data_global
_chemical_name_mineral 'Uranophane - alpha'
loop_
_publ_author_name
'Stohl F V'
'Smith D K'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 610
_journal_page_last 625
_publ_section_title
;
 The crystal chemistry of the uranyl silicate minerals
 Note: signs of y and z are changed for many of the atoms
;
_database_code_amcsd 0000837
_chemical_compound_source 'Shinkolobwe, Katanga'
_chemical_formula_sum 'U2 Si2 O16 Ca H8'
_cell_length_a 15.858
_cell_length_b 6.985
_cell_length_c 6.641
_cell_angle_alpha 90
_cell_angle_beta 97.55
_cell_angle_gamma 90
_cell_volume 729.234
_exptl_crystal_density_diffrn      3.809
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
U1   0.25570   0.78220   0.13440   0.01013
U2  -0.25570   0.78220   0.13440   0.01013
Si1   0.28400   0.28100   0.33900   0.01013
Si2  -0.28400   0.28100   0.33900   0.01013
O1   0.37100   0.79500   0.13800   0.03420
O2  -0.37100   0.79500   0.13800   0.03420
O3   0.14300   0.75700   0.12300   0.01646
O4  -0.14300   0.75700   0.12300   0.01646
O5   0.27100   0.45300   0.18700   0.02660
O6  -0.27100   0.45300   0.18700   0.02660
O7   0.25800   0.09500   0.18100   0.02660
O8  -0.25800   0.09500   0.18100   0.02660
O9   0.22900   0.29200   0.52300   0.01267
O10  -0.22900   0.29200   0.52300   0.01267
O11   0.38100   0.27200   0.43200   0.02786
O12  -0.38100   0.27200   0.43200   0.02786
Wat1   0.06900   0.34500   0.35900   0.04559
Wat2   0.99100   0.01000   0.19600   0.01393
Wat3   0.93600   0.61000   0.55800   0.03673
Wat4   0.99300   0.50700   0.94500   0.03293
Ca   0.01900   0.67200   0.28000   0.03673