data_global _chemical_name_mineral 'Hambergite' loop_ _publ_author_name 'Gatta G D' 'McIntyre G J' 'Bromiley G' 'Guastoni A' 'Nestola F' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1891 _journal_page_last 1897 _publ_section_title ; A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F) ; _database_code_amcsd 0019722 _chemical_compound_source 'Anjanabonoina mine, Madagascar' _chemical_formula_sum 'Be2 B O3.96 H.96 F.04' _cell_length_a 9.762 _cell_length_b 12.201 _cell_length_c 4.430 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 527.640 _exptl_crystal_density_diffrn 2.365 _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_occupancy _atom_site_U_iso_or_equiv Be1 0.00261 0.18871 0.26018 1.00000 0.00651 Be2 0.23724 0.06757 0.27717 1.00000 0.00650 B 0.10617 0.10704 0.77298 1.00000 0.00451 O1 0.03760 0.18766 0.61914 1.00000 0.00697 O2 0.10120 0.10302 0.08204 1.00000 0.00665 O3 0.18691 0.03450 0.61701 1.00000 0.00731 O4 0.33976 0.17302 0.29600 0.96000 0.00839 H 0.31380 0.22280 0.45740 0.96000 0.02380 F4 0.33976 0.17302 0.29600 0.04000 0.00839 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 Be1 0.00720 0.00600 0.00630 0.00030 -0.00020 -0.00011 Be2 0.00780 0.00590 0.00580 0.00080 0.00020 -0.00010 B 0.00460 0.00410 0.00410 0.00150 -0.00010 0.00030 O1 0.01010 0.00560 0.00520 0.00260 -0.00100 -0.00020 O2 0.00810 0.00720 0.00470 0.00260 -0.00020 -0.00010 O3 0.01000 0.00680 0.00510 0.00390 0.00090 0.00090 O4 0.00650 0.00810 0.01060 -0.00170 0.00110 -0.00150 H 0.02310 0.02260 0.02580 -0.00150 0.00600 -0.01080 F4 0.00650 0.00810 0.01060 -0.00170 0.00110 -0.00150