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 = 823 K, crystal III, "high natrolite" ; _database_code_amcsd 0014892 _chemical_compound_source 'Khibiny, Kola peninsula, Russia' _chemical_formula_sum 'Na2 Al2 Si3 O10' _cell_length_a 17.324 _cell_length_b 17.638 _cell_length_c 6.416 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1960.477 _exptl_crystal_density_diffrn 2.332 _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 Na1 0.06700 0.31200 0.30600 0.25000 0.14000 Na2 0.01700 0.32600 0.69000 0.25000 0.05600 Na3 -0.04100 0.31200 0.64700 0.25000 0.12000 Na4 0.11000 0.13600 0.06800 0.25000 0.15000 Al -0.02830 -0.10130 0.61280 1.00000 0.08000 Si1 0.00000 0.00000 -0.00200 1.00000 0.04800 Si2 -0.14630 -0.22470 0.62620 1.00000 0.07200 O1 0.02030 0.07040 0.83800 1.00000 0.15000 O2 0.05980 0.19780 0.61500 1.00000 0.09000 O3 -0.15250 -0.30290 0.71600 1.00000 0.12800 O4 0.19980 0.16260 0.74100 1.00000 0.17200 O5 0.17860 0.22450 0.40700 1.00000 0.10800