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 8.7 Angstrom phase while heating at 31.5 C
;
_database_code_amcsd 0016811
_chemical_compound_source 'Bois Noirs, France'
_chemical_formula_sum 'Cu U2 P2 O20 H16'
_cell_length_a 6.96519
_cell_length_b 6.96519
_cell_length_c 17.3102
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 839.785
_exptl_crystal_density_diffrn      3.708
_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_U_iso_or_equiv
Cu   0.25000   0.25000   0.30920   0.00720
U1   0.25000   0.25000   0.05242   0.00830
U2   0.25000   0.25000   0.55092   0.00830
P1   0.25000   0.75000   0.00000   0.01380
P2   0.25000   0.75000   0.50000   0.01380
O1   0.25000   0.25000   0.44740   0.01000
O2   0.25000   0.25000   0.94840   0.01000
O3   0.25000   0.25000   0.65210   0.01000
O4   0.25000   0.25000   0.15420   0.01000
O5   0.29900   0.90830   0.05710   0.01000
O6   0.21500   0.93040   0.54820   0.01000
Wat7   0.52800   0.27970   0.31470   0.01000
Wat8   0.33920   0.51490   0.80480   0.01000