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 6.9 Angstrom phase while heating at 173 C
;
_database_code_amcsd 0016813
_chemical_compound_source 'Bois Noirs, France'
_chemical_formula_sum 'Cu.93 U2 P2 O15 H6'
_cell_length_a 14.4979
_cell_length_b 7.0159
_cell_length_c 6.6312
_cell_angle_alpha 90
_cell_angle_beta 107.585
_cell_angle_gamma 90
_cell_volume 642.979
_exptl_crystal_density_diffrn      4.355
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+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   0.23240   0.47500   0.52700   0.93000   0.00800
U1   0.01880   0.78940   0.15410   1.00000   0.01140
U2   0.49420   0.21920   0.83750   1.00000   0.01140
P1   0.05590   0.29930   0.34910   1.00000   0.02700
P2   0.49180   0.70130   0.63560   1.00000   0.02700
O1   0.14610   0.84400   0.22700   1.00000   0.01000
O2   0.36270   0.24500   0.77400   1.00000   0.01000
O3  -0.10810   0.73000   0.08600   1.00000   0.01000
O4   0.62340   0.20600   0.88900   1.00000   0.01000
O5   0.05420   0.46900   0.20200   1.00000   0.01000
O6   0.51890   0.53900   0.80100   1.00000   0.01000
O7   0.01300   0.12500   0.20200   1.00000   0.01000
O8   0.50600   0.88400   0.77300   1.00000   0.01000
O9  -0.01100   0.33900   0.49100   1.00000   0.01000
O10   0.56540   0.70300   0.51900   1.00000   0.01000
O11   0.15960   0.25000   0.47200   1.00000   0.01000
O12   0.38440   0.68900   0.49700   1.00000   0.01000
Wat13   0.74900  -0.04100   0.04200   1.00000   0.01000
Wat14   0.70100  -0.19100   0.72400   1.00000   0.01000
Wat15   0.73100   0.49900   0.79200   1.00000   0.01000