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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/1/53/52/1535294.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_1535294
loop_
_publ_author_name
'Sykora, R.E.'
'Bean, A.C.'
'Albrecht-Schmitt, T.E.'
'Scott, B.L.'
'Runde, W.'
_publ_section_title
;
 New one-dimensional uranyl and neptunyl iodates: crystal structures of K3
 ((U O2)2 (I O3)6) (I O3) . (H2 O) and K (Np O2 (I O3)3) . 1.5(H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              725
_journal_page_last               730
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'H3 I3 K Np O12.5'
_chemical_name_systematic        'K ((Np O2) (I O3)3) (H2 O)1.5'
_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                 97.399
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.796
_cell_length_b                   7.151
_cell_length_c                   21.785
_cell_volume                     1204.384
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Sykora_JSSCBI_2004_1099.cif
_cod_data_source_block           H3I3K1Np1O12.5
_cod_original_formula_sum        'H3 I3 K1 Np1 O12.5'
_cod_database_code               1535294
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
O4 O-2 0.3153 -0.599 0.4805 1 0.0
O11 O-2 0.1766 -0.666 0.3527 1 0.0
O9 O-2 0.465 -0.507 0.2962 1 0.0
O13 O-2 0.12 -0.268 0.2618 0.5 0.0
O12 O-2 -0.183 -0.534 0.2897 0.5 0.0
O1 O-2 0.402 -0.326 0.3947 1 0.0
I4 I+5 0.5061 -1.117 0.28071 0.5 0.0
O8 O-2 0.2791 -0.697 0.1888 1 0.0
O2 O-2 0.0855 -0.173 0.4043 1 0.0
I3 I+5 0.4905 -0.746 0.22602 0.5 0.0
O3 O-2 0.385 0.038 0.4189 1 0.0
O5 O-2 0.2143 -0.933 0.5279 1 0.0
O6 O-2 -0.0333 -0.6828 0.4734 1 0.0
O7 O-2 0.485 -0.86 0.3054 1 0.0
K1 K+1 -0.1269 -0.8748 0.3664 1 0.0
I2 I+5 0.15811 -0.69064 0.52832 1 0.0
I1 I+5 0.29627 -0.17464 0.44594 1 0.0
O14 O-2 0.008 -0.402 0.2607 0.5 0.0
O10 O-2 0.6156 -0.657 0.4141 1 0.0
Np1 Np+6 0.39647 -0.65951 0.38405 1 0.0
