data_global
_chemical_name_mineral 'Becquerelite'
loop_
_publ_author_name
'Burns P C'
'Li Y'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 550
_journal_page_last 557
_publ_section_title
;
 The structures of becquerelite and Sr-exchanged becquerelite
 put occ in tables
 Sample: Sr-exchanged becquerelite
;
_database_code_amcsd 0002790
_chemical_formula_sum 'U3 Sr1.27 O14 H9'
_cell_length_a 7.020
_cell_length_b 7.020
_cell_length_c 6.992
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 298.405
_exptl_crystal_density_diffrn      5.890
_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_occupancy
_atom_site_U_iso_or_equiv
U1   0.95640   0.66050   0.36500   1.00000   0.02380
Sr1   0.66667   0.33333  -0.13700   0.61000   0.03890
Sr2   0.00000   0.00000   0.86600   0.66000   0.03950
O1   0.98100   0.69300   0.11700   1.00000   0.07610
O2   0.94900   0.68900   0.63000   1.00000   0.04740
O-H3   0.31900   0.91400   0.32000   1.00000   0.03300
O4   0.66667   0.33333   0.31400   1.00000   0.01960
O5   0.00000   0.00000   0.31400   1.00000   0.00610
Wat6   0.33400   0.92100   0.89200   1.00000   0.03810
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
U1 0.01760 0.01210 0.02750 -0.00320 0.00000 0.00000
Sr1 0.02000 0.02000 0.07670 0.01000 0.00000 0.00000
Sr2 0.04350 0.04350 0.03150 0.02170 0.00000 0.00000