data_global
_chemical_name_mineral 'Behounekite'
loop_
_publ_author_name
'Plasil J'
'Fejfarova K'
'Novak M'
'Dusek M'
'Skoda R'
'Hlousek J'
'Cejka J'
'Majzlan J'
'Sejkora J'
'Machovic V'
'Talla D'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 75 
_journal_year 2011
_journal_page_first 2739
_journal_page_last 2753
_publ_section_title
;
 Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic:
 the first natural U4+ sulphate
;
_database_code_amcsd 0018561
_chemical_compound_source 'Jachymov, Czech Republic'
_chemical_formula_sum 'U S2 O12 H8'
_cell_length_a 14.6464
_cell_length_b 11.0786
_cell_length_c 5.6910
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 923.431
_exptl_crystal_density_diffrn      3.612
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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   0.82892   0.75000   0.12581   0.00960
S   0.85080   0.44510   0.38560   0.00940
O1   0.97600   0.75000   0.30800   0.02000
O2   0.92440   0.62470   0.11040   0.02100
O3   0.83230   0.57570   0.35200   0.01900
O4   0.90650   0.42970   0.59430   0.01700
O5   0.76110   0.38390   0.41650   0.01800
O6   0.89490   0.39680   0.17510   0.01900
O7   0.70330   0.75000   0.38370   0.02100
H1   0.70100   0.68960   0.46700   0.02528
H2   0.91200   0.56800   0.19900   0.02526
H3   0.97700   0.64400   0.13000   0.02526
H5   1.00500   0.68920   0.34700   0.02362
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 0.01010 0.00750 0.01110 0.00000 0.00037 0.00000
S 0.00800 0.00700 0.01320 0.00030 0.00080 0.00010
O1 0.01400 0.01100 0.03400 0.00000 0.01500 0.00000
O2 0.01200 0.01800 0.03300 0.00300 0.00590 0.01290
O3 0.02500 0.01000 0.02100 0.00190 0.00110 0.00020
O4 0.02200 0.01000 0.01900 0.00220 0.00940 0.00100
O5 0.01400 0.02000 0.01900 0.01000 0.00590 0.00350
O6 0.01400 0.02100 0.02300 0.00260 0.00900 0.01120
O7 0.02200 0.01500 0.02600 0.00000 0.01800 0.00000