data_global
_chemical_name_mineral 'Strontio-orthojoaquinite'
loop_
_publ_author_name
'Kato T'
'Mizota T'
_journal_name_full 'Journal of the Faculty of Liberal Arts. Yamaguchi University'
_journal_volume 24 
_journal_year 1990
_journal_page_first 23
_journal_page_last 32
_publ_section_title
;
 The crystal structure of strontio-orthojoaquinite
;
_database_code_amcsd 0014113
_chemical_compound_source 'amphibole-quartz-albite dike cutting serpentinite in Ohmi, Nigata Prefecture, Japan'
_chemical_formula_sum 'Ba4 Ti2 Si8 O28 Fe Na H4'
_cell_length_a 10.602
_cell_length_b 9.841
_cell_length_c 22.621
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2360.146
_exptl_crystal_density_diffrn      3.942
_symmetry_space_group_name_H-M 'P 21 a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  'x,y,-z'
  '1/2+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
Bal   0.00000   0.00000   0.00000   0.00595
Ba2   0.50000   0.50000   0.00000   0.00608
Ba3   0.38100   0.22700   0.27500   0.00735
Ba4   0.75300   0.22100   0.22200   0.00557
Ba5   0.63800   0.02100   0.50000   0.01305
Ba6   0.14600   0.52700   0.50000   0.00114
Til   0.37800   0.25000   0.43600   0.00127
Ti2   0.75300   0.25500   0.06300   0.00127
Si1   0.03800   0.24700   0.11900   0.00127
Si2   0.47400   0.23100   0.12400   0.00127
Si3   0.25400   0.04400   0.14000   0.02178
Si4   0.26100   0.44500   0.14000   0.00127
Si5   0.38200   0.94600   0.36100   0.00127
Si6   0.38200   0.52200   0.35700   0.01659
Si7   0.65400   0.25900   0.37500   0.00279
Si8   0.09600   0.25900   0.38000   0.00469
O1   0.12900   0.35300   0.11900   0.03470
O2   0.40200   0.11400   0.11100   0.00127
O3   0.14600   0.11800   0.10300   0.00127
O4   0.39700   0.37600   0.11200   0.00127
O5   0.74500   0.10100   0.12300   0.00760
O6   0.73900   0.36600   0.13200   0.00127
O7   0.52800   0.30200   0.18800   0.00127
O8   0.01300   0.27300   0.22500   0.00127
O9   0.56000   0.21900   0.06100   0.03166
O10   0.97400   0.24800   0.06500   0.01267
O11   0.24500   0.07900   0.21500   0.00127
O12   0.28700   0.43600   0.21100   0.00127
O13   0.50200   0.88000   0.39700   0.00127
O14   0.27600   0.88700   0.38600   0.00760
O15   0.23000   0.62500   0.38600   0.04901
O16   0.53800   0.58600   0.38900   0.01760
O17   0.60300   0.24400   0.31000   0.01811
O18   0.14900   0.26000   0.31400   0.00139
O19   0.20500   0.24000   0.43400   0.00127
O20   0.56200   0.26300   0.42900   0.00127
O21   0.38300   0.12000   0.35600   0.04952
O22   0.37700   0.41000   0.37400   0.00127
O23   0.88700   0.42100   0.28300   0.01659
O24   0.90500   0.07600   0.29200   0.02900
O-H1   0.78200   0.13100   0.00000   0.00127
O-H2   0.76500   0.37400   0.00000   0.00127
O-H3   0.38300   0.00300   0.50000   0.00127
O-H4   0.38400   0.46200   0.50000   0.00127
O-H5   0.29500   0.24600   0.00000   0.01267
O-H6   0.90600   0.22700   0.50000   0.01267
O-H7   0.56300   0.99600   0.22700   0.01267
Fe   0.06500   0.12800   0.24800   0.01431
Na   0.05700   0.45200   0.23400   0.03458