data_global _chemical_name_mineral 'Frolovite' loop_ _publ_author_name 'Egorov-Tismenko Y K' 'Gushchina A E' 'Shashkin D N' 'Simonov M A' 'Belov N V' _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_volume 202 _journal_year 1972 _journal_page_first 78 _journal_page_last 80 _publ_section_title ; The crystal structure of frolovite CaB2O4(H2O)4 = Ca(B(OH)4)2 ; _database_code_amcsd 0012451 _chemical_formula_sum 'Ca B2 (O8 H8)' _cell_length_a 7.80 _cell_length_b 5.70 _cell_length_c 7.95 _cell_angle_alpha 108.5 _cell_angle_beta 101.5 _cell_angle_gamma 108.5 _cell_volume 299.656 _exptl_crystal_density_diffrn 2.192 _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 Ca 0.23800 0.01600 0.18900 0.00760 B1 0.02800 0.40700 0.23400 0.01064 B2 0.44800 0.32600 0.71200 0.00393 O-H1 0.06500 0.70300 0.29900 0.00899 O-H2 0.08500 0.29700 0.06700 0.00785 O-H3 0.14100 0.36700 0.38500 0.01026 O-H4 0.18600 0.78300 0.83200 0.01051 O-H5 0.24200 0.14300 0.68200 0.01153 O-H6 0.42600 0.73800 0.16200 0.01102 O-H7 0.47000 0.23100 0.52800 0.00646 O-H8 0.48800 0.61800 0.81000 0.00963