#------------------------------------------------------------------------------
#$Date: 2016-09-18 20:34:50 +0300 (Sun, 18 Sep 2016) $
#$Revision: 186638 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/81/1528155.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_1528155
loop_
_publ_author_name
'Tullberg, A.'
'Vannerberg, N.G.'
_publ_section_title
;
 The crystal structures of Na4 Fe (C N)6 (H2 O)10 and Na4 Mn (C N)6 (H2
 O)10
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              343
_journal_page_last               344
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'C6 H20 Mn N6 Na4 O10'
_chemical_name_systematic        'Na4 Mn (C N)6 (H2 O)10'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8
_cell_length_b                   11.4
_cell_length_c                   9
_cell_volume                     996.878
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Tullberg_ACSAA4_1971_1190.cif
_cod_data_source_block           C6H20Mn1N6Na4O10
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C6 H20 Mn1 N6 Na4 O10'
_cod_database_code               1528155
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Mn1 Mn+2 0 0 0 1 0.0 0
C3 C+2 0.54 0.515 0.302 1 0.0 0
C2 C+2 0.495 0.327 0.471 1 0.0 0
O3 O-2 0.266 0.218 0.713 1 0.0 2
O4 O-2 0.113 0.271 0.319 1 0.0 2
C1 C+2 0.304 0.509 0.433 1 0.0 0
O1 O-2 0.302 0.037 0.443 1 0.0 2
Na2 Na+1 0.716 0.128 0.402 1 0.0 0
N3 N-3 0.431 0.471 0.822 1 0.0 0
N1 N-3 0.187 0.519 0.392 1 0.0 0
O5 O-2 0.382 0.277 0.097 1 0.0 2
N2 N-3 0.503 0.228 0.474 1 0.0 0
O2 O-2 0.106 0.487 0.7 1 0.0 2
Na1 Na+1 0.093 0.142 0.509 1 0.0 0
