data_global
_chemical_name_mineral 'Hallimondite'
loop_
_publ_author_name
'Locock A J'
'Burns P C'
'Flynn T M'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 240
_journal_page_last 246
_publ_section_title
;
 The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n
 and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0 < n < 0.5
;
_database_code_amcsd 0003720
_chemical_formula_sum 'U Pb2 As2 O10.29 H.58'
_cell_length_a 7.1153
_cell_length_b 10.4780
_cell_length_c 6.8571
_cell_angle_alpha 101.178
_cell_angle_beta 95.711
_cell_angle_gamma 86.651
_cell_volume 498.637
_exptl_crystal_density_diffrn      6.444
_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
U1   0.61860   0.84000   0.09880   1.00000   0.01000
Pb1   0.30900   0.54160   0.27850   1.00000   0.01600
Pb2   0.04510   0.77760   0.71700   1.00000   0.01800
As1   0.53650   0.81670   0.62060   1.00000   0.00900
As2   0.82380   0.54940   0.27630   1.00000   0.01000
O1   0.00220   0.63400   0.41550   1.00000   0.01800
O2   0.34860   0.47380   0.58510   1.00000   0.01400
O3   0.38590   0.78400   0.07310   1.00000   0.02100
O4   0.68110   0.72880   0.76230   1.00000   0.01500
O5   0.71490   0.62980   0.10570   1.00000   0.02000
O6   0.33230   0.74770   0.53460   1.00000   0.01700
O7   0.50180   0.05400   0.19270   1.00000   0.01900
O8   0.85040   0.89780   0.11440   1.00000   0.02100
O9   0.65240   0.85620   0.44290   1.00000   0.01900
O10   0.92300   0.40990   0.15820   1.00000   0.02100
Wat11   0.05000   0.97200   0.47400   0.29000   0.07300
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 0.01600 0.00700 0.00800 0.00100 0.00300 0.00100
Pb1 0.01800 0.01900 0.01200 -0.00100 0.00300 0.00200
Pb2 0.02100 0.01200 0.02200 0.00100 0.00600 0.00000
As1 0.01300 0.00700 0.00700 0.00000 0.00200 0.00000
As2 0.01100 0.00900 0.00900 0.00100 0.00100 0.00200
O1 0.01200 0.02200 0.01800 -0.00500 -0.00200 0.00000
O2 0.01300 0.01900 0.01300 0.00000 0.00500 0.00700
O3 0.01900 0.02500 0.01900 -0.00400 0.00200 0.00500
O4 0.02200 0.01500 0.00700 0.00300 0.00000 0.00200
O5 0.03400 0.01100 0.01300 0.00600 -0.00100 0.00400
O6 0.01400 0.01700 0.01700 -0.00400 0.00200 -0.00300
O7 0.04000 0.00900 0.00800 0.00800 0.00200 0.00100
O8 0.02200 0.02200 0.02100 -0.00900 0.00500 0.00200
O9 0.02200 0.02300 0.01300 -0.00200 0.00400 0.00500
O10 0.02900 0.01400 0.01900 0.00900 0.00900 0.00200