#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (Thu 25 de Apr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/58/9005868.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_9005868
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
 Sample at T = 4.2 K
 Note, there is something wrong with this dataset.
;
_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           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.0443
_cell_length_b                   10.0735
_cell_length_c                   10.0036
_cell_formula_units_Z            4
_cell_volume                     1012.177
_database_code_amcsd             0007450
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    3.125
_cod_original_formula_sum        'K2 Mn2 S3 O12'
_cod_database_code               9005868
loop_
_space_group_symop_operation_xyz
x,y,z
-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 0.17110 0.32370 0.67990 0.00570
K2 0.02180 0.05190 0.04830 0.00570
Mn1 0.27460 0.35580 0.34610 0.00570
Mn2 0.38560 0.08090 0.93070 0.00570
S1 0.27090 0.33490 0.04140 0.00570
S2 0.39140 0.02330 0.21140 0.00570
S3 0.97020 0.21710 0.36770 0.00570
O1 0.31300 0.25780 0.01250 0.00570
O2 0.07820 0.33120 0.98850 0.00570
O3 0.26970 0.47120 0.93870 0.00570
O4 0.21960 0.42750 0.16100 0.00570
O5 0.29950 0.92430 0.32520 0.00570
O6 0.81950 0.98990 0.10720 0.00570
O7 0.51580 0.95730 0.24450 0.00570
O8 0.37780 0.15270 0.29280 0.00570
O9 0.95770 0.27480 0.25980 0.00570
O10 0.05820 0.07680 0.33980 0.00570
O11 0.91520 0.17990 0.48230 0.00570
O12 0.12500 0.28270 0.43450 0.00570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007450
