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