data_global
_amcsd_formula_title 'Al0.67[(UO2)(PO4)]2(H2O)15.5'
loop_
_publ_author_name
'Locock A J'
'Kinman W S'
'Burns P C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 989
_journal_page_last 1003
_publ_section_title
;
 The structure and composition of uranospathite,
 Al1-xVacancyx[(UO2)(PO4)]2(H2O)20+3xF1-3x, x = 0 - 0.33,
 a non-centrosymmetric fluorine-bearing mineral of the autunite group,
 and of a related synthetic lower hydrate,
 Al0.67Vacancy0.33[(UO2)(PO4)]2(H2O)15.5
 Sample: AlUP
;
_database_code_amcsd 0006022
_chemical_formula_sum 'Al.67 U2 P2 O27.5'
_cell_length_a 7.0020
_cell_length_b 13.7120
_cell_length_c 14.0243
_cell_angle_alpha 78.418
_cell_angle_beta 89.676
_cell_angle_gamma 81.863
_cell_volume 1305.437
_exptl_crystal_density_diffrn      2.534
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Al1  -0.48630  -0.00950   0.25040   0.67000   0.04100
U1   0.23360   0.56390   0.36220   1.00000   0.01600
U2  -0.23280   0.43670   0.13790   1.00000   0.01300
P1  -0.24940   0.49930   0.37340   1.00000   0.02000
P2   0.24860   0.50140   0.12300   1.00000   0.01400
O1  -0.19310   0.43360   0.47450   1.00000   0.02700
O2   0.21000   0.57210   0.02280   1.00000   0.01500
O3   0.09810   0.42500   0.15500   1.00000   0.02600
O4  -0.43800   0.56810   0.37360   1.00000   0.03400
O5   0.26800   0.56060   0.20100   1.00000   0.02300
O6   0.44500   0.43390   0.12180   1.00000   0.01200
O7  -0.24840   0.42290   0.30310   1.00000   0.01700
O8  -0.08990   0.56230   0.35060   1.00000   0.01800
O9   0.27700   0.43060   0.38630   1.00000   0.02700
O10  -0.26320   0.57060   0.11060   1.00000   0.02400
O11   0.19780   0.69400   0.34200   1.00000   0.03000
O12  -0.19590   0.30030   0.16890   1.00000   0.02100
O13   0.42290   0.25050   0.05990   1.00000   0.02300
O14  -0.04210   0.75240   0.03270   1.00000   0.04600
O15   0.05550   0.24920   0.47750   1.00000   0.04400
O16  -0.22500   0.73280   0.22420   1.00000   0.09100
O17   0.21960   0.24560   0.29360   1.00000   0.02600
O18   0.39760   0.75290   0.11970   1.00000   0.05000
O19  -0.41700   0.23370   0.37810   1.00000   0.05300
O20  -0.02330   0.08370   0.10490   1.00000   0.04700
O21   0.38700   0.26100   0.55720   1.00000   0.09100
O22  -0.00500   0.05210   0.51080   0.50000   0.03700
O23  -0.35200   0.08430   0.16980   1.00000   0.09600
O24  -0.51500  -0.05110   0.12660   1.00000   0.09600
O25  -0.23900  -0.08680   0.24750   1.00000   0.09600
O26  -0.40400   0.04980   0.35760   1.00000   0.09600
O27  -0.58700  -0.11660   0.32780   1.00000   0.09600
O28  -0.72800   0.07270   0.22800   1.00000   0.09600
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 0.01200 0.02800 0.00900 -0.00400 0.00400 -0.00700
U2 0.01000 0.01600 0.01100 -0.00100 -0.00100 -0.00200
P1 0.01200 0.04200 0.00800 -0.00500 0.00100 -0.00900
P2 0.01200 0.01600 0.01200 -0.00100 0.00200 -0.00200