data_global
_chemical_name_mineral 'Metatorbernite'
loop_
_publ_author_name
'Stubbs J E'
'Post J E'
'Elbert D C'
'Heaney P J'
'Veblen D R'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1132
_journal_page_last 1140
_publ_section_title
;
 Uranyl phosphate sheet reconstruction during dehydration of
 metatorbernite [Cu(UO2)2(PO4)2*8H2O]
 Note: This is the 8.3 Angstrom phase while heating at 129 C
;
_database_code_amcsd 0016812
_chemical_compound_source 'Bois Noirs, France'
_chemical_formula_sum 'Cu.881 U2 P2 O18.124 H12.248'
_cell_length_a 6.95510
_cell_length_b 6.95510
_cell_length_c 16.6604
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 805.920
_exptl_crystal_density_diffrn      3.694
_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
Cu1   0.25000   0.25000   0.29990   0.88100   0.01350
U1   0.25000   0.25000   0.04955   1.00000   0.01350
U2   0.25000   0.25000   0.55328   1.00000   0.01350
P1   0.25000   0.75000   0.00000   1.00000   0.01330
P2   0.25000   0.75000   0.50000   1.00000   0.01330
O1   0.25000   0.25000   0.44850   1.00000   0.01000
O2   0.25000   0.25000   0.94000   1.00000   0.01000
O3   0.25000   0.25000   0.65880   1.00000   0.01000
O4   0.25000   0.25000   0.15190   1.00000   0.01000
O5   0.30400   0.90960   0.05790   1.00000   0.02200
O6   0.26600   0.93190   0.55150   1.00000   0.02200
Wat7   0.55900   0.17200   0.29890   0.69000   0.03000
Wat8   0.33960   0.45500   0.80590   0.84100   0.03000