data_global _amcsd_formula_title 'TaBr4(PhPMe2)2' loop_ _publ_author_name 'Hovnanian N' 'Hubert-Pfalzgraf L G' 'Borgne G L' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1207 _journal_page_last 1209 _publ_section_title ; Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 1 ; _database_code_amcsd 0010157 _chemical_formula_sum 'Ta Br4 P2 C16' _cell_length_a 8.493 _cell_length_b 30.369 _cell_length_c 8.898 _cell_angle_alpha 90 _cell_angle_beta 99.22 _cell_angle_gamma 90 _cell_volume 2265.356 _exptl_crystal_density_diffrn 2.213 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Ta -0.00012 0.12351 0.25369 0.03952 Br1 0.25800 0.16384 0.35030 0.07954 Br2 0.02740 0.07989 0.49910 0.08625 Br3 0.12930 0.07248 0.09530 0.06839 Br4 -0.19410 0.17569 0.33240 0.06903 P1 -0.24550 0.07060 0.16770 0.04104 P2 -0.02100 0.17930 0.02080 0.04559 C1 -0.40300 0.07870 0.27600 0.07092 C2 -0.19500 0.01330 0.20500 0.06333 C3 -0.34100 0.06940 -0.03100 0.04179 C4 -0.48800 0.09120 -0.07900 0.05193 C5 -0.56500 0.08680 -0.22400 0.06079 C6 -0.49700 0.06400 -0.32900 0.06713 C7 -0.35200 0.04360 -0.28800 0.07092 C8 -0.27500 0.04820 -0.13800 0.05699 C9 0.03800 0.23470 0.08700 0.08612 C10 0.11300 0.16630 -0.11100 0.08359 C11 -0.21200 0.18890 -0.09500 0.03926 C12 -0.25300 0.17040 -0.23900 0.05066 C13 -0.39900 0.17900 -0.32800 0.05826 C14 -0.50700 0.20510 -0.27500 0.05953 C15 -0.46800 0.22260 -0.13400 0.05699 C16 -0.32500 0.21560 -0.04600 0.04813