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 = 0.0001 GPa in air ; _database_code_amcsd 0003529 _chemical_formula_sum 'Ba.94 (Si3.04 Al1.96) O13.54 H7.08' _cell_length_a 9.5909 _cell_length_b 9.5909 _cell_length_c 6.5339 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 601.023 _exptl_crystal_density_diffrn 2.714 _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 0.64292 0.79000 0.01583 Ba2 0.50000 0.00000 0.59380 0.15000 0.01380 SiT1 0.00000 0.00000 0.00000 0.60000 0.00933 AlT1 0.00000 0.00000 0.00000 0.40000 0.00933 SiT2 -0.17347 0.09318 0.38107 0.61000 0.00934 AlT2 -0.17347 0.09318 0.38107 0.39000 0.00934 O1 0.17297 0.32703 0.62436 1.00000 0.01337 O23 -0.04481 0.19643 0.46501 1.00000 0.01664 O45 -0.13667 0.03769 0.14424 1.00000 0.01659 Wat1 0.17659 0.32341 0.14610 0.79000 0.03100 Wat2 0.37786 0.12214 -0.02510 0.98000 0.05810