data_global _chemical_name_mineral 'Kelyanite' loop_ _publ_author_name 'Pervukhina N V' 'Borisov S V' 'Magarill S A' 'Naumov D Y' 'Vasilev V I' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1666 _journal_page_last 1669 _publ_section_title ; The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2 ; _database_code_amcsd 0004681 _chemical_compound_source 'Kelyana deposit, Buryatia, Russia' _chemical_formula_sum 'Hg12 Sb O6 Br Cl2' _cell_length_a 13.560 _cell_length_b 13.560 _cell_length_c 10.004 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1593.029 _exptl_crystal_density_diffrn 8.680 _symmetry_space_group_name_H-M 'P 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,z' '-x+y,-x,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Hg1 0.20820 -0.14820 0.27040 0.02300 Hg2 0.15020 -0.02390 0.39500 0.02400 Hg3 0.45910 -0.02280 0.39260 0.02200 Hg4 0.51560 0.15870 0.26740 0.02500 Hg5 0.34900 0.21600 0.06250 0.04000 Hg6 0.19120 0.07310 -0.07890 0.03300 Hg7 0.37520 0.52620 0.06510 0.03700 Hg8 0.50870 0.48660 -0.06290 0.03200 Hg9 0.31710 0.20070 0.60040 0.04000 Hg10 0.47610 0.21530 0.74180 0.03500 Hg11 0.29220 0.48390 0.59770 0.03900 Hg12 0.15860 0.31200 0.72680 0.03600 Sb1 0.00000 0.00000 0.66290 0.03400 Sb2 0.66667 0.33333 0.00150 0.03300 Sb3 0.33333 0.66667 0.33250 0.03400 O1 0.28400 -0.24100 0.20300 0.03600 O2 0.13000 0.07600 0.53900 0.04100 O3 0.39100 -0.18800 0.46000 0.04300 O4 0.53400 0.26900 0.12600 0.05000 O5 0.09000 -0.04700 -0.22300 0.03600 O6 0.62800 0.42200 -0.12000 0.04700 Br1 0.66667 0.33333 0.46780 0.05700 Br2 0.00000 0.00000 0.15940 0.05800 Br3 0.33333 0.66667 0.81650 0.05100 Cl1 0.33500 0.22570 0.32990 0.05700 Cl2 0.47200 -0.00580 0.67380 0.05700