data_global _chemical_name_mineral 'Mesolite' loop_ _publ_author_name 'Stuckenschmidt E' 'Kirfel A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 571 _journal_page_last 579 _publ_section_title ; Zeolites of NAT topology: Structure refinement of mesolite from single crystal X-ray data and comparison with the structures of natrolite and scolecite ; _database_code_amcsd 0006834 _chemical_formula_sum 'Na2 Ca2 Al6 Si9 O38 H16' _cell_length_a 18.4049 _cell_length_b 56.655 _cell_length_c 6.5443 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 6823.935 _exptl_crystal_density_diffrn 2.268 _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 0.96747 0.76095 0.63160 0.01920 Ca 0.22803 0.82739 0.88150 0.01160 Al1 0.78692 0.78024 0.61310 0.00640 Al10 0.95151 0.86235 0.89300 0.00660 Al100 0.03627 0.80211 0.89300 0.00660 Si1 0.75000 0.75000 0.00000 0.00700 Si10 0.00431 0.83181 0.27750 0.00680 Si2 0.15500 0.76431 0.87220 0.00620 Si20 0.08791 0.84687 0.65220 0.00660 Si200 0.90185 0.81979 0.65060 0.00640 O1 0.02290 0.80807 0.15230 0.01200 O10 0.98495 0.85318 0.12830 0.01470 O100 0.76808 0.77289 0.86490 0.01290 O2 0.82359 0.80834 0.59650 0.00880 O20 0.16645 0.85931 0.67110 0.01000 O200 0.07259 0.77381 0.86360 0.00900 O3 0.09621 0.82336 0.79470 0.01150 O30 0.88932 0.84186 0.80160 0.01220 O300 0.84344 0.75870 0.51530 0.01230 O4 0.20948 0.78462 0.95930 0.01100 O40 0.02187 0.86354 0.71790 0.01260 O400 0.95582 0.80064 0.75300 0.01280 O5 0.93731 0.82794 0.43390 0.01340 O50 0.07621 0.83890 0.41320 0.01200 O500 0.18021 0.75698 0.64160 0.01310 O6 0.78150 0.81608 0.07600 0.03540 O60 0.20078 0.84820 0.18350 0.03100 O600 0.05341 0.76845 0.37710 0.02110 O7 0.81792 0.85685 0.36480 0.02610 H61 0.77300 0.80440 0.00900 0.04000 H62 0.82300 0.81990 0.03800 0.18000 H601 0.16000 0.84350 0.23400 0.14000 H602 0.21700 0.85680 0.26900 0.06000 H6001 0.04600 0.78210 0.31600 0.05000 H6002 0.09500 0.76970 0.43000 0.05000 H71 0.86200 0.85400 0.31500 0.14000 H72 0.80500 0.87130 0.33000 0.16000