data_global _chemical_name_mineral 'Taramellite' loop_ _publ_author_name 'Mazzi F' 'Rossi G' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 121 _journal_year 1965 _journal_page_first 243 _journal_page_last 257 _publ_section_title ; The crystal structure of taramellite Ba2(Fe,Ti,Mg)2H2(O2(Si4O12)) ; _database_code_amcsd 0010620 _chemical_compound_source 'Fresno County, California, USA' _chemical_formula_sum 'Ba (Fe.5 Ti.5) Si2 O7' _cell_length_a 13.95 _cell_length_b 12.21 _cell_length_c 7.15 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1217.856 _exptl_crystal_density_diffrn 3.898 _symmetry_space_group_name_H-M 'P m m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,y,z' '1/2+x,-y,-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 Ba1 0.25000 0.75000 0.24000 1.00000 0.00773 Ba2 0.25000 0.25000 0.46200 1.00000 0.00773 Ba3 0.47300 0.25000 0.00900 1.00000 0.00773 Fe 0.49800 0.12800 0.52500 0.50000 0.00798 Ti 0.49800 0.12800 0.52500 0.50000 0.00798 Si1 0.36600 0.01000 0.21200 1.00000 0.00127 Si2 0.64300 0.02700 0.21100 1.00000 0.00127 O1 0.25000 -0.01300 0.21100 1.00000 0.00621 O2 0.75000 0.97900 0.27500 1.00000 0.00621 O3 0.57900 0.25000 0.40800 1.00000 0.00621 O4 0.57800 0.75000 0.35700 1.00000 0.00621 O5 0.61000 0.96300 0.01400 1.00000 0.00621 O6 0.39700 0.12000 0.33200 1.00000 0.00621 O7 0.40800 0.89400 0.26600 1.00000 0.00621 O8 0.65100 0.15500 0.13200 1.00000 0.00621 O9 0.57200 0.00300 0.38500 1.00000 0.00621