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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/7/22/25/7222569.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_7222569
loop_
_publ_author_name
'Biedermann, M.'
'Hartung, H.'
'Boehland, H.'
'Matthaeus, R.'
_publ_section_title
;
 Koordinationsambidenz des Thiocyanations in
 Alkalithiocyanatomanganat(II)- Hydraten
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              416
_journal_page_last               422
_journal_volume                  53
_journal_year                    1998
_chemical_formula_sum            'C3 H6 Mn N3 Na O3 S3'
_chemical_name_systematic        'Na (Mn (N C S)3) (H2 O)3'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.1307
_cell_length_b                   10.1307
_cell_length_c                   6.349
_cell_volume                     564.306
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Biedermann_ZNBSEN_1998_456.cif
_cod_data_source_block           C3H6Mn1N3Na1O3S3
_cod_original_cell_volume        564.3063
_cod_original_formula_sum        'C3 H6 Mn1 N3 Na1 O3 S3'
_cod_database_code               7222569
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
C1 C+4 0.97418 0.39694 -0.2148 1 0.0
H1 H+1 1.2739 0.1821 -0.2405 1 0.0
Mn1 Mn+2 0.6667 0.3333 0.03824 1 0.0
Na2 Na+1 1 0 -0.5 1 0.0
N1 N-3 0.85682 0.34844 -0.134 1 0.0
O1 O-2 1.18835 0.16863 -0.2426 1 0.0
S1 S-2 1.14098 0.46377 -0.3306 1 0.0
Na1 Na+1 1 0 0 1 0.0
H2 H+1 1.1911 0.2491 -0.2473 1 0.0
