data_global _chemical_name_mineral 'Euchlorine' loop_ _publ_author_name 'Scordari F' 'Stasi F' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_volume 161 _journal_year 1990 _journal_page_first 241 _journal_page_last 253 _publ_section_title ; The crystal structure of euchlorine, NaKCu3O(SO4)3 ; _database_code_amcsd 0014715 _chemical_compound_source 'Vesuvius, Italy' _chemical_formula_sum 'K Na Cu3 S3 O13' _cell_length_a 18.410 _cell_length_b 9.43 _cell_length_c 14.21 _cell_angle_alpha 90 _cell_angle_beta 113.7 _cell_angle_gamma 90 _cell_volume 2258.890 _exptl_crystal_density_diffrn 3.275 _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 K 0.69320 0.23820 0.62870 0.03200 Na 0.67500 0.76390 0.54670 0.02200 Cu1 0.58310 0.25510 0.29470 0.01200 Cu2 0.48310 0.98170 0.34400 0.01100 Cu3 0.51630 0.52580 0.36120 0.01200 S1 0.65570 0.96930 0.36920 0.01300 S2 0.65420 0.54280 0.29260 0.01100 S3 0.50180 0.75200 0.51570 0.01100 O1 0.50000 0.11380 0.25000 0.01100 O2 0.50000 0.39780 0.25000 0.00900 O3 0.59830 0.94100 0.41530 0.01900 O4 0.72890 0.90010 0.43000 0.02100 O5 0.62250 0.92160 0.26220 0.01300 O6 0.66910 0.12060 0.36850 0.02100 O7 0.66660 0.38880 0.31060 0.02200 O8 0.72940 0.61300 0.31170 0.02400 O9 0.61930 0.60060 0.35930 0.01700 O10 0.59890 0.56760 0.18630 0.01600 O11 0.45760 0.85400 0.43400 0.00300 O12 0.44400 0.67710 0.54560 0.01600 O13 0.56130 0.82520 0.60580 0.01200 O14 0.54690 0.64740 0.47900 0.01400 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 K 0.00900 0.04900 0.03400 0.00400 0.00400 -0.00900 Na 0.01600 0.02100 0.03100 0.00800 0.01000 0.00900 Cu1 0.00900 0.00900 0.01700 0.00100 0.00500 0.00100 Cu2 0.01400 0.01200 0.01000 0.00100 0.00700 0.00500 Cu3 0.01100 0.01400 0.01100 -0.00100 0.00400 -0.00600 S1 0.00800 0.01500 0.01400 0.00400 0.00800 0.00500 S2 0.01100 0.01300 0.01000 0.00200 0.00300 0.00200 S3 0.01300 0.00900 0.01000 0.00300 0.00300 0.00100