data_global
_chemical_name_mineral 'Prehnite'
loop_
_publ_author_name
'Papike J J'
'Zoltai T'
_journal_name_full 'American Mineralogist'
_journal_volume 52
_journal_year 1967
_journal_page_first 974
_journal_page_last 984
_publ_section_title
;
 Ordering of tetrahedral aluminium in prehnite, Ca2(Al,Fe)[Si3AlO10](OH)2
;
_database_code_amcsd 157
_chemical_formula_sum 'Ca2 Al2 Si3 O12 H2'
_cell_length_a 4.646
_cell_length_b 5.483
_cell_length_c 18.486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 470.913
_exptl_crystal_density_diffrn  2.908
_symmetry_space_group_name_H-M 'P n c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
Ca   0.0  0.5  0.0992  1.0  0.00519
Al   0.0  0.0  0.0  1.0  0.00329
Si1   0.5  0.0  0.1195  1.0  0.00317
Si2   0.1895  0.25  0.25  0.5  0.00253
Al2   0.1895  0.25  0.25  0.5  0.00253
O1   0.7511  0.1323  0.0739  1.0  0.0057
O2   0.3686  0.213  0.1716  1.0  0.00747
O3   0.0  0.0  0.2687  1.0  0.01963
O-H   0.2054  0.3018  0.0  1.0  0.00861