data_global
_chemical_name_mineral 'Becquerelite'
loop_
_publ_author_name
'Piret-Meunier J'
'Piret P'
_journal_name_full 'Bulletin de Mineralogie'
_journal_volume 105 
_journal_year 1982
_journal_page_first 606
_journal_page_last 610
_publ_section_title
;
 Nouvelle determination de la structure cristalline de la bequerelite
;
_database_code_amcsd 0012079
_chemical_compound_source 'Shinkolobwe,  Shaba, Zaire'
_chemical_formula_sum 'Ca U6 O30 H22'
_cell_length_a 13.86
_cell_length_b 12.30
_cell_length_c 14.92
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2543.532
_exptl_crystal_density_diffrn      5.146
_symmetry_space_group_name_H-M 'P n 21 a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.04320   0.07670   0.46600   0.02026
U1   0.15160   0.06590   0.21140   0.00595
U2   0.37160   0.24750   0.25240   0.00747
U3   0.65780   0.43780   0.29170   0.00887
U4   0.91030   0.55860   0.25830   0.00773
U5   0.12690   0.75000   0.22220   0.00697
U6   0.40620   0.93970   0.24920   0.00621
O1   0.17400   0.04800   0.08900   0.02026
O2   0.12600   0.08600   0.33700   0.02026
O3   0.42900   0.22100   0.13600   0.02026
O4   0.32100   0.25400   0.36800   0.02026
O5   0.66400   0.46200   0.40800   0.02026
O6   0.65000   0.40600   0.17100   0.02026
O7   0.94100   0.54000   0.37600   0.02026
O8   0.87000   0.57600   0.13900   0.02026
O9   0.15500   0.73100   0.34100   0.02026
O10   0.10200   0.74100   0.10000   0.02026
O11   0.36300   0.89300   0.36300   0.02026
O12   0.44700   0.97600   0.13200   0.02026
O13   0.06400  -0.08400   0.22500   0.01393
O-H14  -0.01300   0.12000   0.19400   0.01520
O-H15   0.19500   0.26200   0.17700   0.01520
O16   0.30900   0.08400   0.24300   0.01393
O17   0.31500   0.41800   0.21700   0.01393
O18   0.06300   0.58400   0.23200   0.01393
O-H19   0.99100   0.37400   0.18900   0.01520
O-H20   0.45000   0.76400   0.22600   0.01520
O-H21   0.25300   0.87200   0.19800   0.01520
O-H22   0.25800   0.62800   0.18400   0.01520
Wat23   0.22000   0.35900   0.51000   0.02786
Wat24   0.20300   0.27000  -0.00600   0.02786
Wat25   0.04900  -0.39400  -0.01800   0.02786
Wat26   0.01200  -0.12800  -0.01700   0.02786
Wat27   0.22400   0.11300   0.49600   0.02280
Wat28   0.10800  -0.12500   0.47900   0.02280
Wat29   0.05300   0.27700   0.52200   0.02280
Wat30  -0.12600   0.08900   0.51400   0.02280