data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Baur W H'
'Joswig W'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1996 
_journal_year 1996
_journal_page_first 171
_journal_page_last 187
_publ_section_title
;
 The phases of natrolite occurring during dehydration and rehydration studied
 by single crystal X-ray diffraction methods between room temperature and 923 K
 Sample: T = 293 K, crystal III, "postnatrolite"
;
_database_code_amcsd 0014894
_chemical_compound_source 'Khibiny, Kola peninsula, Russia'
_chemical_formula_sum 'Na1.74 Al2 Si3 O11.5 H3'
_cell_length_a 18.221
_cell_length_b 18.331
_cell_length_c 6.536
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2183.084
_exptl_crystal_density_diffrn      2.223
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+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
Na   0.22380   0.02600   0.61100   0.87000   0.08300
Al   0.03630   0.09520   0.61510   1.00000   0.05500
Si1   0.00000   0.00000  -0.00240   1.00000   0.02890
Si2   0.15550   0.21340   0.62970   1.00000   0.05300
O1   0.02430   0.06880   0.86100   1.00000   0.06200
O2   0.07130   0.18370   0.60300   1.00000   0.03600
O3   0.09780   0.03680   0.48700   1.00000   0.08600
O4   0.20540   0.15130   0.72900   1.00000   0.06200
O5   0.18250   0.22690   0.40200   1.00000   0.05100
Wat   0.06210   0.18910   0.11900   0.75000   0.06100