data_global
_amcsd_formula_title 'Rb9Al9Si27O72*17H2O'
loop_
_publ_author_name
'Yang P'
'Armbruster T'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 123 
_journal_year 1996
_journal_page_first 140
_journal_page_last 149
_publ_section_title
;
 Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure
 refinements at 100 K
 Sample: T = 100 K
;
_database_code_amcsd 0013886
_chemical_compound_source 'Nasik, India'
_chemical_formula_sum 'Rb2.11 (Al2.15 Si6.85) O22.34 H8.68'
_cell_length_a 17.6860
_cell_length_b 18.0070
_cell_length_c 7.403
_cell_angle_alpha 90
_cell_angle_beta 116.15
_cell_angle_gamma 90
_cell_volume 2116.326
_exptl_crystal_density_diffrn      2.501
_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
Rb1   0.00600   0.89710   0.41500   0.15000   0.11272
Rb2  -0.06930   0.00000   0.82500   0.28000   0.06839
Rb2*   0.08300   0.00000   0.24500   0.11000   0.05003
Rb3   0.75090   0.50000  -0.06570   0.89000   0.02229
Rb3*   0.28700   0.00000   0.02400   0.04000   0.05003
Rb4  -0.00030   0.50000   0.56370   0.33000   0.06586
Rb4*   0.02990   0.50000   0.15800   0.16000   0.06079
Al1   0.17932   0.17018   0.10050   0.23000   0.01051
Si1   0.17932   0.17018   0.10050   0.77000   0.01051
Al2   0.28493   0.08907   0.49600   0.42000   0.01279
Si2   0.28493   0.08907   0.49600   0.58000   0.01279
Al3   0.29412   0.30910   0.28710   0.20000   0.01089
Si3   0.29412   0.30910   0.28710   0.80000   0.01089
Al4   0.06550   0.29958   0.41410   0.15000   0.01178
Si4   0.06550   0.29958   0.41410   0.85000   0.01178
Al5   0.00000   0.21850   0.00000   0.15000   0.01292
Si5   0.00000   0.21850   0.00000   0.85000   0.01292
O1   0.30190   0.00000   0.54270   1.00000   0.03040
O2   0.23000   0.12050   0.61300   1.00000   0.02242
O3   0.18380   0.15670   0.88920   1.00000   0.02432
O4   0.23050   0.10190   0.24880   1.00000   0.02457
O5   0.00000   0.32910   0.50000   1.00000   0.02660
O6   0.08110   0.16460   0.06150   1.00000   0.02077
O7   0.37870   0.26880   0.45420   1.00000   0.02736
O8   0.00890   0.27230   0.18370   1.00000   0.02596
O9   0.21650   0.25060   0.19660   1.00000   0.02470
O10   0.12150   0.37080   0.41430   1.00000   0.02584
Wat1   0.09100   0.00000   0.01000   0.20000   0.10005
Wat2   0.40710  -0.09080   0.04800   1.00000   0.12918
Wat3  -0.06500   0.00000   0.25000   0.81000   0.12285
Wat4   0.00000   0.54300   0.00000   0.27000   0.06459
Wat5  -0.06600   0.04200   0.69300   0.19000   0.06358
Wat6   0.86060   0.00000   0.31300   0.38000   0.00887
Wat7  -0.01800   0.00000   0.94700   0.30000   0.01140