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 = 296 deg C, crystal 2 ; _database_code_amcsd 0002205 _chemical_formula_sum 'Cs.89 Fe3.92 Si3.04 Al.04 O12' _cell_length_a 5.480 _cell_length_b 9.500 _cell_length_c 10.907 _cell_angle_alpha 90 _cell_angle_beta 99.60 _cell_angle_gamma 90 _cell_volume 559.867 _exptl_crystal_density_diffrn 3.652 _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 0.04100 Fe1 0.00000 0.00000 0.50000 1.00000 0.01950 Fe2 0.00000 0.33190 0.50000 1.00000 0.02020 Si 0.07930 0.16620 0.23930 0.76000 0.01840 Fe 0.07930 0.16620 0.23930 0.23000 0.01840 Al 0.07930 0.16620 0.23930 0.01000 0.01840 O1 0.06150 0.00000 0.18490 1.00000 0.04200 O2 0.31460 0.25030 0.18640 1.00000 0.04100 O3 0.13250 0.16670 0.39650 1.00000 0.02100 O4 0.13250 0.50000 0.40080 1.00000 0.02500