data_global
_chemical_name_mineral 'Heulandite-Sr'
loop_
_publ_author_name
'Dobelin N'
'Armbruster T'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 527
_journal_page_last 533
_publ_section_title
;
 Stepwise dehydration of Sr-exchanged heulandite:
 A single-crystal X-ray study
 Note: dehydrated at 250 deg C, measured at -170 deg C
;
_database_code_amcsd 0002995
_chemical_formula_sum 'Sr1.73 (Si13.5 Al4.5) O44.3 H16.6'
_cell_length_a 17.60
_cell_length_b 17.59
_cell_length_c 7.408
_cell_angle_alpha 90
_cell_angle_beta 116.76
_cell_angle_gamma 90
_cell_volume 2047.776
_exptl_crystal_density_diffrn      2.234
_symmetry_space_group_name_H-M 'C 1 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'
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
Sr1   1.18300   0.00000   1.73200   0.31000   0.05066
Sr1*   0.95500   0.00000   0.61000   0.03000   0.05003
Sr2   0.79900   0.00000   0.23800   0.12000   0.00127
Sr2*   1.21200   0.00000   1.81400   0.18000   0.03546
Sr3   1.47200   0.00000   1.79100   0.19000   0.03926
Sr3*   1.52100   0.00000   1.25400   0.08000   0.05003
Sr4   1.48700   0.00000   1.71800   0.31000   0.05446
Sr7   0.76000   0.00000   0.05800   0.22000   0.03800
Sr7*   1.24900   0.00000   1.93900   0.29000   0.03673
Si1   0.81690   0.83210   0.90600   0.75000   0.02406
Al1   0.81690   0.83210   0.90600   0.25000   0.02406
Si1*   1.17770   1.16300   1.09400   0.75000   0.03040
Al1*   1.17770   1.16300   1.09400   0.25000   0.03040
Si2   0.69560   0.91000   0.48400   0.75000   0.03673
Al2   0.69560   0.91000   0.48400   0.25000   0.03673
Si2*   1.28900   1.08950   1.49900   0.75000   0.02406
Al2*   1.28900   1.08950   1.49900   0.25000   0.02406
Si3   0.71120   0.68980   0.72700   0.75000   0.02280
Al3   0.71120   0.68980   0.72700   0.25000   0.02280
Si3*   1.28590   1.31420   1.27700   0.75000   0.03800
Al3*   1.28590   1.31420   1.27700   0.25000   0.03800
Si4   0.93420   0.70380   0.58900   0.75000   0.02913
Al4   0.93420   0.70380   0.58900   0.25000   0.02913
Si4*   1.06390   1.28750   1.41300   0.75000   0.03293
Al4*   1.06390   1.28750   1.41300   0.25000   0.03293
Si5   0.99670   0.79430   0.99600   0.75000   0.02888
Al5   0.99670   0.79430   0.99600   0.25000   0.02888
O1   0.70100   0.00000   0.43400   1.00000   0.07219
O1*   1.31900   0.00000   1.55500   1.00000   0.03673
O2   0.76600   0.88300   0.38600   1.00000   0.04813
O2*   1.25700   1.11500   1.66000   1.00000   0.06459
O3   0.80100   0.85900   1.10600   1.00000   0.05066
O3*   1.17800   1.14750   0.88300   1.00000   0.02533
O4   0.75000   0.90300   0.73800   1.00000   0.04559
O4*   1.23500   1.11000   1.25400   1.00000   0.03546
O5   0.98400   0.68700   0.46700   1.00000   0.06586
O6   0.91400   0.84700   0.96400   1.00000   0.04559
O6*   1.07900   1.15180   1.06600   1.00000   0.02660
O7   0.63700   0.72700   0.53900   1.00000   0.05699
O7*   1.37500   1.26400   1.44400   1.00000   0.06839
O8   0.98700   0.74640   0.79800   1.00000   0.02786
O8*   1.02200   1.26700   1.17700   1.00000   0.07599
O9   0.79480   0.74520   0.84800   1.00000   0.02026
O9*   1.21300   1.24900   1.16700   1.00000   0.04433
O10   0.88900   0.63900   0.60900   1.00000   0.05826
O10*   1.10700   1.37700   1.40100   1.00000   0.05446
Wat1   1.29200   0.00000   2.02700   1.00000   0.06586
Wat3   1.50800   0.00000   1.49000   1.00000   0.23810
Wat4*   1.61300   0.85000   1.98000   0.35000   0.08992
Wat5   1.07600   0.00000   1.89800   0.71000   0.04179
Wat7   1.47000   1.09400   2.00500   0.47000   0.06206
Wat7*   1.39100   1.08900   2.07700   0.70000   0.10639
Wat8   1.01900   1.07200   1.54000   0.36000   0.08866
Wat11*   0.90500   0.00000   2.15300   0.53000   0.05319
Wat13   0.72500   0.00000   0.07900   1.00000   0.05193
Wat14   1.07800   0.00000   1.35000   0.30000   0.05699