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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/4/03/16/4031635.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_4031635
loop_
_publ_author_name
'Fedorova, A.A.'
'Chizhov, P.S.'
'Morozov, I.V.'
'Troyanov, S.I.'
_publ_section_title
;
 Synthesis and Crystal Structures of New Iron(III) and Chromium(III)
 Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1845
_journal_page_last               1852
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Cr Cs2 N5 O15'
_chemical_name_systematic        'Cs2 (Cr (N O3)5)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.062
_cell_length_b                   11.062
_cell_length_c                   9.919
_cell_volume                     1051.153
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Fedorova_RJICAQ_2002_838.cif
_cod_data_source_block           Cr1Cs2N5O15
_cod_original_formula_sum        'Cr1 Cs2 N5 O15'
_cod_database_code               4031635
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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
O3 O-2 0.6379 0.7712 0.1521 1 0.0
O4 O-2 0.6237 0.8108 0.363 1 0.0
O6 O-2 0.61 0.502 0.0698 1 0.0
Cs2 Cs+1 0.54008 0 0.1667 1 0.0
O5 O-2 0.702 0.6712 0.3071 1 0.0
O2 O-2 1.0209 1.0209 0 1 0.0
Cr1 Cr+3 0.692 0.692 0 1 0.0
Cs1 Cs+1 0.29712 0.29712 0 1 0.0
N2 N+5 0.6556 0.7492 0.2809 1 0.0
O7 O-2 0.6175 0.3117 0.1022 1 0.0
N3 N+5 0.6821 0.4364 0.0906 1 0.0
N1 N+5 0.9115 0.9115 0 1 0.0
O8 O-2 0.8127 0.5098 0.091 1 0.0
O1 O-2 0.894 0.8044 0.0645 1 0.0
