data_global
_chemical_name_mineral 'Heulandite-K'
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 0013885
_chemical_compound_source 'Nasik, India'
_chemical_formula_sum 'K4.2 (Al4.3 Si13.7) O45.64 H19.28'
_cell_length_a 17.636
_cell_length_b 17.9340
_cell_length_c 7.397
_cell_angle_alpha 90
_cell_angle_beta 116.00
_cell_angle_gamma 90
_cell_volume 2102.776
_exptl_crystal_density_diffrn      2.234
_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
K1   0.01010  -0.09670   0.41300   0.26000   0.15578
K3   0.75520   0.50000  -0.05820   0.90000   0.02900
K3*   0.29000   0.00000   0.04800   0.06000   0.04813
K4   0.02900   0.50000   0.17080   0.44000   0.04395
K4*   0.01300   0.50000   0.42500   0.10000   0.05003
K4*   0.50000   0.00000   0.50000   0.16000   0.05003
Al1   0.17999   0.16907   0.10190   0.23000   0.01279
Si1   0.17999   0.16907   0.10190   0.77000   0.01279
Al2   0.28612   0.08907   0.49820   0.42000   0.01418
Si2   0.28612   0.08907   0.49820   0.58000   0.01418
Al3   0.29382   0.30981   0.28570   0.20000   0.01305
Si3   0.29382   0.30981   0.28570   0.80000   0.01305
Al4   0.06515   0.29789   0.41340   0.15000   0.01317
Si4   0.06515   0.29789   0.41340   0.85000   0.01317
Al5   0.00000   0.21625   0.00000   0.15000   0.01469
Si5   0.00000   0.21625   0.00000   0.85000   0.01469
O1   0.30520   0.00000   0.54750   1.00000   0.03293
O2   0.23020   0.11920   0.61400   1.00000   0.02837
O3   0.18580   0.15550   0.89160   1.00000   0.02723
O4   0.23210   0.10180   0.25100   1.00000   0.02520
O5   0.00000   0.32720   0.50000   1.00000   0.03407
O6   0.08140   0.16240   0.06240   1.00000   0.02229
O7   0.37890   0.27090   0.45210   1.00000   0.03242
O8   0.00860   0.26950   0.18430   1.00000   0.02913
O9   0.21600   0.25040   0.19680   1.00000   0.02419
O10   0.12110   0.36870   0.41010   1.00000   0.02584
Wat1   0.08900   0.00000   0.01800   0.18000   0.05319
Wat2   0.39910  -0.09300   0.04610   1.00000   0.07966
Wat3  -0.08110   0.00000   0.21600   0.73000   0.08232
Wat4   0.00000   0.00000   0.00000   0.16000   0.02153
Wat5   0.07530   0.00000   0.18300   0.98000   0.05193
Wat6   0.51300   0.00000   0.31800   0.12000   0.01140
Wat7   0.02100   0.00000   0.07000   0.14000   0.02026
Wat8   0.10400   0.00000   0.48000   0.18000   0.12285
Wat9   0.00000   0.45900   0.02000   0.12000   0.12247
Wat10   0.86200   0.00000   0.31600   0.17000   0.01140