data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Baur W H'
'Kassner D'
'Kim C'
'Sieber N H W'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 2 
_journal_year 1990
_journal_page_first 761
_journal_page_last 769
_publ_section_title
;
 Flexibility and distortion of the framework of natrolite: crystal
 structures of ion-exchanged natrolites
 Sample: natrolite, NA
;
_database_code_amcsd 0006392
_chemical_formula_sum 'Na2 Al2 Si3 O12 H4'
_cell_length_a 18.307
_cell_length_b 18.623
_cell_length_c 6.5872
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2245.782
_exptl_crystal_density_diffrn      2.249
_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
Na   0.22070   0.53070   0.11800 ?
Al   0.21240   0.34380   0.86570 ?
Si1   0.00000   0.00000   0.00000 ?
Si2   0.15350   0.21130   0.62340 ?
O1   0.02260   0.06820   0.86560 ?
O2   0.17940   0.43130   0.86130 ?
O3   0.15200   0.28520   0.75170 ?
O4   0.29290   0.34720   0.72560 ?
O5   0.93070   0.02260   0.13930 ?
OW   0.19340   0.43950   0.36200   0.02710
H1   0.05100   0.13800   0.03300   0.12700
H2   0.09400   0.19600   0.16000   0.09300
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
Na 0.02030 0.02050 0.02040 -0.00300 0.00270 -0.00010
Al 0.00830 0.00810 0.00900 0.00080 0.00140 -0.00060
Si1 0.01350 0.01110 0.00840 -0.00060 0.00000 0.00000
Si2 0.00870 0.01070 0.00790 -0.00120 0.00030 -0.00070
O1 0.02140 0.01520 0.01080 -0.00230 -0.00060 -0.00250
O2 0.01350 0.01290 0.00890 -0.00070 0.00060 -0.00280
O3 0.01270 0.01810 0.01650 -0.00150 -0.00290 -0.00780
O4 0.01470 0.02070 0.01390 0.00140 0.00480 0.00180
O5 0.01420 0.02230 0.01040 0.00350 0.00360 -0.00070