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: 2 ; _database_code_amcsd 0010158 _chemical_formula_sum 'Ta Br4 P2 C16' _cell_length_a 14.38 _cell_length_b 19.17 _cell_length_c 8.28 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2282.503 _exptl_crystal_density_diffrn 2.196 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-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 Ta1 0.04718 0.27998 -0.08420 0.03570 Br1 -0.02830 0.39960 -0.08080 0.06160 Br2 -0.03940 0.24890 0.17200 0.06020 Br3 -0.06390 0.22820 -0.28250 0.06470 Br4 0.19840 0.30830 0.03880 0.05140 P1 0.09930 0.14790 -0.05900 0.04770 P2 0.13030 0.32310 -0.35420 0.04440 C1 0.16600 0.13100 0.12700 0.05760 C2 0.00200 0.08800 -0.04000 0.06190 C3 0.17200 0.10930 -0.23100 0.05060 C4 0.11900 0.07850 -0.35100 0.05990 C5 0.17600 0.05470 -0.47500 0.07020 C6 0.27300 0.06270 -0.46700 0.07480 C7 0.32000 0.09480 -0.33900 0.07690 C8 0.26600 0.11990 -0.21300 0.06410 C9 0.05400 0.36800 -0.49000 0.06550 C10 0.17900 0.25500 -0.47700 0.04610 C11 0.22600 0.39160 -0.33700 0.05620 C12 0.19400 0.45400 -0.27000 0.06280 C13 0.26100 0.50580 -0.26100 0.07340 C14 0.35000 0.49000 -0.31900 0.07550 C15 0.37500 0.42500 -0.38500 0.07770 C16 0.31100 0.37100 -0.39700 0.07090