data_global _chemical_name_mineral 'Tantalaeschynite-(Pr)' loop_ _publ_author_name 'Thorogood G J' 'Avdeev M' 'Kennedy B J' _journal_name_full 'Solid State Sciences' _journal_volume 12 _journal_year 2010 _journal_page_first 1263 _journal_page_last 1269 _publ_section_title ; Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide ; _database_code_amcsd 0018925 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pr (Ta Ti) O6' _cell_length_a 10.9511 _cell_length_b 7.5288 _cell_length_c 5.3829 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 443.813 _exptl_crystal_density_diffrn 6.970 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-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_occupancy _atom_site_U_iso_or_equiv Pr 0.45770 0.75000 0.04120 1.00000 0.01001 Ta 0.64350 0.50580 0.45910 0.50000 0.00760 Ti 0.64350 0.50580 0.45910 0.50000 0.00760 O1 0.47360 0.46450 0.26530 1.00000 0.01330 O2 0.28900 0.94360 0.86600 1.00000 0.01393 O3 0.35710 0.75000 0.44990 1.00000 0.00861 O4 0.62280 0.75000 0.34660 1.00000 0.01077