data_global
_chemical_name_mineral 'Natrolite'
loop_
_publ_author_name
'Seryotkin Y V'
'Bakakin V V'
'Fursenko B A'
'Belitsky I A'
'Joswig W'
'Radaelli P G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 17 
_journal_year 2005
_journal_page_first 305
_journal_page_last 313
_publ_section_title
;
 Structural evolution of natrolite during over-hydration: a high-pressure
 neutron diffraction study
 Note: Zeolite
 Sample: Khibiny massif, Kola Peninsula, Russia; P = 1.0 GPa
;
_database_code_amcsd 0007099
_chemical_formula_sum '(Na1.92 Mg.06 Ca.02) Al2 Si3 O13.5 D6.99'
_cell_length_a 18.8971
_cell_length_b 19.3142
_cell_length_c 6.4833
_cell_angle_alpha 90
_cell_angle_beta 91.5835
_cell_angle_gamma 90
_cell_volume 2365.386
_exptl_crystal_density_diffrn      2.329
_symmetry_space_group_name_H-M 'F 1 d 1'
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'
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
Na1  -0.02090   0.21800   0.38600   0.96000   0.03500
Mg1  -0.02090   0.21800   0.38600   0.03000   0.03500
Ca1  -0.02090   0.21800   0.38600   0.01000   0.03500
Na10   0.03290   0.28620   0.87600   0.96000   0.02900
Mg10   0.03290   0.28620   0.87600   0.03000   0.02900
Ca10   0.03290   0.28620   0.87600   0.01000   0.02900
Al1   0.04720   0.08570   0.61250   1.00000   0.01000
Al10  -0.03930  -0.08830   0.60360   1.00000   0.01600
Si1   0.00000   0.00470   0.00000   1.00000   0.00600
Si2  -0.08850   0.04320   0.35800   1.00000   0.01800
Si20   0.09420  -0.04330   0.37610   1.00000   0.00500
O1   0.02360   0.07060   0.86780   1.00000   0.01200
O10  -0.01850  -0.06090   0.85600   1.00000   0.02400
O2   0.08670   0.16760   0.60300   1.00000   0.01400
O20  -0.08020  -0.17000   0.59900   1.00000   0.01600
O3   0.10420   0.02030   0.53250   1.00000   0.01700
O30  -0.09600  -0.02640   0.49000   1.00000   0.01800
O4  -0.02900   0.09320   0.45500   1.00000   0.02500
O40   0.03610  -0.09720   0.45500   1.00000   0.01900
O5  -0.06990   0.02320   0.12520   1.00000   0.01500
O50   0.06370  -0.01880   0.15390   1.00000   0.01600
Ow6   0.05500   0.19350   0.11700   1.00000   0.01800
Ow60  -0.10360   0.33370   0.59900   0.50000   0.04600
Ow7   0.03310   0.31710   0.52100   1.00000   0.07100
Ow70  -0.06060   0.19730   0.76700   1.00000   0.04300
D61   0.05200   0.15260   0.05100   1.00000   0.06400
D62   0.09940   0.20070   0.19100   1.00000   0.05400
D601  -0.05500   0.32800   0.63000   0.40000   0.09000
D602  -0.06900   0.36800   0.54500   0.35000   0.04000
D603  -0.12300   0.31800   0.71500   0.18000   0.04600
D604  -0.14100   0.35000   0.48400   0.12000   0.04600
D71   0.01400   0.36800   0.46900   0.60000   0.07100
D72   0.09200   0.31500   0.49300   0.50000   0.07100
D73   0.05500   0.35700   0.41100   0.44000   0.07100
D74   0.06400   0.30900   0.38700   0.40000   0.07100
D701  -0.05180   0.15500   0.82800   1.00000   0.07900
D702  -0.10720   0.21110   0.80900   1.00000   0.07000