data_global _chemical_name_mineral 'Chrysoberyl' loop_ _publ_author_name 'Hazen R M' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 14 _journal_year 1987 _journal_page_first 13 _journal_page_last 20 _publ_section_title ; High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 1 bar ; _database_code_amcsd 0007428 _chemical_formula_sum 'Al2 Be O4' _cell_length_a 4.428 _cell_length_b 9.415 _cell_length_c 5.481 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 228.501 _exptl_crystal_density_diffrn 3.691 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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_U_iso_or_equiv Al1 0.00000 0.00000 0.00000 0.00697 Al2 0.99420 0.27290 0.25000 0.00469 Be 0.43280 0.09300 0.25000 0.01013 O1 0.78990 0.09050 0.25000 0.00735 O2 0.24190 0.43300 0.25000 0.00811 O3 0.25690 0.16280 0.01540 0.00621 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 Al1 0.00695 0.00719 0.00654 0.00042 0.00074 0.00000 Al2 0.00467 0.00449 0.00472 0.00253 0.00000 0.00000 Be 0.00983 0.01168 0.00837 0.00063 0.00000 0.00000 O1 0.00924 0.00494 0.00807 0.00021 0.00000 0.00000 O2 0.00914 0.00674 0.00837 -0.00169 0.00000 0.00000 O3 0.00556 0.00808 0.00487 0.00127 0.00111 0.00000