data_global _chemical_name_mineral 'Aksaite' loop_ _publ_author_name 'Dal Negro A' 'Ungaretti L' 'Sabelli C' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 1553 _journal_page_last 1566 _publ_section_title ; The crystal structure of aksaite ; _database_code_amcsd 260 _chemical_formula_sum 'Mg B6 O15 H9' _cell_length_a 12.54 _cell_length_b 24.327 _cell_length_c 7.48 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 2281.853 _exptl_crystal_density_diffrn 1.969 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mg 0.4316 0.1279 0.0542 0.00849 B1 0.6592 0.3673 0.3902 0.01039 B2 0.5015 0.3358 0.1876 0.01089 B3 0.5303 0.4387 0.2506 0.01001 B4 0.6577 0.2761 0.245 0.01077 B5 0.4553 0.4053 -0.0318 0.01051 B6 0.713 0.4635 0.3434 0.01039 O1 0.7141 0.3181 0.333 0.01178 O-H2 0.5967 0.3586 0.5529 0.01368 O3 0.5767 0.3814 0.2491 0.00811 O4 0.7338 0.4125 0.402 0.01203 O5 0.5593 0.2842 0.1821 0.01203 O-H6 0.4143 0.3331 0.3133 0.01267 O7 0.4669 0.3509 0.0081 0.01317 O8 0.4743 0.4465 0.0835 0.01165 O-H9 0.4606 0.4438 0.4074 0.01355 O10 0.6178 0.4777 0.2659 0.01355 O-H11 0.6977 0.2244 0.2442 0.02254 O-H12 0.4273 0.4178 -0.2081 0.01292 O-H13 0.7878 0.5048 0.3526 0.02102 O-H14 0.2659 0.1127 0.0541 0.02432 Wat15 0.414 0.1996 0.2065 0.01216