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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/1/52/57/1525764.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_1525764
loop_
_publ_author_name
'Charushnikova, I.A.'
'Krot, N.N.'
'Starikova, Z.A.'
_publ_section_title
;
 Synthesis, crystal structure and characteristics of double cesium
 neptunium(IV) sulfate
;
_journal_name_full               Radiokhimiya
_journal_page_first              40
_journal_page_last               44
_journal_volume                  42
_journal_year                    2000
_chemical_formula_sum            'Cs2 H4 Np O14 S3'
_chemical_name_systematic        'Cs2 Np (S O4)3 (H2 O)2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.56
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4334
_cell_length_b                   9.522
_cell_length_c                   11.111
_cell_volume                     679.968
_citation_journal_id_ASTM        RADKAU
_cod_data_source_file            Charushnikova_RADKAU_2000_512.cif
_cod_data_source_block           H4Cs2Np1O14S3
_cod_original_cell_volume        679.9677
_cod_original_formula_sum        'H4 Cs2 Np1 O14 S3'
_cod_database_code               1525764
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-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
S2 S+6 0.5759 0.8919 0.0678 1 0.0
Cs1 Cs+1 0.1404 0.3567 0.5454 1 0.0
Cs2 Cs+1 0.0075 0.6018 0.1082 1 0.0
O7 O-2 0.3773 0.838 0.0162 1 0.0
O8 O-2 0.7292 0.8527 0.9749 1 0.0
O14 O-2 0.7231 0.3191 0.6799 1 0.0
O2 O-2 0.5323 0.0762 0.5861 1 0.0
O13 O-2 0.5084 0.5772 0.6605 1 0.0
O6 O-2 0.633 0.8302 0.1827 1 0.0
O10 O-2 0.1414 0.746 0.8258 1 0.0
O11 O-2 0.0079 0.6267 0.6485 1 0.0
O12 O-2 0.827 0.6112 0.8387 1 0.0
O3 O-2 0.3979 0.8424 0.6235 1 0.0
O9 O-2 0.8181 0.8233 0.7304 1 0.0
S1 S+6 0.385 0.9955 0.655 1 0.0
S3 S+6 -0.0462 0.6986 0.7575 1 0.0
Np1 Np+4 0.5033 0.7514 0.8195 1 0.0
O4 O-2 0.4521 0.9946 0.7877 1 0.0
O1 O-2 0.1754 0.0475 0.6408 1 0.0
O5 O-2 0.5657 0.0465 0.0752 1 0.0
