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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/1/52/97/1529705.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_1529705
loop_
_publ_author_name
'Bullock, J.I.'
'Ladd, M.F.C.'
'Povey, D.C.'
'Storey, A.E.'
_publ_section_title
;
 The chemistry of the trivalent actinoids. Part 7(1). Crystal structure
 analysis of (N H4) U (S O4)2 (H2 O)4 and comments on the structure of U2
 (S O4)3 (H2 O)9
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              101
_journal_page_last               108
_journal_volume                  43
_journal_year                    1980
_chemical_formula_sum            'H12 N O12 S2 U'
_chemical_name_systematic        '(N H4) U (S O4)2 (H2 O)4'
_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                 97.337
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7065
_cell_length_b                   19.0328
_cell_length_c                   8.8305
_cell_volume                     1117.927
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Bullock_ICHAA3_1980_573.cif
_cod_data_source_block           H12N1O12S2U1
_cod_original_formula_sum        'H12 N1 O12 S2 U1'
_cod_database_code               1529705
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
U1 U+3 0.3532 0.1212 0.2161 1 0.0
O11 O-2 0.3255 0.0542 0.465 1 0.0
O9 O-2 0.2552 0.1069 -0.0713 1 0.0
O10 O-2 0.3181 -0.0066 0.1704 1 0.0
S1 S+6 0.8198 0.076 0.2379 1 0.0
O12 O-2 0.8591 0.3884 0.1658 1 0.0
O4 O-2 0.9982 0.1192 0.2097 1 0.0
S2 S+6 0.3801 0.2771 0.0895 1 0.0
O2 O-2 0.659 0.082 0.0992 1 0.0
O1 O-2 0.8743 0.0044 0.2637 1 0.0
O3 O-2 0.7141 0.1104 0.3598 1 0.0
O6 O-2 0.3751 0.2952 0.927 1 0.0
O8 O-2 0.4051 0.3403 0.185 1 0.0
N1 N-3 0.8461 0.2771 0.3903 1 0.0
O7 O-2 0.552 0.2274 0.1266 1 0.0
O5 O-2 0.1982 0.2385 0.1178 1 0.0
