#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009453.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9009453 _chemical_name 'Galeite' loop_ _publ_author_name 'Fanfani L' 'Nunzi A' 'Zanazzi P F' 'Zanzari A R' _journal_name_full "Mineralogical Magazine" _journal_volume 40 _journal_year 1975 _journal_page_first 357 _journal_page_last 361 _publ_section_title ; The crystal structure of galeite, Na15(SO4)5F4Cl Locality: Searles Lake, California, USA ; _chemical_formula_sum 'Na15 S5 O20 F4 Cl' _cell_length_a 12.197 _cell_length_b 12.197 _cell_length_c 13.955 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1797.904 _symmetry_space_group_name_H-M 'P 3 1 m' loop_ _symmetry_equiv_pos_as_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_Uiso_or_equiv Na1 0.51180 0.00000 0.71670 0.01545 Na1* 0.15880 0.33420 0.71410 0.01545 Na2 0.81610 0.00000 0.52530 0.01634 Na2* 0.48520 0.33260 0.53100 0.01634 Na3 0.19140 0.00000 0.89540 0.01507 Na3* 0.84650 0.33570 0.90720 0.01507 Na4 0.82510 0.00000 0.13240 0.01456 Na4* 0.47820 0.33000 0.14140 0.01456 Na5 0.52100 0.00000 0.32740 0.01494 Na5* 0.17990 0.33220 0.33120 0.01494 S1 0.00000 0.00000 0.32430 0.00798 S1* 0.66667 0.33333 0.34400 0.00798 S2 0.00000 0.00000 0.69570 0.00697 S2* 0.66667 0.33333 0.72000 0.00697 S3 0.67000 0.00000 0.92160 0.00583 S4 0.33650 0.00000 0.50920 0.00646 S5 0.33390 0.00000 0.13110 0.00811 O1A 0.00000 0.00000 0.22430 0.02153 O1B 0.88480 0.00000 0.36510 0.01798 O1A* 0.66667 0.33333 0.44410 0.02153 O1B* 0.67040 0.22090 0.30980 0.01798 O2A 0.00000 0.00000 0.58870 0.00887 O2B 0.11420 0.00000 0.73450 0.01862 O2A* 0.66667 0.33333 0.82700 0.00887 O2B* 0.66770 0.22020 0.68720 0.01862 O3A 0.66930 0.00000 0.02310 0.00418 O3B 0.55360 0.00000 0.88530 0.00785 O3C 0.78140 0.11460 0.87860 0.01355 O4A 0.34760 0.00000 0.39670 0.02115 O4B 0.45060 0.00000 0.54840 0.01659 O4C 0.88430 0.21790 0.54120 0.02254 O5A 0.33930 0.00000 0.02250 0.03850 O5B 0.44870 0.00000 0.15610 0.01558 O5C 0.33410 0.11410 0.15990 0.02077 F1 0.67950 0.00000 0.63940 0.01064 F2 0.67540 0.00000 0.23890 0.00887 F3 0.65920 0.00000 0.43160 0.02014 F4 0.34940 0.00000 0.79620 0.03002 Cl 0.00000 0.00000 0.00000 0.01406 Cl* 0.66667 0.33333 0.04470 0.01406