#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009802.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_9009802
_chemical_name 'Cs.5(Li.5Mg2.5)Si4O10F2'
loop_
_publ_author_name
'Breu J'
'Seidl W'
'Stoll A'
_journal_name_full "Zeitschrift fur Anorganische und Allgemeine Chemie"
_journal_volume 629
_journal_year 2003
_journal_page_first 503
_journal_page_last 515
_publ_section_title
;
 Disorder in smectites in dependence of the interlayer cation
 Locality: synthetic
 Note: hectorite structure
 Note: anisoU's taken from ICSD
;
_chemical_formula_sum 'Cs.601 (Li.602 Mg2.398) Si4 O10 F2'
_cell_length_a 5.2401
_cell_length_b 9.0942
_cell_length_c 10.7971
_cell_angle_alpha 90
_cell_angle_beta 99.21
_cell_angle_gamma 90
_cell_volume 507.897
_symmetry_space_group_name_H-M 'C 1 2/m 1'
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Cs   0.00000   0.00000   0.00000   0.60150   0.02000
Li1   0.00000   0.16650   0.50000   0.19500   0.00960
Mg1   0.00000   0.16650   0.50000   0.80500   0.00960
Mg2   0.50000   0.00000   0.50000   0.78800   0.00830
Li2   0.50000   0.00000   0.50000   0.21200   0.00830
Si   0.08110   0.33318   0.24443   1.00000   0.00840
O1   0.13120   0.33290   0.39472   1.00000   0.00980
O2  -0.44130   0.00000   0.18870   1.00000   0.01370
O3   0.18560   0.24840  -0.18845   1.00000   0.01400
F   0.13730   0.00000   0.40640   1.00000   0.01260