data_global _chemical_name_mineral 'Ezcurrite' loop_ _publ_author_name 'Cannillo E' 'Dal Negro A' 'Ungaretti L' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 110 _journal_page_last 115 _publ_section_title ; The crystal structure of ezcurrite ; _database_code_amcsd 304 _chemical_formula_sum 'Na2 B5 H5 O12' _cell_length_a 8.598 _cell_length_b 9.57 _cell_length_c 6.576 _cell_angle_alpha 102.75 _cell_angle_beta 107.5 _cell_angle_gamma 71.52 _cell_volume 484.714 _exptl_crystal_density_diffrn 2.035 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Na1 0.8988 0.37 0.0373 0.02292 Na2 0.586 0.1519 0.5616 0.03648 B1 0.333333 0.1608 0.1463 0.0133 B2 0.2566 0.285 -0.1777 0.01418 B3 0.458 0.3607 0.156 0.01621 B4 -0.0485 0.371 -0.3761 0.01444 B5 0.159 0.2623 -0.5812 0.01203 H1 0.518 -0.045 0.167 0.038 H2 0.593 0.507 0.186 0.038 H3 -0.292 0.428 -0.481 0.038 H4 0.781 -0.021 0.288 0.06333 H5 0.749 0.087 0.919 0.06333 O1 0.1756 0.2244 0.2169 0.01482 O2 0.411 0.0118 0.213 0.0171 O3 0.2982 0.151 -0.0867 0.01292 O4 0.4508 0.2564 0.2527 0.01697 O5 0.5666 0.4476 0.2676 0.02457 O6 0.3627 0.3865 -0.0474 0.01697 O7 0.0778 0.3727 -0.1868 0.01532 O8 0.2846 0.2489 -0.3991 0.01494 O9 -0.2072 0.4156 -0.3508 0.02533 O10 -0.0113 0.3259 -0.5695 0.01862 O11 0.8265 0.0547 0.4041 0.05155 O12 0.8261 0.144 0.9732 0.0922