data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Peacor D R'
_journal_name_full 'American Mineralogist'
_journal_volume 58 
_journal_year 1973
_journal_page_first 676
_journal_page_last 680
_publ_section_title
;
 High temperature, single-crystal X-Ray study of natrolite
 T = 25 C
;
_database_code_amcsd 0000372
_chemical_formula_sum 'Si3 Al2 Na2 O12 H4'
_cell_length_a 18.43
_cell_length_b 18.71
_cell_length_c 6.52
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2248.261
_exptl_crystal_density_diffrn      2.247
_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_U_iso_or_equiv
Si1   0.00000   0.00000   0.00000   0.00659
Si2   0.15327   0.21139   0.62286   0.00608
Al   0.03740   0.09368   0.61540   0.00621
Na   0.22070   0.03080   0.61760   0.01697
O1   0.02280   0.06830   0.86540   0.01381
O2   0.07020   0.18180   0.60940   0.00823
O3   0.09830   0.03510   0.50050   0.01305
O4   0.20640   0.15290   0.72550   0.01292
O5   0.18050   0.22750   0.39000   0.01343
Wat   0.05630   0.18940   0.11090   0.02292
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1 0.00946 0.00798 0.00250 0.00087 0.00000 0.00000
Si2 0.00602 0.00638 0.00597 -0.00052 -0.00030 -0.00006
Al 0.00809 0.00461 0.00607 -0.00017 -0.00055 -0.00012
Na 0.01738 0.01614 0.01759 -0.00192 -0.00183 -0.00198
O1 0.02099 0.01348 0.00711 -0.00227 0.00061 0.00235
O2 0.00740 0.00887 0.00866 -0.00105 0.00000 -0.00019
O3 0.01342 0.01029 0.01557 0.00227 0.00061 -0.00599
O4 0.00981 0.01224 0.01671 0.00297 -0.00499 0.00117
O5 0.01411 0.01969 0.00642 -0.00262 0.00323 0.00235
Wat 0.02839 0.02288 0.01755 0.00192 -0.00073 -0.00062