data_global _chemical_name_mineral 'Natrolite' loop_ _publ_author_name 'Peacor D R' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 676 _journal_page_last 680 _publ_section_title ; High temperature, single-crystal X-Ray study of natrolite T = 25 C ; _database_code_amcsd 0000372 _chemical_formula_sum 'Si3 Al2 Na2 O12 H4' _cell_length_a 18.43 _cell_length_b 18.71 _cell_length_c 6.52 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2248.261 _exptl_crystal_density_diffrn 2.247 _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 Si1 0.00000 0.00000 0.00000 0.00659 Si2 0.15327 0.21139 0.62286 0.00608 Al 0.03740 0.09368 0.61540 0.00621 Na 0.22070 0.03080 0.61760 0.01697 O1 0.02280 0.06830 0.86540 0.01381 O2 0.07020 0.18180 0.60940 0.00823 O3 0.09830 0.03510 0.50050 0.01305 O4 0.20640 0.15290 0.72550 0.01292 O5 0.18050 0.22750 0.39000 0.01343 Wat 0.05630 0.18940 0.11090 0.02292 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 Si1 0.00946 0.00798 0.00250 0.00087 0.00000 0.00000 Si2 0.00602 0.00638 0.00597 -0.00052 -0.00030 -0.00006 Al 0.00809 0.00461 0.00607 -0.00017 -0.00055 -0.00012 Na 0.01738 0.01614 0.01759 -0.00192 -0.00183 -0.00198 O1 0.02099 0.01348 0.00711 -0.00227 0.00061 0.00235 O2 0.00740 0.00887 0.00866 -0.00105 0.00000 -0.00019 O3 0.01342 0.01029 0.01557 0.00227 0.00061 -0.00599 O4 0.00981 0.01224 0.01671 0.00297 -0.00499 0.00117 O5 0.01411 0.01969 0.00642 -0.00262 0.00323 0.00235 Wat 0.02839 0.02288 0.01755 0.00192 -0.00073 -0.00062