data_global _chemical_name_mineral 'Schairerite' loop_ _publ_author_name 'Fanfani L' 'Nunzi A' 'Zanazzi P F' 'Zanzari A R' 'Sabelli C' _journal_name_full 'Mineralogical Magazine' _journal_volume 40 _journal_year 1975 _journal_page_first 131 _journal_page_last 139 _publ_section_title ; The crystal structure of schairerite and its relationship to sulphohalite ; _database_code_amcsd 0014463 _chemical_compound_source 'Searles Lake, California, USA' _chemical_formula_sum 'Na21 S7 O28 F6 Cl' _cell_length_a 12.197 _cell_length_b 12.197 _cell_length_c 19.259 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2481.249 _exptl_crystal_density_diffrn 2.619 _symmetry_space_group_name_H-M 'P 3 1 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,z' '-y,x-y,z' 'y,x,z' '-x+y,-x,z' '-x,-x+y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.51520 0.00000 0.51660 0.01887 Na1* 0.15910 0.33400 0.51470 0.01583 Na2 0.81280 0.00000 0.37890 0.01330 Na2* 0.47880 0.33180 0.38460 0.01659 Na3 0.18920 0.00000 0.92940 0.01558 Na3* 0.84700 0.33590 0.93390 0.01545 Na4 0.17590 0.00000 0.64680 0.01520 Na4* 0.84480 0.33370 0.65270 0.01583 Na5 0.82360 0.00000 0.09570 0.02330 Na5* 0.47830 0.33120 0.10340 0.02242 Na6 0.48790 0.00000 0.79280 0.01545 Na6* 0.15150 0.33450 0.79410 0.01241 Na7 0.51800 0.00000 0.23570 0.01900 Na7* 0.18110 0.33340 0.23910 0.02001 S1 0.00000 0.00000 0.23760 0.01330 S1* 0.66667 0.33333 0.25320 0.01267 S2 0.00000 0.00000 0.77820 0.01203 S2* 0.66667 0.33333 0.79500 0.00950 S3 0.00000 0.00000 0.50740 0.01140 S3* 0.66667 0.33333 0.52660 0.00912 S4 0.66990 0.00000 0.66590 0.01026 S5 0.66720 0.00000 0.93870 0.01140 S6 0.33660 0.00000 0.36730 0.01051 S7 0.33440 0.00000 0.09330 0.00785 O1A 0.00000 0.00000 0.16310 0.03863 O1B 0.88840 0.00000 0.26360 0.01482 O1A* 0.66667 0.33333 0.33010 0.02394 O1B* 0.66830 0.22010 0.23180 0.02508 O2A 0.00000 0.00000 0.70260 0.02267 O2B 0.11400 0.00000 0.80640 0.01545 O2A* 0.66667 0.33333 0.87170 0.00950 O2B* 0.55020 0.21580 0.77010 0.02419 O3A 0.00000 0.00000 0.43170 0.01456 O3B 0.11300 0.00000 0.53200 0.01431 O3A* 0.66667 0.33333 0.60430 0.01469 O3B* 0.67200 0.22090 0.50210 0.02229 O4A 0.67710 0.00000 0.74160 0.01431 O4B 0.55170 0.00000 0.64600 0.01431 O4C 0.78340 0.11670 0.64030 0.01722 O5A 0.66780 0.00000 0.01460 0.01241 O5B 0.55270 0.00000 0.91420 0.01596 O5C 0.78080 0.11540 0.91330 0.01444 O6A 0.33840 0.00000 0.28970 0.01672 O6B 0.44750 0.00000 0.39710 0.01925 O6C 0.33560 0.11250 0.39340 0.01912 O7A 0.33580 0.00000 0.01670 0.02102 O7B 0.44610 0.00000 0.12030 0.02343 O7C 0.33420 0.11230 0.12040 0.02318 F1 0.68580 0.00000 0.46580 0.01735 F2 0.33960 0.00000 0.86360 0.01089 F3 0.34860 0.00000 0.56740 0.01241 F4 0.66200 0.00000 0.31310 0.01836 F5 0.67530 0.00000 0.16660 0.01444 F6 0.32620 0.00000 0.71750 0.00937 Cl 0.00000 0.00000 0.00000 0.00925 Cl* 0.66667 0.33333 0.02960 0.02368