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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/4/03/15/4031582.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_4031582
loop_
_publ_author_name
'Ben Salah, M.'
'Vilminot, S.'
'Mhiri, T.'
'Mohamedally, K.'
_publ_section_title
;
 Synthesis, Crystal Structure, and Magnetic Properties of Mn2(OH)2SO4: A
 Novel Layered Hydroxide
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              2272
_journal_page_last               2276
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'H2 Mn2 O6 S'
_chemical_name_systematic        'Mn2 (O H)2 (S O4)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.061
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2358
_cell_length_b                   7.4822
_cell_length_c                   6.1572
_cell_volume                     468.896
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            BenSalah_EJICFO_2004_1298.cif
_cod_data_source_block           H2Mn2O6S1
_cod_original_cell_volume        468.8958
_cod_original_formula_sum        'H2 Mn2 O6 S1'
_cod_database_code               4031582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
O2 O-2 0.049 0.2023 0.1084 1 0.0
O1 O-2 0.3147 0.3689 0.201 1 0.0
O3 O-2 0.1087 0.4293 0.4143 1 0.0
Mn1 Mn+2 0.25127 0.09849 0.18252 1 0.0
H1 H+1 0.39 0.3593 0.2752 1 0.0
S1 S+6 0 0.31357 0.25 1 0.0
