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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/1/53/16/1531654.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_1531654
loop_
_publ_author_name
'Khranenko, S.P.'
'Baidina, I.A.'
'Gromilov, S.A.'
'Belyaev, A.V.'
_publ_section_title
;
 Synthesis and crystal structure investigation of
 trinitrotriamminerhodium(III) (Rh (N O2)3 (N H3)3)
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              151
_journal_page_last               155
_journal_volume                  43
_journal_year                    2002
_chemical_formula_sum            'H9 N6 O6 Rh'
_chemical_name_systematic        '(Rh (N O2)3 (N H3)3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.27
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.176
_cell_length_b                   10.407
_cell_length_c                   10.989
_cell_volume                     819.329
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Khranenko_ZSTKAI_2002_1774.cif
_cod_data_source_block           H9N6O6Rh1
_cod_original_cell_volume        819.3293
_cod_original_formula_sum        'H9 N6 O6 Rh1'
_cod_database_code               1531654
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-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
O8 O-2 0.4961 0.7229 0.8729 1 0.0
O5 O-2 0.2174 -0.0691 0.7342 1 0.0
N4 N-3 -0.0426 0.0539 0.4423 1 0.0
O7 O-2 0.3807 0.5778 0.7539 1 0.0
O2 O-2 0.2635 0.3024 0.6251 1 0.0
N7 N-3 0.5267 0.505 0.0698 1 0.0
N8 N-3 0.1463 0.4728 0.1493 1 0.0
O4 O-2 0.5782 -0.03 0.6192 1 0.0
O12 O-2 -0.0366 0.5813 0.8184 1 0.0
N6 N+3 0.1703 0.2023 0.6208 1 0.0
Rh1 Rh+3 0.2338 0.0584 0.5049 1 0.0
O1 O-2 0.0321 0.1929 0.6828 1 0.0
N12 N+3 0.0037 0.5949 -0.074 1 0.0
O10 O-2 0.3959 0.7382 0.1704 1 0.0
O9 O-2 0.1834 0.8152 0.0504 1 0.0
N11 N+3 0.2822 0.7237 0.0844 1 0.0
N3 N+3 0.5063 0.0622 0.5639 1 0.0
N9 N-3 0.2434 0.378 -0.0954 1 0.0
O11 O-2 0.8819 0.6252 -0.0042 1 0.0
O6 O-2 0.0691 0.8336 0.5904 1 0.0
N5 N+3 0.17 -0.0767 0.6267 1 0.0
N2 N-3 0.2917 0.1981 0.3781 1 0.0
Rh2 Rh+3 0.2629 0.5515 -0.0034 1 0.0
N1 N-3 0.2932 -0.0832 0.3802 1 0.0
N10 N+3 0.3909 0.6283 0.8554 1 0.0
O3 O-2 0.6066 0.1556 0.542 1 0.0
