data_global _chemical_name_mineral 'Boron' loop_ _publ_author_name 'Vlasse M' 'Naslain R' 'Kasper J S' 'Ploog K' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 28 _journal_year 1979 _journal_page_first 289 _journal_page_last 301 _publ_section_title ; Crystal structure of tetragonal boron related to alpha AlB12 ; _database_code_amcsd 0013366 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'B47.47' _cell_length_a 10.14 _cell_length_b 10.14 _cell_length_c 14.17 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1456.954 _exptl_crystal_density_diffrn 2.340 _symmetry_space_group_name_H-M 'P 43' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x,3/4+z' '-x,-y,1/2+z' 'y,-x,1/4+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 Bl -0.12300 0.74200 0.12800 1.00000 0.00540 B1p 0.23800 0.37700 0.87100 1.00000 0.00120 B2 -0.04000 0.62800 0.20800 1.00000 0.00790 B2p 0.13100 0.46100 0.79000 1.00000 0.00290 B3 -0.04400 0.80900 0.22500 1.00000 0.00040 B3p 0.31300 0.45900 0.77000 1.00000 0.00140 B4 -0.04400 0.89300 0.11600 1.00000 0.00040 B4p 0.39400 0.46000 0.88300 1.00000 0.00340 B5 -0.03300 0.60600 0.07800 1.00000 0.00270 B5P 0.10600 0.47000 0.92000 1.00000 0.00530 B6 -0.03700 0.77600 0.02800 1.00000 0.01190 B6P 0.27100 0.46800 0.96900 1.00000 0.01550 B7 0.10900 0.72100 0.24400 1.00000 0.00580 B7p 0.22000 0.60700 0.75400 1.00000 0.01250 B8 0.10500 0.88600 0.19100 1.00000 0.02040 B8p 0.38800 0.60800 0.80600 1.00000 0.00600 B9 0.11800 0.60000 0.15500 1.00000 0.00650 B9p 0.09800 0.62200 0.84500 1.00000 0.01790 B10 0.11300 0.68700 0.04700 1.00000 0.01540 BlOp 0.19400 0.61600 0.93200 1.00000 0.00340 B11 0.11200 0.86400 0.06500 1.00000 0.00710 Bllp 0.36500 0.61300 0.93400 1.00000 0.01390 B12 0.20400 0.75800 0.14400 1.00000 0.00250 B12p 0.26000 0.70200 0.86000 1.00000 0.01910 B13 0.31700 0.55400 0.36200 1.00000 0.00290 Bl3p 0.05600 0.81400 0.63200 1.00000 0.01150 B14 0.38900 0.69800 0.32500 1.00000 0.02760 Bl4p 0.19700 0.88600 0.67500 1.00000 0.03520 B15 0.20300 0.69600 0.34000 1.00000 0.00620 B15p 0.19300 0.70600 0.65500 1.00000 0.00300 B16 0.46800 0.61400 0.41300 1.00000 0.00420 B16P 0.11300 0.96400 0.58900 1.00000 0.00390 B17 0.46700 0.79200 0.42000 1.00000 0.01070 B17p 0.29200 0.95500 0.57400 1.00000 0.01230 B18 0.18700 0.58900 0.44900 1.00000 0.01210 B18p 0.09100 0.68800 0.55200 1.00000 0.00290 B19 0.26500 0.67500 0.54700 1.00000 0.00390 B19p 0.17100 0.76700 0.45500 1.00000 0.00700 B20 0.34600 0.53600 0.49600 1.00000 0.00580 B20p 0.04000 0.84900 0.50300 1.00000 0.00520 B21 0.43900 0.68500 0.52400 1.00000 0.00720 B2lp 0.18200 0.94000 0.47600 1.00000 0.00110 B22 0.33400 0.83500 0.49700 1.00000 0.00620 B23 0.03900 0.53400 0.49700 1.00000 0.00850 B24 0.29000 0.83900 0.38400 1.00000 0.02870 B24p 0.33200 0.80100 0.62900 1.00000 0.02500 B25 0.14500 0.43300 0.46600 0.50000 0.02020 B25p 0.06100 0.36000 0.03500 0.50000 0.00600 B26 0.22500 0.24400 0.73200 0.47000 0.05830