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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/1/53/59/1535946.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_1535946
loop_
_publ_author_name
'Naumov, N.G.'
'Cordier, S.'
'Perrin, C.'
_publ_section_title
;
 An extended open framework based on disordered [Nb6 Cl9 O3 (C N)6]5-
 cluster units: synthesis and crystal structure of Cs3 Mn [Nb6 Cl9 O3 (C
 N)6]. 0.6H2 O
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1517
_journal_page_last               1521
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'C6 H1.72 Cl9 Cs3 Mn N6 Nb6 O3.86'
_chemical_name_systematic        'Cs3 Mn (Nb6 Cl9 O3 (C N)6) (H2 O)0.86'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.708
_cell_length_b                   15.708
_cell_length_c                   15.708
_cell_volume                     3875.812
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Naumov_SSSCFJ_2005_1826.cif
_cod_data_source_block           C6H1.72Cl9Cs3Mn1N6Nb6O3.86
_cod_original_formula_sum        'C6 H1.72 Cl9 Cs3 Mn1 N6 Nb6 O3.86'
_cod_database_code               1535946
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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
Cs1 Cs+1 0.65638 0.15638 0.65638 0.223 0.0
Nb1 Nb+2 0.5 0 0.86714 1 0.0
C1 C+2 0.5 0 0.7189 1 0.0
N1 N-3 0.5 0 0.6452 1 0.0
Mn1 Mn+2 0.5 0 0.5 1 0.0
Cs3 Cs+1 0.6806 0.237 0.6806 0.0174 0.0
O1 O-2 0.366 0 0.866 0.27 0.0
O2 O-2 0.75 0.25 0.75 0.31 0.0
Cl1 Cl-1 0.345 0 0.845 0.73 0.0
Cs2 Cs+1 0.6802 0.1802 0.624 0.039 0.0
