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#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/22/1532235.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_1532235
loop_
_publ_author_name
'Wang, Junhu'
'Kitazawa, Takafumi'
'Nakada, Masami'
'Yamashita, Toshiyuki'
'Takeda, Masuo'
_publ_section_title
;
 Structural characterization of neptunyl(VI) trinitrato complexes:
 M[NpO₂(NO₃)₃] (M = NH₄⁺ and K⁺)
;
_journal_issue                   2
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              253
_journal_page_last               257
_journal_paper_doi               10.1246/bcsj.75.253
_journal_volume                  75
_journal_year                    2002
_chemical_formula_sum            'H4 N4 Np O11'
_chemical_name_systematic        '(N H4) (Np O2) (N O3)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.26
_cell_length_b                   9.26
_cell_length_c                   18.92
_cell_volume                     1404.992
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Wang_BCSJA8_2002_1111.cif
_cod_data_source_block           H4N4Np1O11
_cod_original_formula_sum        'H4 N4 Np1 O11'
_cod_database_code               1532235
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
_atom_site_attached_hydrogens
N2 N+5 0.6875 0 0.25 1 0.0 0
O1 O-2 0 0 0.3417 1 0.0 0
Np1 Np+6 0 0 0.25 1 0.0 0
O2 O-2 0.557 0 0.25 1 0.0 0
N1 N-3 0 0 0 1 0.0 4
O3 O-2 0.8258 0.1322 0.2563 1 0.0 0
