data_global _chemical_name_mineral 'Beryl' loop_ _publ_author_name 'Groat L A' 'Rossman G R' 'Dyar M D' 'Turner D' 'Piccoli P M B' 'Schultz A J' 'Ottolini L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 597 _journal_page_last 613 _publ_section_title ; Crystal chemistry of dark blue aquamarine from the True Blue showing, Yukon Territory, Canada Note: X-ray ; _database_code_amcsd 0006282 _chemical_compound_source 'True Blue showing, Yukon Territory, Canada' _chemical_formula_sum 'Be3 Al1.356 Mg.258 Fe.384 Si6 O18.912 Na.425 H10.944' _cell_length_a 9.2909 _cell_length_b 9.2909 _cell_length_c 9.1996 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 687.726 _exptl_crystal_density_diffrn 2.816 _symmetry_space_group_name_H-M 'P 6/m c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,1/2+z' 'x-y,-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_occupancy _atom_site_U_iso_or_equiv Be 0.50000 0.00000 0.25000 1.00000 0.00870 Al 0.33333 0.66667 0.25000 0.67800 0.00580 Mg 0.33333 0.66667 0.25000 0.12900 0.00580 Fe 0.33333 0.66667 0.25000 0.19200 0.00580 Si 0.38506 0.11197 0.00000 1.00000 0.00570 O1 0.30440 0.23000 0.00000 1.00000 0.01380 O2 0.49435 0.14133 0.14509 1.00000 0.01060 Na 0.00000 0.00000 0.00000 0.42500 0.01700 OW 0.00000 0.00000 0.25000 0.91200 0.04900 H 0.00000 0.09000 0.19000 0.91200 0.05000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Be 0.00960 0.00800 0.00780 0.00410 0.00000 0.00000 Al 0.00550 0.00550 0.00650 0.00270 0.00000 0.00000 Mg 0.00550 0.00550 0.00650 0.00270 0.00000 0.00000 Fe 0.00550 0.00550 0.00650 0.00270 0.00000 0.00000 Si 0.00600 0.00550 0.00590 0.00310 0.00000 0.00000 O1 0.01440 0.01210 0.01940 0.01000 0.00000 0.00000 O2 0.01340 0.01300 0.00790 0.00840 -0.00240 -0.00030 Na 0.01100 0.01100 0.02800 0.00550 0.00000 0.00000 OW 0.06000 0.06000 0.02800 0.03000 0.00000 0.00000