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: natural sample
;
_database_code_amcsd 0005845
_chemical_compound_source 'Clara barite and fluorite mine, Black Forest, Germany'
_chemical_formula_sum 'U Bi O5 H'
_cell_length_a 7.559
_cell_length_b 7.811
_cell_length_c 7.693
_cell_angle_alpha 90
_cell_angle_beta 92.88
_cell_angle_gamma 90
_cell_volume 453.647
_exptl_crystal_density_diffrn      7.731
_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   0.15866   0.99182   0.31567   0.01350
Bi   0.11052   0.60575   0.66482   0.01620
O1   0.17700   0.60240   0.05000   0.02500
O2  -0.00770   0.88420   0.17860   0.02600
O3   0.07100   0.85110   0.55860   0.02300
O4  -0.14600   0.50690   0.59070   0.01900
O-H5  -0.11960   0.74220   0.84130   0.01700
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 0.01390 0.01690 0.01000 0.00000 0.00500 -0.00020
Bi 0.01640 0.01970 0.01290 0.00040 0.00360 0.00010
O1 0.02700 0.02900 0.01900 0.00100 0.00100 -0.00100
O2 0.01900 0.03700 0.02100 -0.00200 0.00200 -0.01100
O3 0.02800 0.02100 0.02000 0.00800 0.01400 0.00700
O4 0.01400 0.02200 0.02200 -0.00400 0.00800 -0.00800
O-H5 0.02300 0.01600 0.01100 0.00100 0.00500 0.00100