data_global _chemical_name_mineral 'Fabianite' loop_ _publ_author_name 'Konnert J A' 'Clark J R' 'Christ C L' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 132 _journal_year 1970 _journal_page_first 241 _journal_page_last 254 _publ_section_title ; Crystal structure of fabianite, CaB3O5(OH), and comparison with the structure of its syntheic dimorph ; _database_code_amcsd 0010718 _chemical_compound_source 'salt deposits near Diepholz, Germany' _chemical_formula_sum 'Ca B3 (O6 H)' _cell_length_a 6.593 _cell_length_b 10.488 _cell_length_c 6.365 _cell_angle_alpha 90 _cell_angle_beta 113.38 _cell_angle_gamma 90 _cell_volume 403.986 _exptl_crystal_density_diffrn 2.787 _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 _atom_site_U_iso_or_equiv Ca 0.30410 0.43710 0.63720 0.01153 B1 0.41390 0.11240 0.75560 0.01203 B2 0.75620 0.07650 0.12590 0.01229 B3 0.51740 0.26900 0.07390 0.01178 O-H1 0.42430 0.12840 0.52780 0.01305 O2 0.39300 0.23870 0.84890 0.01254 O3 0.21610 0.03250 0.72250 0.01153 O4 0.62070 0.05020 0.89020 0.01115 O5 0.67390 0.18920 0.21750 0.01305 O6 0.98450 0.11310 0.15270 0.01393 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 0.01299 0.01337 0.00761 -0.00032 0.00340 0.00093 B1 0.01670 0.01282 0.00657 0.00000 0.00448 0.00031 B2 0.01855 0.01226 0.00588 -0.00064 0.00502 0.00093 B3 0.01317 0.01226 0.00968 -0.00096 0.00412 0.00031 O-H1 0.01670 0.01449 0.00761 -0.00096 0.00394 0.00062 O2 0.01540 0.01170 0.00813 0.00096 0.00161 -0.00031 O3 0.01095 0.01393 0.00847 0.00032 0.00215 0.00155 O4 0.01336 0.01282 0.00623 -0.00129 0.00251 -0.00031 O5 0.01651 0.01226 0.00795 -0.00129 0.00197 0.00124 O6 0.01410 0.01449 0.01159 -0.00032 0.00304 -0.00341