data_global
_chemical_name_mineral 'Ianthinite'
loop_
_publ_author_name
'Burns P C'
'Finch R J'
'Hawthorne F C'
'Miller M L'
'Ewing R C'
_journal_name_full 'Journal of Nuclear Materials'
_journal_volume 249 
_journal_year 1997
_journal_page_first 199
_journal_page_last 206
_publ_section_title
;
 The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible
 phase for Pu4+ incorporation during the oxidation of spent nuclear fuel
;
_database_code_amcsd 0013139
_chemical_compound_source 'Shinkolobwe mine, Shaba, southern Congo'
_chemical_formula_sum 'U6 O27 H22'
_cell_length_a 7.178
_cell_length_b 11.473
_cell_length_c 30.39
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2502.713
_exptl_crystal_density_diffrn      4.996
_symmetry_space_group_name_H-M 'P 21 c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+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   0.00000   0.05900   0.00570   1.00000   0.04270
U2   0.01200  -0.24900  -0.01170   1.00000   0.07320
U3   0.01300  -0.55800   0.00770   1.00000   0.05520
U4   0.00800  -0.49600   0.23970   1.00000   0.00500
U5   0.00500   0.81400   0.25670   1.00000   0.00400
U6   0.01300   0.19290   0.25570   1.00000   0.00110
O1   0.08300   0.04300   0.06100   1.00000   0.00500
O2  -0.01600   0.06000  -0.05400   1.00000   0.00500
O3   0.00000  -0.52200   0.06500   1.00000   0.00500
O4   0.00800  -0.59300  -0.05000   1.00000   0.00500
O5   0.01300   0.76400   0.31300   1.00000   0.00500
O6   0.00200   0.85700   0.20000   1.00000   0.00500
O7   0.00400   0.21800   0.31400   1.00000   0.00500
O8   0.00800   0.13300   0.20100   1.00000   0.00500
O9  -0.16900  -0.11100  -0.00400   1.00000   0.00500
O10  -0.16600  -0.42000  -0.02000   1.00000   0.00500
O11   0.18600  -0.36600   0.24000   1.00000   0.00500
O12   0.83700  -0.35800   0.24100   1.00000   0.00500
O13   0.82200  -0.63300   0.24400   1.00000   0.00500
O14   0.20100  -0.63400   0.23800   1.00000   0.00500
O-Hl   0.19800  -0.12800  -0.04600   1.00000   0.00670
O-H2   0.00900   0.23400   0.03400   1.00000   0.00670
O-H3   0.21300  -0.37700  -0.04000   1.00000   0.00670
O-H4   0.05700  -0.01300   0.28500   1.00000   0.00670
Wat1   0.02500  -0.26200  -0.09500   1.00000   0.01420
Wat2   0.01400  -0.51900   0.16300   1.00000   0.01420
Wat3  -0.00100  -0.52000   0.31700   1.00000   0.01420
Wat4   0.01300  -0.23600   0.06600   1.00000   0.01420
Wat5   0.80100   0.91000   0.12600   1.00000   0.01420
Wat6   0.22600   0.89000   0.14100   1.00000   0.01420
Wat7   0.73200   0.09000   0.12100   1.00000   0.01420
Wat8   0.29100   0.12000   0.13400   1.00000   0.01420
Wat9a   0.67000   0.46900   0.13000   0.33333   0.01000
Wat9b   0.85800  -0.47000  -0.12800   0.33333   0.01000
Wat9c   0.00600  -0.59800   0.13000   0.33333   0.01000