data_global _amcsd_formula_title 'B60 Fe60 Sm17' loop_ _publ_author_name 'Bezinge A' 'Braun H' 'Muller J' 'Yvon K' _journal_name_full 'Solid State Communications' _journal_volume 55 _journal_year 1985 _journal_page_first 131 _journal_page_last 135 _publ_section_title ; Tetragonal rare earth (R) iron borides, R(1+x) Fe4 B4 (x=0.1), with incommensurate rare earth and iron substructures _cod_database_code 1008320 ; _database_code_amcsd 0016235 _chemical_formula_sum 'Sm17 Fe60 B60' _cell_length_a 7.098 _cell_length_b 7.098 _cell_length_c 58.69 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2956.896 _exptl_crystal_density_diffrn 7.363 _symmetry_space_group_name_H-M 'P 42/n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,1/2-x,1/2-z' '-y,1/2+x,1/2+z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '1/2-y,x,1/2-z' '1/2+y,-x,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sm1 0.25000 0.25000 0.25000 Sm2 0.25000 0.25000 0.01470 Sm3 0.25000 0.25000 0.07350 Sm4 0.25000 0.25000 0.13230 Sm5 0.25000 0.25000 0.19120 Sm6 0.25000 0.25000 0.54410 Sm7 0.25000 0.25000 0.60290 Sm8 0.25000 0.25000 0.66180 Sm9 0.25000 0.25000 0.72060 Fe1 0.12060 0.63070 0.02530 Fe2 0.12660 0.87550 0.05870 Fe3 0.13790 0.62270 0.09200 Fe4 0.11950 0.86860 0.12530 Fe5 0.13410 0.61750 0.15870 Fe6 0.11710 0.86540 0.19200 Fe7 0.13320 0.61830 0.22530 Fe8 0.12090 0.86960 0.25870 Fe9 0.12650 0.62460 0.29200 Fe10 0.12870 0.87750 0.32530 Fe11 0.11890 0.63260 0.35870 Fe12 0.13550 0.88370 0.39200 Fe13 0.11520 0.63690 0.42530 Fe14 0.13640 0.88490 0.45870 Fe15 0.11740 0.63420 0.49200 B1 0.52800 0.40800 0.04170 B2 0.52800 0.40800 0.10800 B3 0.52800 0.40800 0.17500 B4 0.52800 0.40800 0.24200 B5 0.52800 0.40800 0.30800 B6 0.52800 0.40800 0.37500 B7 0.52800 0.40800 0.44200 B8 0.52800 0.40800 0.50800 B9 0.52800 0.40800 0.57500 B10 0.52800 0.40800 0.64200 B11 0.52800 0.40800 0.70800 B12 0.52800 0.40800 0.77500 B13 0.52800 0.40800 0.84200 B14 0.52800 0.40800 0.90800 B15 0.52800 0.40800 0.97500