data_global _chemical_name_mineral 'Rosenbergite' loop_ _publ_author_name 'Olmi F' 'Sabelli C' 'Trosti-Ferroni R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 5 _journal_year 1993 _journal_page_first 1167 _journal_page_last 1174 _publ_section_title ; Rosenbergite, AlF[F0.5(H2O)0.5}4.H2O, a new mineral from the Cetine mine (Tuscany, Italy): description and crystal structure ; _database_code_amcsd 0006508 _chemical_compound_source 'Cetine mine, Tuscany, Italy' _chemical_formula_sum 'Al F3 O3 H6' _cell_length_a 7.715 _cell_length_b 7.715 _cell_length_c 3.648 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 217.133 _exptl_crystal_density_diffrn 2.111 _symmetry_space_group_name_H-M 'P 4/n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+y,-x,-z' '1/2-y,x,z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '-y,1/2+x,-z' 'y,1/2-x,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 Al 0.25000 0.25000 0.13960 1.00000 0.01115 F 0.25000 0.25000 0.63840 1.00000 0.02508 O1 0.75000 0.25000 0.50000 1.00000 0.01786 O2 0.46520 0.34840 0.13660 0.50000 0.02419 F2 0.46520 0.34840 0.13660 0.50000 0.02419 H1 0.65500 0.28300 0.37900 0.50000 0.03800 H2 0.48800 0.44900 0.04600 0.50000 0.03800 H3 0.56000 0.31500 0.25800 0.50000 0.03800 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 Al 0.01218 0.01218 0.00901 0.00000 0.00000 0.00000 F 0.03314 0.03314 0.00895 0.00000 0.00000 0.00000 O1 0.01619 0.01619 0.02120 0.00000 0.00000 0.00000 O2 0.01668 0.02340 0.03258 -0.00437 -0.00445 0.00987 F2 0.01668 0.02340 0.03258 -0.00437 -0.00445 0.00987