data_global _chemical_name_mineral 'Clinometaborite' loop_ _publ_author_name 'Zachariasen W H' _journal_name_full 'Acta Crystallographica' _journal_volume 16 _journal_year 1963 _journal_page_first 385 _journal_page_last 389 _publ_section_title ; The crystal structure of monoclinic metaboric acid ; _database_code_amcsd 0018978 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'B O2 H' _cell_length_a 7.122 _cell_length_b 8.842 _cell_length_c 6.771 _cell_angle_alpha 90 _cell_angle_beta 93.26 _cell_angle_gamma 90 _cell_volume 425.698 _exptl_crystal_density_diffrn 2.051 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,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 B1 0.26180 0.28910 0.47800 B2 0.40150 0.33830 0.17140 B3 0.23240 0.54220 0.32950 O1 0.21210 0.19390 0.62080 O2 0.21600 0.43900 0.49450 O3 0.35380 0.23790 0.31590 O4 0.35570 0.48660 0.18240 O5 0.49790 0.28380 0.01800 O6 0.03330 0.54670 0.22370 H1 0.02000 0.62000 0.15100 H2 0.54700 0.35700 0.94900 H3 0.93300 0.55200 0.34200 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 B1 0.01819 0.00356 0.01181 0.00096 0.00536 -0.00061 B2 0.02126 0.00673 0.01713 0.00096 0.00414 -0.00212 B3 0.02023 0.00871 0.01088 0.00127 0.00365 -0.00030 O1 0.02561 0.00634 0.01296 0.00287 0.00852 0.00212 O2 0.02075 0.00515 0.01343 0.00191 0.00755 0.00151 O3 0.02869 0.00634 0.01528 0.00350 0.01047 0.00151 O4 0.02459 0.00753 0.01435 0.00159 0.01047 0.00030 O5 0.02971 0.00713 0.01783 0.00032 0.01339 -0.00242 O6 0.01742 0.01149 0.01528 0.00000 0.00390 0.00151