data_global _chemical_name_mineral 'Yoshimuraite' loop_ _publ_author_name 'McDonald A M' 'Grice J D' 'Chao G Y' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 649 _journal_page_last 656 _publ_section_title ; The crystal structure of yoshimuraite, a layered Ba-Mn-Ti silicophosphate, with comments on five-coordinated Ti ; _database_code_amcsd 0005651 _chemical_formula_sum 'Ba2 Mn2 (Ti.78 Fe.22) Si2.17 P.46 S.34 O13 H' _cell_length_a 6.999 _cell_length_b 14.748 _cell_length_c 5.386 _cell_angle_alpha 93.62 _cell_angle_beta 89.98 _cell_angle_gamma 95.50 _cell_volume 552.277 _exptl_crystal_density_diffrn 4.385 _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_occupancy Ba1 0.33664 0.32839 0.22065 1.00000 Ba2 0.82198 0.39244 -0.26926 1.00000 Mn1 0.00000 0.00000 0.00000 1.00000 Mn2 0.24817 -0.00484 0.49933 1.00000 Mn3 0.00000 0.50000 0.00000 1.00000 Ti 0.79479 0.20281 0.19897 0.78000 Fe 0.79479 0.20281 0.19897 0.22000 Si1 0.06444 0.18813 -0.30518 1.00000 Si2 0.51303 0.18517 0.69546 1.00000 P 0.71812 0.52290 0.25371 0.46000 S 0.71812 0.52290 0.25371 0.34000 Si 0.71812 0.52290 0.25371 0.17000 O1 0.68966 0.41905 0.23644 1.00000 O2 0.60802 0.23223 0.45759 1.00000 O3 -0.00953 0.23529 -0.04731 1.00000 O4 -0.00825 0.23654 0.45609 1.00000 O5 0.60787 0.23087 -0.04905 1.00000 O6 0.82858 0.55356 0.03761 1.00000 O7 0.17183 0.44764 0.51800 1.00000 O8 0.48855 -0.07530 0.32539 1.00000 O9 -0.22796 0.08182 0.18342 1.00000 O10 0.29597 0.21492 0.69743 1.00000 O-H11 0.26219 0.06656 0.17306 1.00000 O12 0.01737 0.07821 -0.32642 1.00000 O13 0.53965 0.57034 0.26244 1.00000