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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/2/10/65/2106530.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106530
loop_
_publ_author_name
'Johansson, L.G.'
'Lindqvist, O.'
_publ_section_title
;
 Manganese(II) sulfite trihydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2739
_journal_page_last               2741
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'H6 Mn O6 S'
_chemical_name_systematic        'Mn (S O3) (H2 O)3'
_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                 96.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.659
_cell_length_b                   8.92
_cell_length_c                   8.806
_cell_volume                     520.100
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Johansson_ACBCAR_1980_61.cif
_cod_data_source_block           H6Mn1O6S1
_cod_original_cell_volume        520.0996
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H6 Mn1 O6 S1'
_cod_database_code               2106530
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
O4 O-2 0.1106 0.3472 0.1444 1 0.0
S1 S+4 0.8255 0.0701 0.3263 1 0.0
O2 O-2 0.7231 0.1415 0.1806 1 0.0
O5 O-2 0.263 0.0443 0.0734 1 0.0
Mn1 Mn+2 0.43045 0.24605 0.1429 1 0.0
O1 O-2 0.9557 0.1983 0.4045 1 0.0
O3 O-2 0.5206 0.4632 0.2325 1 0.0
O6 O-2 0.3631 0.1665 0.3746 1 0.0
