data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Alberti A'
'Cruciani G'
'Dauru I'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 7 
_journal_year 1995
_journal_page_first 501
_journal_page_last 508
_publ_section_title
;
 Order-disorder in natrolite-group minerals
;
_database_code_amcsd 0006590
_chemical_formula_sum 'Na2 (Si3.073 Al1.927) O12 H4'
_cell_length_a 18.347
_cell_length_b 18.561
_cell_length_c 6.587
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2243.128
_exptl_crystal_density_diffrn      2.252
_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   0.22080   0.03010   0.62090   1.00000   0.01545
Si1   0.00000   0.00000   0.00000   0.76500   0.00773
Al1   0.00000   0.00000   0.00000   0.23500   0.00773
Si2   0.15420   0.21130   0.62510   0.81500   0.00659
Al2   0.15420   0.21130   0.62510   0.18500   0.00659
Al   0.03780   0.09400   0.61790   0.66100   0.00684
Si   0.03780   0.09400   0.61790   0.33900   0.00684
O1   0.02290   0.06930   0.86400   1.00000   0.01621
O2   0.07040   0.18040   0.61690   1.00000   0.01001
O3   0.09810   0.03620   0.50620   1.00000   0.01431
O4   0.20880   0.15290   0.73060   1.00000   0.01418
O5   0.17970   0.22740   0.39200   1.00000   0.01735
OW   0.05700   0.19100   0.11800   1.00000   0.02558
H1   0.05800   0.15600   0.07800   1.00000   0.02153
H2   0.09500   0.19000   0.19100   1.00000   0.00887
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 0.01620 0.01660 0.02070 -0.00210 -0.00270 -0.00230
Si1 0.00880 0.00890 0.00550 0.00000 0.00000 0.00000
Al1 0.00880 0.00890 0.00550 0.00000 0.00000 0.00000
Si2 0.00600 0.00780 0.00700 -0.00050 0.00000 -0.00060
Al2 0.00600 0.00780 0.00700 -0.00050 0.00000 -0.00060
Al 0.00840 0.00630 0.00710 -0.00030 -0.00040 -0.00060
Si 0.00840 0.00630 0.00710 -0.00030 -0.00040 -0.00060
O1 0.02600 0.01200 0.01300 -0.00200 0.00100 0.00000
O2 0.00900 0.00900 0.01300 -0.00100 -0.00100 0.00000
O3 0.01200 0.01200 0.01800 0.00200 0.00100 -0.00400
O4 0.01400 0.01200 0.01500 0.00100 -0.00300 0.00100
O5 0.01400 0.02500 0.01200 -0.00200 0.00300 0.00000
OW 0.02500 0.02400 0.02500 0.00200 -0.00100 -0.00100