data_global _chemical_name_mineral 'Boron' loop_ _publ_author_name 'Slack G A' 'Hejna C I' 'Garbauskas M F' 'Kasper J S' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 76 _journal_year 1988 _journal_page_first 52 _journal_page_last 63 _publ_section_title ; The crystal structure and density of beta-rhombohedral boron Note: beta-phase ; _database_code_amcsd 0020598 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'B35.62' _cell_length_a 10.932 _cell_length_b 10.932 _cell_length_c 23.819 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2465.207 _exptl_crystal_density_diffrn 2.335 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv B1 0.17300 0.17410 0.17670 1.00000 0.00600 B2 0.31910 0.29570 0.12940 1.00000 0.00600 B3 0.26140 0.21750 0.41970 1.00000 0.00600 B4 0.23490 0.25160 0.34690 1.00000 0.00600 B5 0.05450 0.10900 0.94370 1.00000 0.00500 B6 0.08650 0.17300 0.01320 1.00000 0.00500 B7 0.10980 0.21960 0.88600 1.00000 0.00500 B8 0.17050 0.34100 0.02800 1.00000 0.00500 B9 0.12870 0.25740 0.76660 1.00000 0.00500 B10 0.10200 0.20400 0.69850 1.00000 0.00500 B11 0.05640 0.11280 0.32660 1.00000 0.00500 B12 0.08970 0.17940 0.39900 1.00000 0.00500 B13 0.05790 0.11580 0.55380 0.74500 0.01100 B14 0.00000 0.00000 0.38550 1.00000 0.00500 B15 0.00000 0.00000 0.50000 1.00000 0.01400 B16 0.05460 0.10920 0.11760 0.27200 0.00900 B17 0.08330 0.16660 0.47600 0.08500 0.04300 B18 0.14400 0.28800 0.52390 0.06600 0.00600 B19 0.18050 0.36100 0.53470 0.06800 0.00600 B20 0.20670 0.22800 0.07110 0.03700 0.01100