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: Li-natrolite, LI
;
_database_code_amcsd 0006391
_chemical_formula_sum '(Li1.66 Na.34) Si3 Al2 O12 H4'
_cell_length_a 17.678
_cell_length_b 18.509
_cell_length_c 6.488
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2122.887
_exptl_crystal_density_diffrn      2.213
_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
Li   0.21920   0.53760   0.12220   0.83000 ?
Na   0.21920   0.53760   0.12220   0.17000 ?
Si1   0.00000   0.00000   0.00000   1.00000 ?
Si2   0.14870   0.21470   0.62170   1.00000 ?
Al   0.21390   0.34310   0.86560   1.00000 ?
O1   0.01220   0.07300   0.86720   1.00000 ?
O2   0.18510   0.43190   0.85160   1.00000 ?
O3   0.14520   0.28380   0.77230   1.00000 ?
O4   0.29270   0.34510   0.70500   1.00000 ?
O5   0.92600   0.00950   0.14060   1.00000 ?
OW   0.20790   0.44970   0.36190   1.00000 ?
H1   0.03500   0.15900   0.12500   1.00000   0.02400
H2   0.08600   0.19800   0.16600   1.00000   0.01900
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
Li 0.06500 0.06900 0.03200 -0.00700 -0.01000 -0.01400
Na 0.06500 0.06900 0.03200 -0.00700 -0.01000 -0.01400
Si1 0.04000 0.01700 0.00200 0.00400 0.00000 0.00000
Si2 0.04100 0.01500 0.00300 0.00300 -0.00200 -0.00200
Al 0.04300 0.01300 0.00300 0.00000 0.00000 0.00200
O1 0.04800 0.01600 0.01200 -0.00100 0.01300 0.00400
O2 0.04200 0.02100 0.00400 0.00000 -0.00200 -0.00100
O3 0.05100 0.01800 0.00500 -0.00300 0.00000 -0.00600
O4 0.04900 0.02200 0.00800 0.00500 0.01000 0.00300
O5 0.04000 0.02800 0.01400 -0.00400 0.00100 -0.00400
OW 0.06100 0.03100 0.03000 -0.00100 0.01800 0.00000