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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/33/9013304.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_9013304
loop_
_publ_author_name
'Mloszewski, M. J.'
'Saha, A. K.'
'Nuffield, E. W.'
_publ_section_title
;
 Manganoan ferroan wurtzite from Llallagua, Bolivia (II)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              136
_journal_page_last               139
_journal_volume                  6
_journal_year                    1957
_chemical_compound_source        'Llallagua, Bolivia'
_chemical_formula_sum            'Fe0.26 Mn0.31 S Zn0.43'
_chemical_name_mineral           Wurtzite-2H
_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                   3.8754
_cell_length_b                   3.8754
_cell_length_c                   6.3276
_cell_formula_units_Z            2
_cell_volume                     82.301
_database_code_amcsd             0005075
_exptl_crystal_density_diffrn    3.702
_cod_original_formula_sum        '(Zn.43 Mn.31 Fe.26) S'
_cod_database_code               9013304
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
Zn 0.33333 0.66667 0.00000 0.43000
Mn 0.33333 0.66667 0.00000 0.31000
Fe 0.33333 0.66667 0.00000 0.26000
S 0.33333 0.66667 0.37500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005075
