data_global _chemical_name_mineral 'Gillespite' loop_ _publ_author_name 'Knight K S' 'Marshall W G' 'Henderson C M B' 'Chamberlain A A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 25 _journal_year 2013 _journal_page_first 909 _journal_page_last 917 _publ_section_title ; Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa ; _database_code_amcsd 0020151 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Ba.5 Sr.5) Cu Si4 O10' _cell_length_a 7.2958 _cell_length_b 7.2958 _cell_length_c 15.396 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 819.509 _exptl_crystal_density_diffrn 3.634 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,1/2+x,-z' 'y,1/2-x,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 Ba 0.25000 0.75000 0.00000 0.50000 Sr 0.25000 0.75000 0.00000 0.50000 Cu 0.25000 0.25000 0.08680 1.00000 Si 0.51910 0.93520 0.15030 1.00000 O1 0.44400 0.00160 0.24300 0.50000 O2 0.72020 0.99450 0.13060 1.00000 O3 0.37980 0.02330 0.08340 1.00000