data_global
_chemical_name_mineral 'Heulandite-Na'
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 0013884
_chemical_compound_source 'Nasik, India'
_chemical_formula_sum 'Na2.84 Ca.76 (Al4.3 Si13.7) O46.7 H21.4'
_cell_length_a 17.6770
_cell_length_b 17.931
_cell_length_c 7.426
_cell_angle_alpha 90
_cell_angle_beta 116.47
_cell_angle_gamma 90
_cell_volume 2107.039
_exptl_crystal_density_diffrn      2.152
_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
Na1   0.02500  -0.09100   0.48100   0.13000   0.10132
Na3   0.17900   0.00000   0.67600   0.58000   0.03293
Na4   0.03580   0.48500   0.25000   0.29000   0.04179
Ca1   0.15600   0.00000   0.68000   0.22000   0.04559
Ca2   0.54200   0.00000   0.19400   0.16000   0.01773
Al1   0.17931   0.17025   0.09656   0.23000   0.01201
Si1   0.17931   0.17025   0.09656   0.77000   0.01201
Al2   0.28931   0.08985   0.50060   0.42000   0.01418
Si2   0.28931   0.08985   0.50060   0.58000   0.01418
Al3   0.29150   0.31041   0.28324   0.20000   0.01191
Si3   0.29150   0.31041   0.28324   0.80000   0.01191
Al4   0.06468   0.29752   0.41023   0.15000   0.01331
Si4   0.06468   0.29752   0.41023   0.85000   0.01331
Al5   0.00000   0.21311   0.00000   0.15000   0.01279
Si5   0.00000   0.21311   0.00000   0.85000   0.01279
O1   0.30580   0.00000   0.54230   1.00000   0.02799
O2   0.23230   0.11810   0.61570   1.00000   0.02508
O3   0.18110   0.15450   0.88230   1.00000   0.02875
O4   0.23870   0.10720   0.25390   1.00000   0.02508
O5   0.00000   0.32420   0.50000   1.00000   0.03027
O6   0.08180   0.15870   0.06460   1.00000   0.02064
O7   0.37170   0.26660   0.45410   1.00000   0.03572
O8   0.00790   0.26660   0.18310   1.00000   0.02875
O9   0.20990   0.25510   0.17650   1.00000   0.02128
O10   0.11480   0.37190   0.39730   1.00000   0.02571
Wat1   0.22030   0.50000  -0.01550   0.96000   0.04471
Wat2   0.42640   0.07450   0.02440   0.66000   0.05193
Wat3   0.08300   0.00000   0.87300   0.34000   0.15287
Wat4   0.00000   0.50000   0.50000   1.00000   0.10132
Wat5   0.06060  -0.03760   0.70800   0.33000   0.04559
Wat6   0.09380   0.00000   0.28500   0.58000   0.04306
Wat7   0.41800   0.45900   0.64300   0.14000   0.06206
Wat8  -0.09200   0.60100   0.09000   0.24000   0.05953
Wat9   0.06700   0.00000   0.15000   0.16000   0.10005
Wat10   0.21900   0.00000   0.90000   0.07000   0.10005