data_global
_chemical_name_mineral 'Cappelenite-(Y)'
loop_
_publ_author_name
'Shen J'
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 69 
_journal_year 1984
_journal_page_first 190
_journal_page_last 195
_publ_section_title
;
 Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate
 sheet structure
;
_database_code_amcsd 0000935
_chemical_formula_sum 'Ba Y6 Si3 B6 O24 F2'
_cell_length_a 10.67
_cell_length_b 10.67
_cell_length_c 4.680
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 461.429
_exptl_crystal_density_diffrn      4.469
_symmetry_space_group_name_H-M 'P 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.00000   0.00000   0.00000 ?
Y1   0.21550   0.43110   0.94010 ?
Y2   0.43200   0.21610   0.97220 ?
Si   0.00880   0.50490   0.41000 ?
B1   0.25500   0.25500   0.47400 ?
B2   0.00300   0.25400   0.47500 ?
O1   0.37100   0.38700   0.63000 ?
O2   0.01800   0.38700   0.63100 ?
O3   0.57200   0.42800   0.23600 ?
O4   0.42600   0.57300   0.19700 ?
O5   0.28100   0.14000   0.60000 ?
O6   0.11200   0.22700   0.61900 ?
O7   0.26000   0.26200   0.18600 ?
O8   0.00100   0.26500   0.18800 ?
F1   0.33333   0.66667   0.73500   0.01444
F2   0.66667   0.33333   0.78300   0.01191
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
Ba 0.01670 0.01670 0.01940 0.00835 0.00000 0.00000
Y1 0.00010 0.00390 0.01070 0.00140 0.00010 -0.00210
Y2 0.00400 0.00880 0.01730 0.00110 -0.00560 -0.00490
Si 0.01160 0.00740 0.02170 0.00450 0.00170 0.00310
B1 0.01280 0.00010 0.02450 0.01750 0.00320 0.00020
B2 0.03200 0.00010 0.01510 -0.00370 -0.00890 -0.00700
O1 0.01490 0.02340 0.00220 0.00780 0.00620 0.00200
O2 0.03160 0.02300 0.01560 0.01560 -0.00930 0.00440
O3 0.01790 0.00180 0.01290 0.00210 -0.00030 -0.00260
O4 0.00700 0.01060 0.01810 0.00250 -0.00370 -0.00390
O5 0.01250 0.01900 0.02090 0.01150 0.00390 0.00200
O6 0.02290 0.02440 0.02880 0.01900 -0.00350 0.00250
O7 0.00010 0.00790 0.02470 0.00090 -0.00380 -0.00730
O8 0.01090 0.01670 0.01920 0.00690 0.00880 0.00220