data_global _chemical_name_mineral 'Scottyite' loop_ _publ_author_name 'Chen Y' 'Zhang Y' 'Feng S' _journal_name_full 'Dyes and Pigments' _journal_volume 105 _journal_year 2014 _journal_page_first 167 _journal_page_last 173 _publ_section_title ; Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 ; _database_code_amcsd 0020060 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Cu2 Si2 O7' _cell_length_a 6.86317 _cell_length_b 13.1773 _cell_length_c 6.86317 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 620.692 _exptl_crystal_density_diffrn 4.629 _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_U_iso_or_equiv Ba -0.01330 0.25000 0.95650 0.00025 Cu 0.22080 0.00340 0.79190 0.00025 Si -0.00270 0.13570 0.47270 0.00038 O1 0.09700 0.25000 0.48500 0.00013 O2 -0.18300 0.13440 0.62830 0.00025 O3 -0.07000 0.10920 0.23630 0.00025 O4 0.16500 0.06320 0.53100 0.00051