#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/53/9015335.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_9015335
loop_
_publ_author_name
'Ma, C.'
'Beckett, J. R.'
'Rossman, G. R.'
_publ_section_title
;
 Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1226
_journal_page_last               1233
_journal_paper_doi               10.2138/am.2012.4110
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Zaklodzie, Poland'
_chemical_formula_sum            'Fe0.46 Mg0.04 Mn0.16 S Zn0.32'
_chemical_name_mineral           Buseckite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.8357
_cell_length_b                   3.8357
_cell_length_c                   6.3002
_cell_formula_units_Z            2
_cell_volume                     80.274
_database_code_amcsd             0019081
_exptl_crystal_density_diffrn    3.659
_cod_original_formula_sum        'Fe.46 Zn.32 Mn.16 Mg.04 S'
_cod_database_code               9015335
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe 0.33333 0.66667 0.00000 0.46000
Zn 0.33333 0.66667 0.00000 0.32000
Mn 0.33333 0.66667 0.00000 0.16000
Mg 0.33333 0.66667 0.00000 0.04000
S 0.33333 0.66667 0.37500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019081
