data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Wang H'
'Bish D L'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1191
_journal_page_last 1194
_publ_section_title
;
 A PH2O-dependent structural phase transition in the zeolite natrolite
 Sample: alpha1-metanatrolite
 Note: T = 400 C, P = 0.15 mbar
;
_database_code_amcsd 0004617
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Si3 Al2 Na2 O10'
_cell_length_a 16.167
_cell_length_b 16.938
_cell_length_c 6.4380
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 89.680
_cell_volume 1762.933
_exptl_crystal_density_diffrn      2.594
_symmetry_space_group_name_H-M 'F 1 1 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'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si11   0.00000   0.00000   0.00000   0.00900
Si12   0.25000   0.25000   0.25000   0.00900
Si21   0.13560   0.23350   0.61900   0.00900
Si22   0.11220  -0.01970   0.37000   0.00900
Al11   0.02460   0.10660   0.61500   0.00900
Al12   0.26850   0.13980   0.86300   0.00900
Na1   0.06830   0.19110   0.14900   0.05100
Na2   0.29120   0.07930   0.40300   0.05100
O11   0.04200   0.06740   0.86000   0.02000
O12   0.24170   0.17160   0.11200   0.02000
O21   0.03900   0.20780   0.61400   0.02000
O22   0.20960  -0.04000   0.35900   0.02000
O31   0.09500   0.06860   0.43700   0.02000
O32   0.14760   0.30440   0.78100   0.02000
O41   0.07360  -0.07850   0.54300   0.02000
O42   0.18740   0.15700   0.69300   0.02000
O51   0.07070  -0.03810   0.14600   0.02000
O52   0.16820   0.25840   0.39300   0.02000