data_global _chemical_name_mineral 'Natrolite' loop_ _publ_author_name 'Baur W H' 'Kassner D' 'Kim C' 'Sieber N H W' _journal_name_full 'European Journal of Mineralogy' _journal_volume 2 _journal_year 1990 _journal_page_first 761 _journal_page_last 769 _publ_section_title ; Flexibility and distortion of the framework of natrolite: crystal structures of ion-exchanged natrolites Sample: natrolite, NA ; _database_code_amcsd 0006392 _chemical_formula_sum 'Na2 Al2 Si3 O12 H4' _cell_length_a 18.307 _cell_length_b 18.623 _cell_length_c 6.5872 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2245.782 _exptl_crystal_density_diffrn 2.249 _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_U_iso_or_equiv Na 0.22070 0.53070 0.11800 ? Al 0.21240 0.34380 0.86570 ? Si1 0.00000 0.00000 0.00000 ? Si2 0.15350 0.21130 0.62340 ? O1 0.02260 0.06820 0.86560 ? O2 0.17940 0.43130 0.86130 ? O3 0.15200 0.28520 0.75170 ? O4 0.29290 0.34720 0.72560 ? O5 0.93070 0.02260 0.13930 ? OW 0.19340 0.43950 0.36200 0.02710 H1 0.05100 0.13800 0.03300 0.12700 H2 0.09400 0.19600 0.16000 0.09300 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na 0.02030 0.02050 0.02040 -0.00300 0.00270 -0.00010 Al 0.00830 0.00810 0.00900 0.00080 0.00140 -0.00060 Si1 0.01350 0.01110 0.00840 -0.00060 0.00000 0.00000 Si2 0.00870 0.01070 0.00790 -0.00120 0.00030 -0.00070 O1 0.02140 0.01520 0.01080 -0.00230 -0.00060 -0.00250 O2 0.01350 0.01290 0.00890 -0.00070 0.00060 -0.00280 O3 0.01270 0.01810 0.01650 -0.00150 -0.00290 -0.00780 O4 0.01470 0.02070 0.01390 0.00140 0.00480 0.00180 O5 0.01420 0.02230 0.01040 0.00350 0.00360 -0.00070