data_global
_chemical_name_mineral 'Metatorbernite'
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 0005832
_chemical_formula_sum 'U2 Cu.883 P2 O20 H16'
_cell_length_a 6.9756
_cell_length_b 6.9756
_cell_length_c 17.349
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 844.185
_exptl_crystal_density_diffrn      3.660
_symmetry_space_group_name_H-M 'P 4/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-y,1/2+x,-z'
  'y,1/2-x,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
U1   0.25000   0.25000   0.05170   1.00000   0.01100
U2   0.25000   0.25000   0.55130   1.00000   0.00900
Cu   0.25000   0.25000   0.31120   0.88300   0.01600
P1   0.25000   0.75000   0.00000   1.00000   0.01000
P2   0.25000   0.75000   0.50000   1.00000   0.01000
O1   0.25000   0.25000   0.44900   1.00000   0.01900
O2   0.25000   0.25000  -0.05030   1.00000   0.02100
O3   0.25000   0.25000   0.65390   1.00000   0.02400
O4   0.25000   0.25000   0.15640   1.00000   0.02300
O5   0.28730   0.92330   0.05220   1.00000   0.01600
O6   0.20550   0.92210   0.55190   1.00000   0.01800
OW7   0.52660   0.28340   0.31040   1.00000   0.03000
OW8   0.34560   0.51530  -0.19170   1.00000   0.03100
H1   0.36300   0.59100  -0.14700   1.00000   0.05000
H2   0.58100   0.38400   0.34000   1.00000   0.05000
H3   0.56800   0.37400   0.27300   1.00000   0.05000
H4   0.22400   0.45300  -0.18600   1.00000   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
U1 0.01000 0.01000 0.01300 0.00000 0.00000 0.00000
U2 0.00900 0.00900 0.01100 0.00000 0.00000 0.00000
Cu 0.01700 0.01700 0.01500 0.00000 0.00000 0.00000
P1 0.00900 0.00900 0.01300 0.00000 0.00000 0.00000
P2 0.00900 0.00900 0.01300 0.00000 0.00000 0.00000
O1 0.02000 0.02000 0.01800 0.00000 0.00000 0.00000
O2 0.02800 0.02800 0.00800 0.00000 0.00000 0.00000
O3 0.02500 0.02500 0.02100 0.00000 0.00000 0.00000
O4 0.02900 0.02900 0.01200 0.00000 0.00000 0.00000
O5 0.01500 0.01100 0.02400 -0.00300 -0.00300 -0.00200
O6 0.02400 0.01100 0.01900 0.00200 0.00300 -0.00300
OW7 0.02200 0.04500 0.02300 -0.00600 0.00100 0.00300
OW8 0.03700 0.03200 0.02500 -0.01200 0.00500 -0.00800