data_global _chemical_name_mineral 'Nabokoite' loop_ _publ_author_name 'Pertlik F' 'Zemann J' _journal_name_full 'Mineralogy and Petrology' _journal_volume 38 _journal_year 1988 _journal_page_first 291 _journal_page_last 298 _publ_section_title ; The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry ; _database_code_amcsd 0014618 _chemical_compound_source 'Mount Tolbachik, Kamchatka, USSR' _chemical_formula_sum 'Cu7 Te S5 O24 K Cl' _cell_length_a 9.833 _cell_length_b 9.833 _cell_length_c 20.5910 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1990.900 _exptl_crystal_density_diffrn 3.974 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.48570 0.27380 0.89520 Cu2 0.25000 0.25000 0.69850 Cu3 0.00000 0.00000 0.00000 Te1 0.25000 0.25000 0.99600 S1 0.56810 0.99370 0.85250 S2 0.75000 0.25000 0.00000 O1 0.42550 0.95440 0.83810 O2 0.66240 0.92970 0.80890 O3 0.58440 0.14210 0.84370 O4 0.60240 0.95600 0.92020 O5 0.65450 0.32940 0.96010 O6 0.36550 0.39120 0.94990 K 0.75000 0.25000 0.75000 Cl 0.25000 0.25000 0.82250 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 0.01370 0.00840 0.01500 0.00070 0.00310 -0.00300 Cu2 0.00770 0.00770 0.03590 0.00000 0.00000 0.00000 Cu3 0.01480 0.01280 0.00940 -0.00580 0.00260 -0.00090 Te1 0.01650 0.01650 0.03730 0.00000 0.00000 0.00000 S1 0.01150 0.01010 0.01330 0.00120 0.00160 -0.00060 S2 0.01320 0.01320 0.00050 0.00000 0.00000 0.00000 O1 0.00920 0.01700 0.02280 -0.00420 -0.00120 -0.00870 O2 0.01560 0.01150 0.01740 0.00090 0.00380 -0.00230 O3 0.01740 0.01280 0.01030 0.00050 0.00860 0.00280 O4 0.01150 0.02240 0.01300 0.00190 -0.00180 -0.00120 O5 0.01830 0.01700 0.01340 0.00100 -0.00900 0.00760 O6 0.00950 0.00830 0.01110 -0.00290 -0.00070 -0.00050 K 0.09230 0.09230 0.01270 -0.08020 0.00000 0.00000 Cl 0.02330 0.02330 0.00840 0.00000 0.00000 0.00000