data_global _chemical_name_mineral 'Edingtonite' loop_ _publ_author_name 'Gatta G D' 'Ballaran T B' 'Comodi P' 'Zanazzi P F' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 633 _journal_page_last 639 _publ_section_title ; Isothermal equation of state and compressional behavior of tetragonal edingtonite Sample at P = 4.611 GPa ; _database_code_amcsd 0003532 _chemical_formula_sum 'Ba.89 (Si3.04 Al1.96) O13.32 H6.64' _cell_length_a 9.3466 _cell_length_b 9.3466 _cell_length_c 6.42705 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 561.460 _exptl_crystal_density_diffrn 2.841 _symmetry_space_group_name_H-M 'P -4 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,-x,-z' '1/2-x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,x,-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 Ba1 0.50000 0.00000 0.64515 0.89000 0.01287 SiT1 0.00000 0.00000 0.00000 0.60000 0.01700 AlT1 0.00000 0.00000 0.00000 0.40000 0.01700 SiT2 -0.17921 0.08614 0.38026 0.61000 0.01390 AlT2 -0.17921 0.08614 0.38026 0.39000 0.01390 O1 0.15880 0.34110 0.63030 1.00000 0.01530 O23 -0.05080 0.19090 0.45440 1.00000 0.02360 O45 -0.14800 0.02300 0.14380 1.00000 0.02030 Wat1 0.18510 0.31480 0.16130 0.74000 0.01060 Wat2 0.37570 0.12430 -0.01700 0.92000 0.04460