data_global _chemical_name_mineral 'Chloromenite' loop_ _publ_author_name 'Krivovichev S V' 'Filatov S K' 'Semenova T F' 'Rozhdestvenskaya I V' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 213 _journal_year 1998 _journal_page_first 645 _journal_page_last 649 _publ_section_title ; Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra I. Crystal structure of chloromenite, Cu9O2(SeO3)4Cl6 ; _database_code_amcsd 0011081 _chemical_compound_source 'Tolbachik volcano, Kamchatka, Russia' _chemical_formula_sum 'Cu9 Se4 O14 Cl6' _cell_length_a 14.170 _cell_length_b 6.262 _cell_length_c 12.999 _cell_angle_alpha 90 _cell_angle_beta 113.05 _cell_angle_gamma 90 _cell_volume 1061.348 _exptl_crystal_density_diffrn 4.144 _symmetry_space_group_name_H-M 'I 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Cu1 0.50000 0.00000 0.00000 0.01920 Cu2 0.37920 0.00000 0.16330 0.01520 Cu3 0.28350 0.00000 0.55260 0.02140 Cu4 0.11860 0.00000 0.02590 0.02570 Cu5 0.25000 -0.25000 0.25000 0.01490 Se1 0.25160 0.00000 0.88863 0.01620 Se2 0.03842 0.00000 0.23727 0.01240 O1 0.23810 0.00000 0.16010 0.01300 O2 0.37610 -0.29670 0.21700 0.02100 O3 0.31150 -0.30700 0.57130 0.02600 O4 0.36640 0.00000 0.00140 0.02500 O5 0.01500 0.00000 0.09800 0.02200 Cl1 0.36880 0.00000 0.43630 0.02440 Cl2 0.44600 0.00000 0.80680 0.02660 Cl3 0.14840 0.00000 0.59680 0.04310 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 Cu1 0.01670 0.02610 0.01520 0.00000 0.00660 0.00000 Cu2 0.01410 0.01140 0.02060 0.00000 0.00730 0.00000 Cu3 0.02500 0.01400 0.02580 0.00000 0.01080 0.00000 Cu4 0.01320 0.04920 0.01220 0.00000 0.00240 0.00000 Cu5 0.01630 0.01020 0.01920 0.00180 0.00800 0.00390 Se1 0.01560 0.01940 0.01290 0.00000 0.00480 0.00000 Se2 0.01260 0.01030 0.01360 0.00000 0.00430 0.00000 O1 0.01400 0.00600 0.01500 0.00000 0.00000 0.00000 O2 0.02400 0.01600 0.03100 0.00500 0.01600 0.01500 O3 0.02100 0.01400 0.04400 0.00000 0.01400 0.00600 O4 0.01500 0.04600 0.01500 0.00000 0.00600 0.00000 O5 0.01100 0.03500 0.01600 0.00000 0.00100 0.00000 Cl1 0.02530 0.02530 0.02200 0.00000 0.00750 0.00000 Cl2 0.01820 0.04100 0.01800 0.00000 0.00440 0.00000 Cl3 0.04300 0.04200 0.05600 0.00000 0.03200 0.00000