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#$Date: 2025-08-18 18:33:07 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/22/1542228.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_1542228
loop_
_publ_author_name
'Larsson, L.O.'
'Niinisto, L.'
_publ_section_title
;
 The crystal structure of ammonium hexasulphitoferrate(III), (N H4)9 (Fe
 (S O)6)
;
_journal_name_full               'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              859
_journal_page_last               867
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'Fe H36 N9 O18 S6'
_chemical_name_systematic        '(N H4)9 (Fe (S O3)6)'
_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            1
_cell_length_a                   10.2226
_cell_length_b                   10.2226
_cell_length_c                   7.2055
_cell_volume                     652.105
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Larsson_ACSAA4_1973_1041.cif
_cod_data_source_block           H36Fe1N9O18S6
_cod_original_cell_volume        652.1049
_cod_original_formula_sum        'H36 Fe1 N9 O18 S6'
_cod_database_code               1542228
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
_atom_site_attached_hydrogens
O2 O-2 0.7507 0.5972 0.2774 1 0.0 0
N2 N-3 0.3333 0.6667 -0.0117 1 0.0 4
O1 O-2 0.5704 0.674 0.207 1 0.0 0
N3 N-3 0 0 0.5 1 0.0 4
N1 N-3 0.6131 0.957 0.3488 1 0.0 4
S1 S+4 0.714 0.682 0.1386 1 0.0 0
O3 O-2 0.8352 0.8499 0.1702 1 0.0 0
Fe1 Fe+3 0 0 0 1 0.0 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047909
