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#$Date: 2015-07-13 21:56:45 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150790 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528497.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_1528497
loop_
_publ_author_name
'Forbes, T.Z.'
'Burns, P.C.'
_publ_section_title
;
 The role of cation-cation interactions in a neptunyl chloride hydrate and
 topological aspects of neptunyl structural units
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              106
_journal_page_last               112
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'Cl7 H8 K4 Np3 O10'
_chemical_name_systematic        'K4 (Np O2)3 Cl7 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.855
_cell_angle_beta                 69.604
_cell_angle_gamma                74.432
_cell_formula_units_Z            2
_cell_length_a                   8.8822
_cell_length_b                   12.0817
_cell_length_c                   12.4026
_cell_volume                     1125.981
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Forbes_JSSCBI_2007_1221.cif
_cod_data_source_block           H8Cl7K4Np3O10
_cod_chemical_formula_sum_orig   'H8 Cl7 K4 Np3 O10'
_cod_database_code               1528497
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O6 O-2 0.5508 0.2547 0.6817 1 0.0
H7 H+1 0.187 0.443 0.612 1 0.0
Cl4 Cl-1 0.342 0.5593 0.1294 1 0.0
O5 O-2 0.2181 0.3236 0.3441 1 0.0
Cl7 Cl-1 -0.0701 0.2625 0.6088 1 0.0
K2 K+1 0.5505 0.2825 0.147 1 0.0
O2 O-2 0.2513 0.181 0.8927 1 0.0
K1 K+1 0.0526 0.7803 0.1298 1 0.0
Np2 Np+5 0.2682 0.247 0.49267 1 0.0
Np1 Np+5 0.40082 0.07214 0.83213 1 0.0
K4 K+1 0.1142 0.0614 0.2499 1 0.0
H5 H+1 0.526 0.207 0.361 1 0.0
O1 O-2 0.2479 0.3197 0.1041 1 0.0
H6 H+1 0.019 0.309 0.315 1 0.0
Cl2 Cl-1 0.3681 -0.1056 1.0747 1 0.0
H4 H+1 0.099 0.441 0.505 1 0.0
Cl1 Cl-1 -0.1237 0.3907 0.0733 1 0.0
O9 O-2 0.5084 0.1246 0.3891 1 0.0
H1 H+1 0.659 0.246 0.687 1 0.0
O3 O-2 -0.0513 0.538 0.233 1 0.0
Np3 Np+5 0.10075 0.42875 0.16945 1 0.0
O4 O-2 0.554 -0.0368 0.7701 1 0.0
K3 K+1 0.6417 0.60441 0.1671 1 0.0
Cl6 Cl-1 0.5522 0.3595 0.3981 1 0.0
Cl5 Cl-1 0.1847 0.0308 0.5122 1 0.0
O7 O-2 -0.0618 0.2589 0.3347 1 0.0
O8 O-2 0.3182 0.1735 0.6398 1 0.0
Cl3 Cl-1 0.1574 -0.0519 0.8595 1 0.0
H2 H+1 -0.171 0.282 0.379 1 0.0
O10 O-2 0.186 0.4443 0.5312 1 0.0
H8 H+1 0.543 0.282 0.6 1 0.0
H3 H+1 0.48 0.049 0.401 1 0.0