#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/58/9005867.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9005867
loop_
_publ_author_name
'Oelkrug, H.'
'Bruckel, T.'
'Hohlwein, D.'
'Hoser, A.'
'Prandl, W.'
_publ_section_title
;
 The magnetic structure of the langbeinite K2Mn2(SO4)3
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              246
_journal_page_last               249
_journal_volume                  16
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K2 Mn2 O12 S3'
_chemical_name_mineral           Langbeinite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1073
_cell_length_b                   10.1073
_cell_length_c                   10.1073
_cell_formula_units_Z            4
_cell_volume                     1032.537
_database_code_amcsd             0007449
_exptl_crystal_density_diffrn    3.064
_cod_original_formula_sum        'K2 Mn2 S3 O12'
_cod_database_code               9005867
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K1 0.80650 0.80650 0.80650 0.03673
K2 0.05150 0.05150 0.05150 0.05826
Mn1 0.32990 0.32990 0.32990 -0.02913
Mn2 0.59830 0.59830 0.59830 0.04433
S 0.21980 0.37990 0.01360 0.03166
O1 0.30100 0.26940 0.95750 0.04559
O2 0.08380 0.33500 0.00610 0.04306
O3 0.23080 0.49090 0.92800 0.03926
O4 0.26090 0.41470 0.14730 0.03040
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007449
