data_global _chemical_name_mineral 'Baliczunicite' loop_ _publ_author_name 'Pinto D' 'Garavelli A' 'Balic-Zunic T' _journal_name_full 'Mineralogical Magazine' _journal_volume 79 _journal_year 2015 _journal_page_first 597 _journal_page_last 611 _publ_section_title ; The crystal structure of baliczunicite, Bi2O(SO4)2, a new natural bismuth oxide sulfate ; _database_code_amcsd 0020387 _chemical_compound_source 'La Fossa crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Bi2 S2 O9' _cell_length_a 6.7386 _cell_length_b 11.1844 _cell_length_c 14.1754 _cell_angle_alpha 80.082 _cell_angle_beta 88.462 _cell_angle_gamma 89.517 _cell_volume 1052.007 _exptl_crystal_density_diffrn 5.929 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi1 0.32303 0.26686 0.08679 0.01183 Bi2 0.82886 0.53970 0.15591 0.01036 Bi3 0.76466 0.86186 0.13679 0.01320 Bi4 0.74596 0.62711 0.38112 0.01086 Bi5 0.32337 0.70789 0.62464 0.00988 Bi6 0.16084 0.00838 0.36111 0.01279 S1 0.81630 0.18750 0.18090 0.00950 S2 0.31460 0.57080 0.08090 0.00790 S3 0.26040 0.94600 0.11590 0.01040 S4 0.25360 0.66550 0.39960 0.01040 S5 0.19850 0.31360 0.33230 0.01040 S6 0.66340 0.92220 0.41370 0.00940 O1 0.80100 0.69000 0.23330 0.01400 O2 0.74270 0.47150 0.31430 0.00600 O3 0.76200 0.72190 0.05400 0.01000 O4 0.20100 0.98300 0.20430 0.05900 O5 0.15800 0.62510 0.13370 0.01400 O6 0.22100 0.46370 0.04430 0.01500 O7 0.47800 0.52670 0.14630 0.01200 O8 0.61700 0.34390 0.00450 0.01300 O9 0.70100 0.29480 0.20600 0.01100 O10 0.10600 0.87100 0.72620 0.02400 O11 0.67800 0.11270 0.14080 0.02000 O12 0.97700 0.23800 0.10930 0.02100 O13 0.12700 0.37880 0.24260 0.02000 O14 0.03800 0.28730 0.40320 0.01600 O15 0.63700 0.62020 0.63210 0.01300 O16 0.29000 0.19570 0.31170 0.01500 O17 0.09500 0.59630 0.37060 0.02700 O18 0.41900 0.67390 0.32910 0.01500 O19 0.32500 0.60190 0.49670 0.01900 O20 0.18500 0.78780 0.41110 0.02100 O21 0.78400 0.87240 0.34060 0.01500 O22 0.19900 0.00260 0.53850 0.01900 O23 0.50700 0.00440 0.36770 0.01100 O24 0.58300 0.82180 0.48460 0.01700 O25 0.09600 0.89200 0.07660 0.04600 O26 0.31600 0.05790 0.04780 0.01800 O27 0.42000 0.86020 0.13140 0.03300 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 Bi1 0.01240 0.01170 0.01100 0.00060 -0.00290 -0.00060 Bi2 0.00980 0.00930 0.01240 0.00150 -0.00010 -0.00340 Bi3 0.01560 0.00720 0.01720 0.00170 -0.00340 -0.00280 Bi4 0.01150 0.01090 0.01070 0.00230 -0.00090 -0.00340 Bi5 0.01000 0.00780 0.01180 0.00140 -0.00050 -0.00140 Bi6 0.01460 0.01100 0.01280 0.00320 -0.00040 -0.00230 S1 0.00600 0.01100 0.01100 0.00200 -0.00190 -0.00010 S2 0.00400 0.00500 0.01400 0.00220 -0.00090 -0.00020 S3 0.00900 0.01000 0.01200 0.00060 0.00130 -0.00050 S4 0.00600 0.01200 0.01400 0.00200 -0.00490 -0.00230 S5 0.00800 0.01100 0.01300 -0.00090 -0.00080 0.00020 S6 0.00800 0.01100 0.00900 0.00090 -0.00040 -0.00280