#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/82/9008240.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_9008240
loop_
_publ_author_name
'Edenharter, A.'
'Nowacki, W.'
_publ_section_title
;
 Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              87
_journal_page_last               99
_journal_volume                  140
_journal_year                    1974
_chemical_compound_source        'Andreasberg, Harz, Germany'
_chemical_formula_sum            'Ag4 Mn S6 Sb2'
_chemical_name_mineral           Samsonite
_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                 92.63
_cell_angle_gamma                90
_cell_length_a                   10.362
_cell_length_b                   8.101
_cell_length_c                   6.647
_cell_formula_units_Z            2
_cell_volume                     557.378
_database_code_amcsd             0010764
_exptl_crystal_density_diffrn    5.495
_cod_original_formula_sum        'Mn Sb2 Ag4 S6'
_cod_database_code               9008240
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn 0.01846 0.01795 0.02725 0.00127 0.00331 0.00123
Sb 0.01357 0.01197 0.02345 0.00255 0.00174 0.00055
Ag1 0.02823 0.06350 0.03797 -0.01890 0.00801 -0.00559
Ag2 0.10639 0.02892 0.05115 -0.03526 0.00696 -0.01049
S1 0.01900 0.01297 0.02457 0.00042 0.00209 0.00136
S2 0.01466 0.01696 0.02234 0.00042 0.00104 -0.00150
S3 0.01248 0.01496 0.03417 0.00297 0.00104 -0.00327
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn 0.00000 0.00000 0.50000
Sb 0.18420 0.16426 0.03853
Ag1 0.30762 0.24550 0.57240
Ag2 0.49660 0.96910 0.76060
S1 0.09190 0.26890 0.34320
S2 0.98230 0.17370 0.83110
S3 0.76430 0.07930 0.38820
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010764
