data_global _chemical_name_mineral 'Sibirskite' loop_ _publ_author_name 'Sun W' 'Huang Y-X' 'Li Z' 'Pan Y' 'Mi J-X' _journal_name_full 'The Canadian Mineralogist' _journal_volume 49 _journal_year 2011 _journal_page_first 823 _journal_page_last 834 _publ_section_title ; Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K ; _database_code_amcsd 0018463 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca H B O3' _cell_length_a 3.5624 _cell_length_b 9.5225 _cell_length_c 8.6231 _cell_angle_alpha 90 _cell_angle_beta 119.452 _cell_angle_gamma 90 _cell_volume 254.718 _exptl_crystal_density_diffrn 2.605 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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 Ca(1) 0.50358 0.49298 0.71256 ? H(1) -0.00600 0.88700 0.93800 0.03500 B(1) 0.14050 0.23630 0.42500 ? O(1) 0.16410 0.37940 0.42620 ? O(2) 0.10260 0.15250 0.29080 ? O(3) 0.12820 0.16690 0.56710 ? 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 Ca(1) 0.01030 0.01030 0.01170 -0.00040 0.00560 -0.00050 B(1) 0.00560 0.01530 0.00940 -0.00020 0.00350 -0.00010 O(1) 0.01290 0.00870 0.01110 0.00050 0.00550 -0.00130 O(2) 0.01340 0.01170 0.01230 -0.00190 0.00730 -0.00300 O(3) 0.02740 0.01080 0.01620 0.00250 0.01420 0.00270