data_global
_chemical_name_mineral 'Scolecite'
loop_
_publ_author_name
'Comodi P'
'Gatta G D'
'Zanazzi P F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 14 
_journal_year 2002
_journal_page_first 567
_journal_page_last 574
_publ_section_title
;
 High-pressure structural behaviour of scolecite
 Sample: P = .0001 GPa (after compression)
 Note: y-coordinate of O5 altered to match bond lengths
;
_database_code_amcsd 0006936
_chemical_formula_sum 'Ca Si3 Al2 O13 H6'
_cell_length_a 6.542
_cell_length_b 18.842
_cell_length_c 9.863
_cell_angle_alpha 90
_cell_angle_beta 109.89
_cell_angle_gamma 90
_cell_volume 1143.234
_exptl_crystal_density_diffrn      2.279
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+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   0.16100   0.14330   0.05120   0.01220
Si1   0.50000   0.37076   0.00000   0.00720
Si2   0.22920   0.33187   0.19960   0.00700
Si3   0.53950   0.08247   0.33070   0.00660
Al1   0.93390   0.46211   0.09910   0.00750
Al2   0.35490   0.21648   0.43340   0.00670
O1   0.54120   0.03160   0.46070   0.01330
O2   0.44770   0.04550   0.17380   0.01090
O3   0.38300   0.15160   0.31540   0.01170
O4   0.11530   0.19950   0.46790   0.01280
O5   0.35290   0.29930   0.35790   0.00910
O6   0.08580   0.27130   0.09020   0.01110
O7   0.41470   0.35860   0.13500   0.01350
O8   0.07590   0.39570   0.21390   0.01260
O9   0.79000   0.10950   0.35700   0.01180
O10   0.66020   0.43690   0.03420   0.01260
Wat1   0.89060   0.08070   0.10750   0.03100
Wat2   0.90770   0.32590   0.43930   0.03500
Wat3   0.57850   0.44490   0.37430   0.02700