16860 0.23203 0.12700
O1 0.02180 0.00000 0.17500 1.00000
O2 0.32520 0.23190 0.16800 1.00000
O3 0.14180 0.17680 0.39450 1.00000
F 0.10760 0.50000 0.40170 1.00000