data_9000458
_chemical_name 'Joaquinite-(Ce)'
loop_
_publ_author_name
'Dowty E'
_journal_name_full "American Mineralogist"
_journal_volume 60
_journal_year 1975
_journal_page_first 872
_journal_page_last 878
_publ_section_title
;
 Crystal structure of joaquinite
;
_chemical_formula_sum 'Ba2 Ce2 Ti2 (Fe1.04 Na.96) Si8 O28 H3'
_cell_length_a 10.516
_cell_length_b 9.686
_cell_length_c 11.833
_cell_angle_alpha 90
_cell_angle_beta 109.67
_cell_angle_gamma 90
_cell_volume 1134.953
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ba   0.23660   0.00000   0.00580   1.00000 ?
Ce   0.16670   0.74670   0.45180   1.00000 ?
Ti   0.04900   0.73690   0.12760   1.00000 ?
Fe1   0.00000   0.36940   0.50000   0.79000 ?
Na1   0.00000   0.36940   0.50000   0.21000 ?
Fe2   0.00000   0.05400   0.50000   0.25000 ?
Na2   0.00000   0.05400   0.50000   0.75000 ?
Si1   0.37730   0.73430   0.24260   1.00000 ?
Si2   0.30850   0.26740   0.24320   1.00000 ?
Si3   0.12060   0.03750   0.29170   1.00000 ?
Si4   0.09290   0.43650   0.27090   1.00000 ?
O1   0.00000   0.86700   0.00000   1.00000   0.00760
O2   0.00000   0.60600   0.00000   1.00000   0.01013
O3   0.11600   0.88100   0.25100   1.00000   0.01520
O4   0.18800   0.38500   0.19100   1.00000   0.01140
O5   0.22600   0.11500   0.23700   1.00000   0.01646
O6   0.23300   0.71500   0.13300   1.00000   0.00887
O7   0.47200   0.60500   0.22900   1.00000   0.02026
O8   0.08600   0.60400   0.26800   1.00000   0.01267
O9   0.37100   0.73700   0.37500   1.00000   0.01267
O10   0.41200   0.30300   0.37200   1.00000   0.01900
O11   0.14400   0.36800   0.40300   1.00000   0.01773
O12   0.17300   0.04400   0.44300   1.00000   0.02153
O13   0.36700   0.25400   0.13300   1.00000   0.01013
O14   0.43900   0.88000   0.20300   1.00000   0.02153
O-H   0.00000   0.57600   0.50000   1.00000   0.06333
Wat   0.00000   0.19900   0.00000   1.00000   0.03293