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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/47/1534717.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_1534717
loop_
_publ_author_name
'Grigor'ev, M.S.'
'Fedoseev, A.M.'
'Budantseva, N.A.'
'Krot, N.N.'
'Yanovskii, A.I.'
'Struchkov, Yu.T.'
_publ_section_title
;
 Synthesis, crystal and molecular structure of complex neptunium(V)
 sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3)
;
_journal_name_full               Radiokhimiya
_journal_page_first              54
_journal_page_last               60
_journal_volume                  33
_journal_year                    1991
_chemical_formula_sum            'Co Np O3 S2'
_chemical_name_systematic        '(Co (N H3)6) (Np O2 (S O4)2) (H2 O)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.48
_cell_length_b                   7.143
_cell_length_c                   12.515
_cell_volume                     1562.618
_citation_journal_id_ASTM        RADKAU
_cod_data_source_file            Grigorev_RADKAU_1991_1241.cif
_cod_data_source_block           Co1Np1O3S2
_cod_original_formula_sum        'Co1 Np1 O3 S2'
_cod_database_code               1534717
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
O2 O-2 0.5364 0.25 0.251 1 0.0
Co1 Co+3 0.3144 0.25 0.7235 1 0.0
O1 O-2 0.3612 0.25 0.4094 1 0.0
Np1 Np+5 0.44855 0.25 0.32796 1 0.0
O3 O-2 0.12 0.25 0.436 1 0.0
S2 S+6 0.3395 0.25 0.1279 1 0.0
S1 S+6 0.5591 0.25 0.5896 1 0.0
