data_global
_chemical_name_mineral 'Stepite'
loop_
_publ_author_name
'Plasil J'
'Fejfarova K'
'Hlousek J'
'Skoda R'
'Novak M'
'Sejkora J'
'Cejka J'
'Dusek M'
'Veselovsky F'
'Ondrus P'
'Majzlan J'
'Mrazek Z'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 137
_journal_page_last 152
_publ_section_title
;
 Stepite, U(AsO3OH)2*4H2O, from Jachymov, Czech Republic:
 the first natural arsenate of tetravalent uranium
;
_database_code_amcsd 0019793
_chemical_compound_source 'Jachymov, Czech Republic'
_chemical_formula_sum 'U As2 (O12 H10)'
_cell_length_a 10.9867
_cell_length_b 10.9867
_cell_length_c 32.9271
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3974.551
_exptl_crystal_density_diffrn      3.944
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,1/2-x,3/4+z'
  '1/2-y,-x,1/4+z'
  '1/2+y,1/2+x,-z'
  '+y,+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '+y,-x,-z'
  '-y,1/2+x,1/4+z'
  '1/2-y,+x,3/4+z'
  '1/2+x,1/2-y,z'
  '+x,-y,1/2+z'
  '1/2-x,y,1/4-z'
  '-x,1/2+y,3/4-z'
  '1/2+x,y,3/4-z'
  '+x,1/2+y,1/4-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2+y,x,1/4+z'
  '+y,1/2+x,3/4+z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,-x,3/4+z'
  '+y,1/2-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2-y,3/4-z'
  '1/2+x,-y,1/4-z'
  '-x,1/2-y,1/4-z'
  '1/2-x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U   0.16022   0.66022   0.00000   0.01110
As   0.35936   0.87363   0.05741   0.00900
Wat1   0.75000   0.85720   0.12500   0.02300
O-H2   0.39290   0.83340   0.10620   0.02500
Wat3   0.50000   0.50000   0.08700   0.03100
O4   0.47160   0.82370   0.02750   0.01900
O5   0.34690   1.02270   0.05860   0.01300
O6   0.23050   0.80370   0.04520   0.01300
Wat7   0.08410   0.86490  -0.02040   0.01600
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 0.00990 0.00990 0.01340 -0.00010 -0.00001 0.00001
As 0.00880 0.00830 0.00990 -0.00200 -0.00110 0.00080
Wat1 0.04000 0.01200 0.01500 0.00000 -0.00600 0.00000
O-H2 0.03000 0.02600 0.01800 -0.01500 -0.00600 0.00800
Wat3 0.03800 0.03800 0.01800 -0.00100 0.00000 0.00000
O4 0.01300 0.01700 0.02800 -0.00200 0.00800 -0.00300
O5 0.01900 0.01100 0.01000 0.00000 -0.00100 0.00200
O6 0.01200 0.01300 0.01500 0.00100 0.00300 0.00100
Wat7 0.01600 0.01000 0.02100 -0.00100 -0.00600 -0.00100