data_global _chemical_name_mineral 'Natrolite' loop_ _publ_author_name 'Krogh Andersen E' 'Krogh Andersen I G' 'Ploug-Sorensen G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 2 _journal_year 1990 _journal_page_first 799 _journal_page_last 807 _publ_section_title ; Disorder in natrolites: structure determinations of three disordered natrolites and one lithium-exchanged disordered natrolite Example: Na III ; _database_code_amcsd 0006401 _chemical_formula_sum 'Na2 Al2 Si3 O12 H4' _cell_length_a 18.367 _cell_length_b 18.583 _cell_length_c 6.599 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2252.331 _exptl_crystal_density_diffrn 2.243 _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 0.22082 0.03022 0.62050 0.01925 Al 0.03778 0.09408 0.61794 0.00684 Si1 0.00000 0.00000 0.00000 0.00912 Si2 0.15402 0.21145 0.62497 0.00811 O1 0.02289 0.06952 0.86443 0.01811 O2 0.07029 0.18096 0.61588 0.01153 O3 0.09798 0.03609 0.50568 0.01558 O4 0.20849 0.15283 0.73077 0.01621 O5 0.17991 0.22730 0.39080 0.01798 O6 0.05675 0.19050 0.11679 0.02558 H1 0.05567 0.15061 0.06727 0.02533 H2 0.09284 0.19371 0.16636 0.02533