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
;
_database_code_amcsd 0006933
_chemical_formula_sum 'Ca Si3 Al2 O13 H6'
_cell_length_a 6.533
_cell_length_b 19.030
_cell_length_c 9.830
_cell_angle_alpha 90
_cell_angle_beta 109.95
_cell_angle_gamma 90
_cell_volume 1148.758
_exptl_crystal_density_diffrn      2.269
_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   0.16130   0.14323   0.05210   0.01320
Si1   0.50000   0.37057   0.00000   0.00810
Si2   0.22980   0.33184   0.20010   0.00770
Si3   0.54000   0.08257   0.33120   0.00750
Al1   0.93440   0.46209   0.09980   0.00810
Al2   0.35550   0.21662   0.43380   0.00770
O1   0.54200   0.03150   0.46080   0.01360
O2   0.44720   0.04600   0.17440   0.01100
O3   0.38360   0.15130   0.31560   0.01240
O4   0.11540   0.19980   0.46810   0.01300
O5   0.35350   0.29940   0.35820   0.01050
O6   0.08680   0.27120   0.09050   0.01260
O7   0.41430   0.35870   0.13450   0.01390
O8   0.07670   0.39560   0.21480   0.01350
O9   0.78940   0.11010   0.35650   0.01280
O10   0.66020   0.43690   0.03420   0.01410
Wat1   0.89080   0.08030   0.10830   0.03160
Wat2   0.90850   0.32600   0.44040   0.03570
Wat3   0.57820   0.44540   0.37420   0.02590