#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009229.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_9009229
_chemical_name 'Polylithionite'
loop_
_publ_author_name
'Swanson T H'
'Bailey S W'
_journal_name_full "Clays and Clay Minerals"
_journal_volume 29
_journal_year 1981
_journal_page_first 81
_journal_page_last 90
_publ_section_title
;
 Redetermination of the lepidolite-2M_1 structure
 Locality: Bikupice, Czech Republic
;
_chemical_formula_sum 'K Li1.63 Fe.02 Mg.12 Al1.16 Si4 O10.48 F1.52 H2'
_cell_length_a 5.199
_cell_length_b 9.026
_cell_length_c 19.9690
_cell_angle_alpha 90
_cell_angle_beta 95.41
_cell_angle_gamma 90
_cell_volume 932.895
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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
_atom_site_Uiso_or_equiv
K   0.00000   0.08910   0.25000   1.00000   0.02204
LiM1   0.25000   0.75000   0.00000   0.93000   0.02394
Fe3+M1   0.75690   0.58600   0.00000   0.01000   0.02394
MgM1   0.75690   0.58600   0.00000   0.06000   0.02394
AlM2   0.75690   0.58600   0.00000   0.58000   0.00836
LiM2   0.75690   0.58600   0.00000   0.35000   0.00836
Si1   0.46200   0.92300   0.13420   1.00000   0.00874
Si2   0.95720   0.75500   0.13420   1.00000   0.00988
O1   0.44330   0.92620   0.05290   1.00000   0.01659
O2   0.91730   0.75270   0.05290   1.00000   0.01659
O3   0.93980   0.58820   0.16670   1.00000   0.01938
O4   0.23580   0.82300   0.16310   1.00000   0.01570
O5   0.73620   0.85420   0.16620   1.00000   0.01925
F   0.44540   0.57200   0.04970   0.76000   0.03268
O-H   0.44540   0.57200   0.04970   0.24000   0.03268