data_global
_chemical_name_mineral 'Torbernite'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 489
_journal_page_last 502
_publ_section_title
;
 Crystal structures and synthesis of the copper-dominant members of the autunite
 and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite
;
_database_code_amcsd 0005830
_chemical_formula_sum 'U2 P2 Cu O24 H24'
_cell_length_a 7.0267
_cell_length_b 7.0267
_cell_length_c 20.807
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1027.335
_exptl_crystal_density_diffrn      3.264
_symmetry_space_group_name_H-M 'P 4/n n c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,x,1/2-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  '1/2+x,-y,1/2+z'
  '1/2-x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2-z'
  '-y,1/2+x,-z'
  'y,1/2-x,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_U_iso_or_equiv
U   0.25000   0.25000   0.45840   0.01000
P   0.25000  -0.25000   0.50000   0.01100
Cu   0.25000   0.25000   0.25000   0.02200
O1   0.25000   0.25000   0.37280   0.01700
O2   0.25000   0.25000   0.54290   0.02100
OW3   0.25000  -0.02220   0.25000   0.03600
O4   0.21940  -0.07620   0.45650   0.01600
OW5   0.02050  -0.16670   0.33910   0.02500
H1  -0.06700  -0.10300   0.31300   0.05000
H2   0.05400  -0.14300   0.38100   0.05000
H3   0.18500  -0.10700   0.27800   0.05000
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 0.00900 0.00900 0.01300 0.00000 0.00000 0.00000
P 0.00800 0.00800 0.01600 0.00000 0.00000 0.00000
Cu 0.01800 0.01800 0.02800 0.00000 0.00000 0.00000
O1 0.01900 0.01900 0.01200 0.00000 0.00000 0.00000
O2 0.02400 0.02400 0.01700 0.00000 0.00000 0.00000
OW3 0.04900 0.02000 0.04000 0.00000 0.02100 0.00000
O4 0.01600 0.00900 0.02200 0.00100 -0.00300 0.00200
OW5 0.02700 0.02600 0.02300 -0.00200 0.00200 0.00300