data_global
_chemical_name_mineral 'Hectorite-(Cs)'
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
;
 Fehlordnung bei smectiten in abhangigkeit vom zwischenschichtkation
 Note: isostructural with hectorite
;
_database_code_amcsd 0015819
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cs.601 (Mg2.398 Li.602) 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
_exptl_crystal_density_diffrn      2.960
_symmetry_space_group_name_H-M 'C 1 2/m 1'
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'
  '-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
Cs   0.00000   0.00000   0.00000   0.60150   0.02000
Mg1   0.00000   0.16650   0.50000   0.80500   0.00960
Li1   0.00000   0.16650   0.50000   0.19500   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
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
Cs 0.01910 0.02190 0.01910 0.00000 0.00360 0.00000
Mg1 0.00700 0.00940 0.01260 0.00000 0.00220 0.00000
Li1 0.00700 0.00940 0.01260 0.00000 0.00220 0.00000
Mg2 0.00520 0.00900 0.01120 0.00000 0.00250 0.00000
Li2 0.00520 0.00900 0.01120 0.00000 0.00250 0.00000
Si 0.00650 0.00850 0.01040 0.00030 0.00190 0.00040
O1 0.00870 0.00870 0.01200 -0.00040 0.00200 0.00010
O2 0.01700 0.01200 0.01180 0.00000 0.00200 0.00000
O3 0.01320 0.01720 0.01140 0.00010 0.00160 0.00260
F 0.01050 0.01380 0.01380 0.00000 0.00260 0.00000