data_global _chemical_name_mineral 'Demicheleite-(Br)' loop_ _publ_author_name 'Demartin F' 'Gramaccioli C M' 'Campostrini I' 'Orlandi P' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1603 _journal_page_last 1607 _publ_section_title ; Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy ; _database_code_amcsd 0004679 _chemical_compound_source 'La Fossa crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Bi.99 S.97 Br.67 Cl.35 I.02' _cell_length_a 8.0424 _cell_length_b 9.8511 _cell_length_c 4.0328 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 319.505 _exptl_crystal_density_diffrn 6.371 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Bi 0.13741 0.13177 0.25000 0.99000 0.01890 S 0.83030 0.05160 0.25000 0.97000 0.01570 Br 0.51330 0.82220 0.25000 0.67000 0.02240 Cl 0.51330 0.82220 0.25000 0.35000 0.02240 I 0.51330 0.82220 0.25000 0.02000 0.02240 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 Bi 0.01910 0.01880 0.01890 -0.00300 0.00000 0.00000 S 0.01390 0.01700 0.01630 0.00150 0.00000 0.00000 Br 0.02190 0.02410 0.02110 -0.00260 0.00000 0.00000 Cl 0.02190 0.02410 0.02110 -0.00260 0.00000 0.00000 I 0.02190 0.02410 0.02110 -0.00260 0.00000 0.00000