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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/2/31/04/2310482.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_2310482
loop_
_publ_author_name
'Schneider, W.'
_publ_section_title
;
 Neubestimmung der Kristallstruktur des Mangan-Leonits, K2 Mn (S O4)2 (H2
 O)4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              784
_journal_page_last               791
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'H8 K2 Mn O12 S2'
_chemical_name_systematic        'K2 Mn (S O4)2 (H2 O)4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.03
_cell_length_b                   9.61
_cell_length_c                   9.98
_cell_volume                     1149.380
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Schneider_ACCRA9_1961_1455.cif
_cod_data_source_block           H8K2Mn1O12S2
_cod_original_cell_volume        1149.38
_cod_original_formula_sum        'H8 K2 Mn1 O12 S2'
_cod_database_code               2310482
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O3 O-2 0.172 0 0.051 1 0.0
O5 O-2 0.169 0.5 0.439 1 0.0
O2 O-2 0.334 0.373 0.412 1 0.0
O4 O-2 0.184 0.5 0.1 1 0.0
Mn2 Mn+2 0 0.5 0.5 1 0.0
O9 O-2 0.496 0.5 0.223 1 0.0
S2 S+6 0.29 0.5 0.478 1 0.0
O6 O-2 0.191 0 0.376 1 0.0
S1 S+6 0.293 0 0.045 1 0.0
O1 O-2 0.337 0.127 0.111 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
K1 K+1 0.171 0.263 0.248 1 0.0
O7 O-2 0.46 0.162 0.353 1 0.0
O8 O-2 0 0.225 0 1 0.0
