data_global _chemical_name_mineral 'Gillespite' loop_ _publ_author_name 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 68 _journal_year 1983 _journal_page_first 595 _journal_page_last 603 _publ_section_title ; High-pressure and high-temperature crystallographic study of the gillespite I-II phase transition P = 21 kbar ; _database_code_amcsd 0000899 _chemical_compound_source 'Fresno Co, California, USA' _chemical_formula_sum 'Ba Fe Si4 O10' _cell_length_a 7.4985 _cell_length_b 7.3223 _cell_length_c 7.920 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 434.858 _exptl_crystal_density_diffrn 3.555 _symmetry_space_group_name_H-M 'P 21 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2-y,-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 0.00000 0.00000 -0.02670 ? Fe 0.50000 0.00000 0.18460 ? Si1 0.21860 0.68650 0.32760 ? Si2 0.18680 0.25640 0.29460 ? O1 0.26280 0.18290 0.47410 ? O2 0.21460 0.47630 0.27610 0.01646 O3 0.97270 0.22190 0.26860 0.01773 O4 0.62850 0.22410 0.24000 0.01520 O5 0.28130 0.15630 0.14010 0.01267 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba 0.01196 0.00139 0.01780 -0.00640 0.00000 0.00000 Fe 0.00741 0.00733 0.01525 -0.00139 0.00000 0.00000 Si1 0.00940 0.00788 0.01271 0.00111 -0.00602 0.00000 Si2 0.00570 0.00625 0.05084 -0.00083 0.00301 -0.00588 O1 0.01994 0.02445 0.19067 0.00167 -0.00301 -0.01763