#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/19/9011992.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_9011992
loop_
_publ_author_name
'Welz, D.'
'Deppe, P.'
'Schaefer, W.'
'Sabrowsky, H.'
'Rosenberg, M.'
_publ_section_title
;
 Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium
 I. Chain structures
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              297
_journal_page_last               308
_journal_paper_doi               10.1016/0022-3697(89)90492-7
_journal_volume                  50
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe S2 Tl'
_chemical_name_mineral           Raguinite
_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                 144.60
_cell_angle_gamma                90
_cell_length_a                   11.68
_cell_length_b                   5.32
_cell_length_c                   10.53
_cell_formula_units_Z            4
_cell_volume                     379.029
_database_code_amcsd             0013236
_exptl_crystal_density_diffrn    5.684
_cod_original_formula_sum        'Tl Fe S2'
_cod_database_code               9011992
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl 0.03400 0.00000 0.35900
Fe 0.00000 0.25400 0.00000
S1 0.25900 0.00000 0.29900
S2 0.41600 0.00000 0.09200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013236
