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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525619.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1525619
loop_
_publ_author_name
'Bean, A.C.'
'Albrecht-Schmitt, T.E.'
_publ_section_title
;
 Cation effects on the formation of the one-dimensional uranyl iodates A2
 ((U O2)3 (I O3)4 O2) (A = K, rb, Tl) and AE ((U O2)2 (I O3)2 O2) (H2 O)
 (AE = Sr, Ba, Pb)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              416
_journal_page_last               423
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'H2 I2 O13 Pb U2'
_chemical_name_systematic        'Pb ((U O2)2 (I O3)2 O2) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.062
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8441
_cell_length_b                   6.9328
_cell_length_c                   21.34
_cell_volume                     1146.018
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bean_JSSCBI_2001_1707.cif
_cod_data_source_block           H2I2O13Pb1U2
_cod_original_formula_sum        'H2 I2 O13 Pb1 U2'
_cod_database_code               1525619
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O7 O-2 0.6194 0.3519 0.9066 1 0.0
O4 O-2 0.3866 0.6919 0.8897 1 0.0
O5 O-2 0.4112 0.0489 0.934 1 0.0
O2 O-2 0.2187 0.0671 0.0346 1 0.0
O10 O-2 0.7382 0.3266 0.7635 1 0.0
U2 U+6 0.5214 0.304 0.7195 1 0.0
O9 O-2 0.4576 0.1184 0.8063 1 0.0
Pb1 Pb+2 0.8743 0.1183 0.8651 1 0.0
O8 O-2 0.1594 0.3002 0.8519 1 0.0
U1 U+6 0.391 0.329 0.8764 1 0.0
I1 I+5 0.1637 0.3205 0.0302 1 0.0
O12 O-2 0.4151 0.4886 0.7901 1 0.0
I2 I+5 0.3013 0.829 0.9508 1 0.0
O1 O-2 0.3138 0.411 0.9802 1 0.0
O6 O-2 0.088 0.8612 0.9074 1 0.0
O3 O-2 -0.0317 0.3183 0.972 1 0.0
O13 O-2 0.9734 0.0094 0.7658 1 0.0
O11 O-2 0.3058 0.29 0.6731 1 0.0
