data_global _chemical_name_mineral 'Hexahydroborite' loop_ _publ_author_name 'Ozol Y' 'Vimba S' 'Ievins A' _journal_name_full 'Soviet Physics' _journal_volume 9 _journal_year 1964 _journal_page_first 22 _journal_page_last 25 _publ_section_title ; The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O ; _database_code_amcsd 0015534 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca B2 (O10 H12)' _cell_length_a 7.9997 _cell_length_b 6.7260 _cell_length_c 7.9693 _cell_angle_alpha 90 _cell_angle_beta 103.80 _cell_angle_gamma 90 _cell_volume 416.418 _exptl_crystal_density_diffrn 1.865 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.00000 -0.02500 0.25000 B 0.18300 0.27500 0.06700 O-H1 0.00000 0.21700 0.02100 O-H2 0.26700 0.11700 0.18800 O-H3 0.23300 0.26700 -0.10400 O-H4 0.21700 0.47900 0.13300 Wat5 0.42500 0.19200 0.55800