data_global
_chemical_name_mineral 'Willhendersonite'
loop_
_publ_author_name
'Fischer R X'
'Kahlenberg V'
'Lengauer C L'
'Tillmanns E'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1317
_journal_page_last 1325
_publ_section_title
;
 Thermal behavior and structural transformation in the chabazite-type zeolite
 willhendersonite, KCaAl3Si3O12*5H2O
 Note: Room temperature
;
_database_code_amcsd 0004627
_chemical_compound_source 'Mayen, Eifel district, Germany'
_chemical_formula_sum 'K1.14 Ca.982 Al3 Si3 O17.11 H10.22'
_cell_length_a 9.248
_cell_length_b 9.259
_cell_length_c 9.533
_cell_angle_alpha 92.313
_cell_angle_beta 92.761
_cell_angle_gamma 89.981
_cell_volume 814.672
_exptl_crystal_density_diffrn      2.174
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-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   0.47540   0.89000   0.47120   0.23000   0.04900
K2   0.49090   0.45420   0.85340   0.50000   0.07700
K3   0.88600   0.48820   0.46130   0.41000   0.06000
Ca   0.20020   0.20080   0.20380   0.98200   0.01620
Al12a   0.34320   0.09260   0.85080   1.00000   0.01280
Al12b   0.88860   0.31300   0.09070   1.00000   0.01300
Al12c   0.09050   0.84760   0.34240   1.00000   0.01260
Si11a   0.31270   0.89420   0.10650   1.00000   0.01300
Si11b   0.10820   0.34430   0.85470   1.00000   0.01240
Si11c   0.85040   0.10350   0.33980   1.00000   0.01300
O11   0.74540   0.24430   0.98510   1.00000   0.01850
O12   0.69300   0.05650   0.26830   1.00000   0.01730
O13   0.97400   0.31570   0.73900   1.00000   0.01600
O21   0.15290   0.51250   0.84970   1.00000   0.01870
O22   0.47530   0.86170   0.16630   1.00000   0.01880
O23   0.82770   0.18780   0.49150   1.00000   0.01660
O31   0.24930   0.25050   0.81790   1.00000   0.01720
O32   0.93660   0.20990   0.23810   1.00000   0.01730
O33   0.78640   0.06410   0.76020   1.00000   0.01820
O41   0.05690   0.30440   0.01100   1.00000   0.01750
O42   0.30540   0.04380   0.02090   1.00000   0.01870
O43   0.05740   0.04100   0.63660   1.00000   0.01690
Wat1   0.22590   0.46010   0.26060   1.00000   0.03800
Wat2   0.45950   0.25050   0.23990   1.00000   0.04100
Wat3   0.22210   0.20870   0.45830   1.00000   0.03800
Wat4   0.47610   0.78400   0.44300   0.77000   0.08500
Wat5   0.76300   0.47500   0.43400   0.52000   0.07300
Wat6   0.48500   0.58400   0.43600   0.45000   0.09000
Wat7   0.56900   0.48900   0.45200   0.37000   0.14000