#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528154.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_1528154
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 Fe N6 Na4 O10'
_chemical_name_systematic        'Na4 Fe (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_1189.cif
_cod_data_source_block           C6H20Fe1N6Na4O10
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C6 H20 Fe1 N6 Na4 O10'
_cod_database_code               1528154
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
Fe1 Fe+2 0 0 0 1 0.0 0
O5 O-2 0.391 0.281 0.105 1 0.0 2
C1 C+2 0.295 0.514 0.421 1 0.0 0
N2 N-3 0.489 0.23 0.462 1 0.0 0
C3 C+2 0.552 0.519 0.297 1 0.0 0
N3 N-3 0.429 0.471 0.824 1 0.0 0
O1 O-2 0.306 0.038 0.446 1 0.0 2
Na2 Na+1 0.712 0.127 0.398 1 0.0 0
O3 O-2 0.266 0.224 0.709 1 0.0 2
O4 O-2 0.118 0.272 0.31 1 0.0 2
O2 O-2 0.099 0.488 0.696 1 0.0 2
C2 C+2 0.489 0.335 0.475 1 0.0 0
N1 N-3 0.183 0.526 0.376 1 0.0 0
Na1 Na+1 0.091 0.139 0.508 1 0.0 0
