data_global _chemical_name_mineral 'Fluoborite' loop_ _publ_author_name 'Camara F' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 103 _journal_page_last 107 _publ_section_title ; New data on the crystal-chemistry of fluoborite by means of SREF, SIMS and EMP analysis Sample: Fbor 2V-43 n.2 ; _database_code_amcsd 0002341 _chemical_formula_sum 'B Mg3 H3 O3 F3' _cell_length_a 8.8612 _cell_length_b 8.8612 _cell_length_c 3.1021 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 210.946 _exptl_crystal_density_diffrn 3.019 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-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 B 0.66667 0.33333 0.75000 ? Mg 0.36904 0.03123 0.25000 ? H 0.16800 0.11300 0.25000 0.01292 O 0.55223 0.15481 0.75000 ? F 0.29653 0.20836 0.25000 ? 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 B 0.00471 0.00471 0.00370 0.00236 0.00000 0.00000 Mg 0.00737 0.00630 0.00606 0.00364 0.00000 0.00000 O 0.00600 0.00453 0.00736 0.00209 0.00000 0.00000 F 0.01626 0.00993 0.00758 0.00901 0.00000 0.00000