data_global _chemical_name_mineral 'Tetra-ferri-annite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' 'Weiss Z' 'Rieder M' 'Drabek M' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 325 _journal_page_last 332 _publ_section_title ; "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a potential nuclear waste disposal phase T = 23 deg C after heating, crystal 2 ; _database_code_amcsd 0002207 _chemical_formula_sum 'Cs.89 Fe3.92 Si3.04 Al.04 O12' _cell_length_a 5.452 _cell_length_b 9.448 _cell_length_c 10.786 _cell_angle_alpha 90 _cell_angle_beta 99.77 _cell_angle_gamma 90 _cell_volume 547.534 _exptl_crystal_density_diffrn 3.734 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Cs 0.00000 0.50000 0.00000 0.89000 0.02430 Fe1 0.00000 0.00000 0.50000 1.00000 0.01480 Fe2 0.00000 0.33930 0.50000 1.00000 0.01510 Si 0.07970 0.16770 0.23670 0.76000 0.01420 Fe 0.07970 0.16770 0.23670 0.23000 0.01420 Al 0.07970 0.16770 0.23670 0.01000 0.01420 O1 0.05880 0.00000 0.18430 1.00000 0.03200 O2 0.31300 0.24830 0.18120 1.00000 0.03240 O3 0.13370 0.17190 0.39610 1.00000 0.01610 O4 0.13730 0.50000 0.40590 1.00000 0.01660