data_global _chemical_name_mineral 'Rancieite' loop_ _publ_author_name 'Ertl A' 'Pertlik F' 'Prem M' 'Post J E' 'Kim S J' 'Brandstatter F' 'Schuster R' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 163 _journal_page_last 172 _publ_section_title ; Rancieite crystals from Friesach, Carinthia, Austria Note: Birnessite group ; _database_code_amcsd 0007090 _chemical_compound_source 'Friesach, Carinthia, Austria' _chemical_formula_sum 'Ca1.59 Mn.167 O2.187' _cell_length_a 2.845 _cell_length_b 2.845 _cell_length_c 7.485 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 52.467 _exptl_crystal_density_diffrn 3.414 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-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 Ca 0.50000 0.00000 0.50000 0.53000 0.01773 Mn4+ 0.00000 0.00000 0.00000 0.16667 0.01773 O1 0.33333 0.66667 0.14000 0.33333 0.01773 O2 0.00000 0.00000 0.50000 0.32000 0.01773 O3 0.66667 0.33333 0.38000 0.60000 0.01773