data_global _chemical_name_mineral 'Hambergite' loop_ _publ_author_name 'Burns P C' 'Novak M' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 1205 _journal_page_last 1213 _publ_section_title ; Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM5 ; _database_code_amcsd 0005474 _chemical_compound_source 'Kracovice' _chemical_formula_sum 'Be2 B H O4' _cell_length_a 9.654 _cell_length_b 12.347 _cell_length_c 4.4364 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 528.810 _exptl_crystal_density_diffrn 2.357 _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 Be1 0.00400 0.18930 0.26320 0.00810 Be2 0.23830 0.06600 0.28000 0.00800 B 0.10810 0.10930 0.77750 0.00750 H 0.81600 0.19500 0.04600 0.02000 O1 0.03750 0.18870 0.62440 0.00840 O2 0.10390 0.10520 0.08670 0.00860 O3 0.18830 0.03670 0.62150 0.00900 O4 0.34490 0.16600 0.29510 0.01310