data_global
_chemical_name_mineral 'Uranophane - alpha'
loop_
_publ_author_name
'Barinova A V'
'Rastsvetaeva R K'
'Sidorenko G A'
'Pushcharovsky D Y'
_journal_name_full 'Doklady Chemistry'
_journal_volume 378 
_journal_year 2001
_journal_page_first 122
_journal_page_last 124
_publ_section_title
;
 Crystal structure of high-symmetry alpha-uranophane
;
_database_code_amcsd 0012507
_chemical_compound_source 'Strel'tsovskii ore field, Transbaikal region, Russia'
_chemical_formula_sum 'Ca U2 Si2 O17 H12'
_cell_length_a 6.670
_cell_length_b 15.92
_cell_length_c 6.985
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 97.3
_cell_volume 735.700
_exptl_crystal_density_diffrn      3.866
_symmetry_space_group_name_H-M 'P 1 1 21/b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Ca   0.27610   0.01870   0.18310   0.50000   0.01165
U   0.13370   0.75570   0.21740   1.00000   0.01229
Si   0.65950   0.71790   0.21940   1.00000   0.00988
O1   0.14000   0.86930   0.20200   1.00000   0.00633
O2   0.81100   0.73080   0.04100   1.00000   0.01140
O3   0.12400   0.64180   0.23600   1.00000   0.01013
O4   0.47200   0.77180   0.21400   1.00000   0.01140
O5   0.81700   0.24480   0.10800   1.00000   0.01393
O-H   0.57200   0.61440   0.22900   1.00000   0.02533
Wat1   0.00000   0.00000   0.00000   1.00000   0.06459
Wat2   0.21400   0.48930  -0.00300   1.00000   0.04306
Wat3   0.58700   0.93470   0.12920   1.00000   0.06966