data_global _chemical_name_mineral 'Walstromite' loop_ _publ_author_name 'Barkley M C' 'Downs R T' 'Yang H' _journal_name_full 'American Mineralogist' _journal_volume 96 _journal_year 2011 _journal_page_first 797 _journal_page_last 801 _publ_section_title ; Structure of walstromite, BaCa2Si3O9, and its relationship to CaSiO3-walstromite and wollastonite-II ; _database_code_amcsd 0018336 _chemical_compound_source 'Esquire No. 8 claim, Big Creek, Fresno County, California, U.S.A.' _chemical_formula_sum 'Ca2 Ba Si3 O9' _cell_length_a 6.7335 _cell_length_b 9.6142 _cell_length_c 6.6859 _cell_angle_alpha 69.638 _cell_angle_beta 102.281 _cell_angle_gamma 96.855 _cell_volume 396.009 _exptl_crystal_density_diffrn 3.738 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Ca1 0.27564 0.50942 0.76296 0.01177 Ca2 0.43704 0.82810 0.94439 0.00973 Ba1 0.04730 0.84865 0.32147 0.01220 Si1 0.09661 0.22212 0.15253 0.00860 Si2 0.23397 0.48134 0.28615 0.00874 Si3 0.44128 0.19622 0.51332 0.00879 O1 0.23339 0.26112 -0.02934 0.01177 O2 -0.10090 0.12277 0.10406 0.01177 O3 0.04567 0.37136 0.20048 0.01173 O4 0.37296 0.55630 0.10710 0.01154 O5 0.13494 0.58601 0.36970 0.01465 O6 0.35978 0.35593 0.50597 0.01215 O7 0.61408 0.23412 0.36858 0.01143 O8 0.50803 0.09161 0.75696 0.01287 O9 0.23046 0.12449 0.39321 0.01069 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 Ca1 0.01328 0.01067 0.01086 0.00050 0.00405 -0.00192 Ca2 0.00867 0.01155 0.01055 0.00086 0.00318 -0.00471 Ba1 0.01371 0.01095 0.01248 0.00202 0.00236 -0.00413 Si1 0.00818 0.00875 0.00930 -0.00041 0.00331 -0.00279 Si2 0.00844 0.00939 0.00968 0.00095 0.00362 -0.00348 Si3 0.00847 0.00997 0.00787 0.00055 0.00220 -0.00244 O1 0.01090 0.01264 0.01235 0.00008 0.00539 -0.00314 O2 0.00991 0.01151 0.01378 -0.00041 0.00242 -0.00425 O3 0.01061 0.01152 0.01307 0.00140 0.00323 -0.00321 O4 0.01125 0.01280 0.01060 -0.00164 0.00496 -0.00293 O5 0.01829 0.01186 0.01588 0.00246 0.00637 -0.00473 O6 0.01505 0.01043 0.01124 0.00130 0.00300 -0.00336 O7 0.01126 0.01332 0.01122 -0.00103 0.00538 -0.00454 O8 0.01634 0.01203 0.00967 0.00181 0.00256 -0.00245 O9 0.01070 0.01011 0.01072 0.00036 0.00238 -0.00258