#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000833.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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            'K Li1.24 Al1.158 Si3.492 O11 F'
_chemical_name_mineral           Lepidolite-2M2
_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_length_a                   9.023
_cell_length_b                   5.197
_cell_length_c                   20.171
_cell_volume                     932.952
loop_
_symmetry_equiv_pos_as_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 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 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_
_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 0.02203 0.02080 0.02326 0.00000 0.00296 0.00000
Li1 0.01204 0.00958 0.00983 0.00070 0.00359 0.00262
Al1 0.00843 0.00780 0.01003 -0.00047 0.00161 -0.00005
Li2 0.00843 0.00780 0.01003 -0.00047 0.00161 -0.00005
Si1 0.00730 0.00602 0.00880 -0.00056 0.00135 -0.00016
Al1 0.00730 0.00602 0.00880 -0.00056 0.00135 -0.00016
Si2 0.00658 0.00670 0.00874 -0.00019 0.00152 0.00000
Al2 0.00658 0.00670 0.00874 -0.00019 0.00152 0.00000
O1 0.02287 0.01163 0.00802 0.00141 0.00090 -0.00052
O2 0.01605 0.01806 0.00862 0.00539 0.00063 0.00016
O3 0.02408 0.04570 0.01223 -0.01945 0.00332 0.00105
F3 0.02408 0.04570 0.01223 -0.01945 0.00332 0.00105
O4 0.02046 0.01341 0.01805 -0.00750 0.00386 0.00000
O5 0.02167 0.01341 0.01464 0.00656 0.00063 -0.00136
O6 0.00963 0.02531 0.01725 -0.00070 0.00359 0.00105