data_global _chemical_name_mineral 'Metanatrolite' loop_ _publ_author_name 'Joswig W' 'Baur W H' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1995 _journal_year 1995 _journal_page_first 26 _journal_page_last 38 _publ_section_title ; The extreme collapse of a framework of NAT topology: the crystal structure of a metanatrolite (dehydrated natrolite) at 548 K Sample: T = 548 K ; _database_code_amcsd 0014871 _chemical_compound_source 'Salesl, Czech Republic' _chemical_formula_sum 'Si2.691 Al1.817 O10 Na1.67' _cell_length_a 16.277 _cell_length_b 17.045 _cell_length_c 6.434 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90.08 _cell_volume 1785.057 _exptl_crystal_density_diffrn 2.404 _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_occupancy _atom_site_U_iso_or_equiv Si11 0.00000 0.00000 -0.01290 0.88800 0.04170 Si12 0.25000 0.25000 0.24330 0.90000 0.04010 Si21 0.13708 0.23414 0.61440 0.90300 0.04100 Si22 0.11015 0.97849 0.36090 0.89400 0.04160 Al11 0.02695 0.10535 0.60650 0.91900 0.04480 Al12 0.26789 0.14297 0.86100 0.89800 0.04200 O11 0.04160 0.06950 0.85600 1.00000 0.06400 O12 0.23780 0.17200 0.10800 1.00000 0.06100 O21 0.04340 0.20730 0.59600 1.00000 0.05500 O22 0.20690 -0.04250 0.35000 1.00000 0.05400 O31 0.09130 0.06910 0.40700 1.00000 0.05800 O32 0.14780 0.30330 0.78030 1.00000 0.06800 O41 0.07120 -0.07610 0.54070 1.00000 0.06300 O42 0.19240 0.16060 0.68080 1.00000 0.06900 O51 0.07210 -0.04090 0.13690 1.00000 0.05900 O52 0.16840 0.26440 0.38490 1.00000 0.06300 Na1 0.06110 0.18310 0.13100 0.85000 0.10800 Na2 0.31000 0.06830 0.33200 0.41000 0.07800 Na21 0.28440 0.07010 0.40900 0.41000 0.08600