data_global _amcsd_formula_title 'Zn3(BO3)2' loop_ _publ_author_name 'Baur W H' 'Tillmanns E' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 131 _journal_year 1970 _journal_page_first 213 _journal_page_last 221 _publ_section_title ; The space group and crystal structure of trizinc diorthoborate ; _database_code_amcsd 0010709 _chemical_formula_sum 'Zn3 B2 O6' _cell_length_a 23.406 _cell_length_b 5.048 _cell_length_c 8.381 _cell_angle_alpha 90 _cell_angle_beta 97.53 _cell_angle_gamma 90 _cell_volume 981.705 _exptl_crystal_density_diffrn 4.246 _symmetry_space_group_name_H-M 'I 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn1 0.04950 0.82910 0.37460 0.00773 Zn2 0.12750 0.68410 0.74880 0.00671 Zn3 0.20950 0.69210 0.49920 0.00760 B1 0.06600 0.32130 0.53200 -0.00380 B2 0.18700 0.18350 0.66830 -0.00253 O1 0.03630 0.20180 0.63620 0.00253 O2 0.08200 0.58850 0.54080 0.00127 O3 0.07980 0.18740 0.40010 0.00887 O4 0.18430 0.91170 0.66320 ? O5 0.21490 0.31320 0.55370 0.00253 O6 0.16330 0.67830 0.28470 0.00507