data_global _chemical_name_mineral 'Poyarkovite' loop_ _publ_author_name 'Vasil'ev V I' 'Pervukhina N V' 'Romanenko G V' 'Magarill S A' 'Borisov S V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 119 _journal_page_last 126 _publ_section_title ; New data on the mercury oxide-chloride mineral poyarkovite: The second find, and crystal-structure determination ; _database_code_amcsd 0005596 _chemical_formula_sum 'Hg3 Cl O' _cell_length_a 19.009 _cell_length_b 9.018 _cell_length_c 16.848 _cell_angle_alpha 90 _cell_angle_beta 110.82 _cell_angle_gamma 90 _cell_volume 2699.547 _exptl_crystal_density_diffrn 9.643 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Hg1 0.66370 0.13010 0.86570 0.01600 Hg2 0.66350 -0.14760 0.84390 0.02200 Hg3 0.83490 0.11990 0.97220 0.01400 Hg4 0.82750 0.12540 0.81980 0.01700 Hg5 0.90380 0.46200 0.96400 0.01900 Hg6 0.76670 0.51620 0.89130 0.03300 Hg7 0.01520 0.13810 0.01160 0.02500 Hg8 0.93200 0.01440 0.20210 0.03200 Hg9 0.01110 0.37400 0.17920 0.01500 Cl1 0.85010 0.81270 0.01850 0.03600 Cl2 0.96930 0.30660 0.84720 0.01300 Cl3 0.66730 0.28630 0.71330 0.02300 O1 0.00980 0.36250 0.05500 0.01300 O2 0.66640 0.33330 0.90640 0.03000 O3 0.66770 0.60600 0.81050 0.01800 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Hg1 0.01500 0.00800 0.02100 0.00100 0.00300 -0.00100 Hg2 0.03300 0.01000 0.02200 -0.00100 0.01000 -0.00100 Hg3 0.01600 0.02100 0.00700 -0.00500 0.00700 0.00200 Hg4 0.02400 0.02200 0.00800 0.00000 0.00900 -0.00200 Hg5 0.00800 0.02100 0.02400 -0.00700 0.00100 -0.00500 Hg6 0.01300 0.05100 0.02500 0.02200 -0.00500 -0.01100 Hg7 0.02200 0.00900 0.04100 0.00100 0.00800 -0.00200 Hg8 0.00500 0.05700 0.03200 -0.00800 0.00400 -0.01400 Hg9 0.01500 0.02400 0.00800 -0.00400 0.00500 -0.00200 Cl1 0.04000 0.03900 0.03600 -0.00100 0.02400 0.00200 Cl2 0.02100 0.00500 0.01100 -0.00800 0.00600 -0.00400 Cl3 0.03500 0.00600 0.02900 -0.00800 0.01200 0.00100 O1 0.00900 0.02100 0.00700 -0.00500 0.00100 -0.00400 O2 0.03300 0.03300 0.01900 -0.00400 0.00300 -0.00400 O3 0.01300 0.01500 0.02700 -0.00900 0.01000 -0.00500