data_global _chemical_name_mineral 'Edingtonite' loop_ _publ_author_name 'Stahl K' 'Hanson J C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 10 _journal_year 1998 _journal_page_first 221 _journal_page_last 228 _publ_section_title ; An in situ study of the edingtonite dehydration process from X-ray synchrotron powder diffraction Sample: 643 K ; _database_code_amcsd 0006717 _chemical_formula_sum '(Ba.9 Ca.1) Al2 Si3 O10.68 H1.36' _cell_length_a 9.3758 _cell_length_b 9.4097 _cell_length_c 6.5377 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 576.779 _exptl_crystal_density_diffrn 2.522 _symmetry_space_group_name_H-M 'P 21 21 2' loop_ _space_group_symop_operation_xyz '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 Ba 0.50000 0.00000 0.62860 0.90000 0.03800 Ca 0.50000 0.00000 0.62860 0.10000 0.03800 Al 0.08740 0.17630 0.63260 1.00000 0.02786 Si1 0.00000 0.00000 0.01440 1.00000 0.02786 Si2 -0.17360 0.08790 0.39070 1.00000 0.02786 O1 0.17020 0.33830 0.61940 1.00000 0.02533 O2 -0.06040 0.20230 0.47390 1.00000 0.02533 O3 0.19050 0.04130 0.54880 1.00000 0.02533 O4 0.03060 0.13950 0.88060 1.00000 0.02533 O5 -0.13690 0.02910 0.16560 1.00000 0.02533 Wat1 0.13360 0.33380 0.12810 0.03000 0.07092 Wat2 0.44190 0.09870 -0.00930 0.31000 0.07092