data_global
_chemical_name_mineral 'Uranosphaerite'
loop_
_publ_author_name
'Hughes K A'
'Burns P C'
'Kolitsch U'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 677
_journal_page_last 685
_publ_section_title
;
 Crystal structure and crystal chemistry of uranosphaerite, Bi(UO2)O2OH
 Note: synthetic sample
;
_database_code_amcsd 0005846
_chemical_formula_sum 'U Bi O5 H'
_cell_length_a 7.540
_cell_length_b 7.801
_cell_length_c 7.674
_cell_angle_alpha 90
_cell_angle_beta 92.948
_cell_angle_gamma 90
_cell_volume 450.784
_exptl_crystal_density_diffrn      7.780
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-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
U   0.15796  -0.00914   0.31531   0.02150
Bi   0.10974   0.60517   0.66556   0.02310
O(1)   0.18400   0.60300   0.05000   0.03200
O(2)  -0.00800   0.88300   0.17900   0.03200
O(3)   0.07000   0.85000   0.56300   0.02700
O(4)  -0.15000   0.50700   0.59000   0.03000
O-H(5)  -0.11900   0.74100   0.84000   0.02600
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
U 0.02110 0.02340 0.02040 -0.00030 0.00520 -0.00020
Bi 0.02280 0.02450 0.02230 0.00040 0.00450 0.00040
O(1) 0.03400 0.03900 0.02500 0.00500 0.00100 0.00700
O(2) 0.02900 0.04000 0.02800 0.00400 0.00100 -0.00400
O(3) 0.02900 0.02000 0.03200 0.00100 0.01400 0.00500
O(4) 0.02600 0.03800 0.02800 -0.01300 0.00900 -0.01100
O-H(5) 0.03100 0.02900 0.01800 -0.00200 0.00400 0.00000