data_global
_chemical_name_mineral 'Gismondine'
loop_
_publ_author_name
'Vezzalini G'
'Quartieri S'
'Alberti A'
_journal_name_full 'Zeolites'
_journal_volume 13 
_journal_year 1993
_journal_page_first 34
_journal_page_last 42
_publ_section_title
;
 Structural modifications induced by dehydration in the zeolite gismondine
 Sample: dehydration t = 1 hr
;
_database_code_amcsd 0015868
_chemical_compound_source 'Montalto di Castro, Italy'
_chemical_formula_sum 'Ca Al2 Si2 O12 H8'
_cell_length_a 9.989
_cell_length_b 10.616
_cell_length_c 9.820
_cell_angle_alpha 90
_cell_angle_beta 92.57
_cell_angle_gamma 90
_cell_volume 1040.297
_exptl_crystal_density_diffrn      2.236
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.71550   0.06890   0.35790   0.02200
CaP   0.28370   0.93370   0.64070   0.02200
Al1   0.09650   0.11490   0.16790   0.00690
Al1f   0.09650   0.38510   0.66790   0.00690
Al2   0.58730   0.86450   0.14680   0.00640
Al2f   0.58730   0.63550   0.64680   0.00640
Si1   0.41630   0.11290   0.18360   0.00620
Si1f   0.41630   0.38710   0.68360   0.00620
Si2   0.90730   0.87170   0.16160   0.00580
Si2f   0.90730   0.62830   0.66160   0.00580
O1   0.08100   0.15760   0.99720   0.01400
O1f   0.08100   0.34240   0.49720   0.01400
O2   0.26190   0.08070   0.21460   0.01300
O2f   0.26190   0.41930   0.71460   0.01300
O3   0.44000   0.14780   0.02530   0.01100
O3f   0.44000   0.35220   0.52530   0.01100
O4   0.24870   0.40210   0.30370   0.01300
O4f   0.24870   0.09790   0.80370   0.01300
O5   0.99690   0.98830   0.21350   0.01300
O5f   0.99690   0.51170   0.71350   0.01300
O6   0.04350   0.24860   0.25600   0.00900
O6f   0.04350   0.25140   0.75600   0.00900
O7   0.47040   0.22580   0.27880   0.01000
O7f   0.47040   0.27420   0.77880   0.01000
O8   0.50880   0.99120   0.22830   0.01000
O8f   0.50880   0.50880   0.72830   0.01000
Wat1   0.25560   0.11840   0.49970   0.02600
Wat1P   0.74800   0.89920   0.50690   0.02100
Wat2   0.59310   0.11960   0.55410   0.01700
Wat2P   0.40340   0.85530   0.45820   0.01200
Wat3   0.90110   0.13700   0.49950   0.01300
Wat3P   0.08460   0.89480   0.49480   0.01800
Wat4   0.77430   0.25370   0.25570   0.02300
Wat7P   0.22860   0.77630   0.78340   0.02800