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#$Date: 2023-11-14 20:05:30 +0200 (Tue, 14 Nov 2023) $
#$Revision: 287588 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/93/9009340.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_9009340
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 Crystal structure of sternbergite, AgFe2S3
 Locality: Medenec, Krusne hory Mts, Czechoslovakia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              458
_journal_page_last               464
_journal_volume                  1987
_journal_year                    1987
_chemical_formula_sum            'Ag Fe2 S3'
_chemical_name_mineral           Sternbergite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2ac'
_space_group_name_H-M_alt        'C c m e'
_symmetry_space_group_name_Hall  '-C 2ac 2ac'
_symmetry_space_group_name_H-M   'C c m e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.615
_cell_length_b                   11.639
_cell_length_c                   12.693
_cell_volume                     977.259
_exptl_crystal_density_diffrn    4.292
_cod_original_sg_symbol_H-M      'C c m b'
_cod_database_code               9009340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
1/2-x,y,1/2+z
-x,1/2+y,1/2+z
1/2+x,-y,1/2-z
+x,1/2-y,1/2-z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
1/2+x,y,1/2-z
+x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-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
Ag 0.02830 0.02480 0.05960 0.00000 0.00830 0.00000
Fe 0.01860 0.00870 0.02610 0.00100 0.00170 0.00040
S1 0.03230 0.00990 0.04400 0.00000 -0.00890 0.00000
S2 0.02240 0.01420 0.03400 -0.00410 -0.00080 0.00410
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag 0.85310 0.00000 0.69960
Fe 0.83350 0.33510 0.56350
S1 0.69520 0.00000 0.88000
S2 0.66580 0.17860 0.61790
_database_code_amcsd 0014818