#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011860.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_9011860
loop_
_publ_author_name
'Organova, N. I.'
'Drits, V. A.'
'Dmitrik, A. L.'
_publ_section_title
;Structural study of tochilinite. II. Acicular variety: Unusual diffraction
 patterns Note: sulfide layer portion of structure only Note: corrections to
 Fe5 from ICSD
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              606
_journal_page_last               609
_journal_volume                  18
_journal_year                    1974
_chemical_formula_sum            'Fe4 S5'
_chemical_name_mineral           Tochilinite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                87.33
_cell_angle_beta                 94.5
_cell_angle_gamma                92
_cell_length_a                   8.34
_cell_length_b                   8.54
_cell_length_c                   10.74
_cell_formula_units_Z            2
_cell_volume                     761.381
_database_code_amcsd             0015564
_exptl_crystal_density_diffrn    1.674
_cod_database_code               9011860
loop_
_space_group_symop_operation_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1 0.29000 0.09200 0.00000 0.00253
Fe2 0.58200 0.20600 0.00000 0.00253
Fe3 0.90600 0.28700 0.00000 0.00253
Fe4 0.22600 0.41100 0.00000 0.00253
Fe5 0.71000 0.90800 0.00000 0.00253
Fe6 0.41800 0.79400 0.00000 0.00253
Fe7 0.09400 0.71300 0.00000 0.00253
Fe8 0.77400 0.58900 0.00000 0.00253
S1 0.50000 0.00000 0.12900 0.00253
S2 0.79000 0.10700 -0.12900 0.00253
S3 0.09300 0.20100 0.12900 0.00253
S4 0.38600 0.30700 -0.12900 0.00253
S5 0.69200 0.38700 0.12900 0.00253
S6 0.00000 0.50000 -0.12900 0.00253
S7 0.21000 0.89300 -0.12900 0.00253
S8 0.90700 0.79900 0.12900 0.00253
S9 0.61400 0.69300 -0.12900 0.00253
S10 0.30800 0.61100 0.12900 0.00253
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015564
