data_global _chemical_name_mineral 'Natrolite' loop_ _publ_author_name 'Baur W H' 'Joswig W' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1996 _journal_year 1996 _journal_page_first 171 _journal_page_last 187 _publ_section_title ; The phases of natrolite occurring during dehydration and rehydration studied by single crystal X-ray diffraction methods between room temperature and 923 K Sample: T = 293 K, crystal III, "postnatrolite" ; _database_code_amcsd 0014894 _chemical_compound_source 'Khibiny, Kola peninsula, Russia' _chemical_formula_sum 'Na1.74 Al2 Si3 O11.5 H3' _cell_length_a 18.221 _cell_length_b 18.331 _cell_length_c 6.536 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2183.084 _exptl_crystal_density_diffrn 2.223 _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 0.22380 0.02600 0.61100 0.87000 0.08300 Al 0.03630 0.09520 0.61510 1.00000 0.05500 Si1 0.00000 0.00000 -0.00240 1.00000 0.02890 Si2 0.15550 0.21340 0.62970 1.00000 0.05300 O1 0.02430 0.06880 0.86100 1.00000 0.06200 O2 0.07130 0.18370 0.60300 1.00000 0.03600 O3 0.09780 0.03680 0.48700 1.00000 0.08600 O4 0.20540 0.15130 0.72900 1.00000 0.06200 O5 0.18250 0.22690 0.40200 1.00000 0.05100 Wat 0.06210 0.18910 0.11900 0.75000 0.06100