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 HM3 ; _database_code_amcsd 0005472 _chemical_compound_source 'Ctidruzice' _chemical_formula_sum 'Be2 B H O4' _cell_length_a 9.678 _cell_length_b 12.313 _cell_length_c 4.439 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 528.974 _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 0.00330 0.18940 0.26320 0.01020 Be2 0.23840 0.06670 0.27980 0.01000 B 0.10770 0.10900 0.77620 0.00990 H 0.80800 0.20500 0.12100 0.02000 O1 0.03750 0.18850 0.62350 0.01040 O2 0.10330 0.10450 0.08570 0.01030 O3 0.18800 0.03630 0.62090 0.01090 O4 0.34420 0.16720 0.29500 0.01400