#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000017.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_9000017
loop_
_publ_author_name
'Buerger, M. J.'
_publ_section_title
;
 The crystal structure of gudmundite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              183
_journal_page_last               184
_journal_volume                  24
_journal_year                    1939
_chemical_formula_sum            'Fe S Sb'
_chemical_name_mineral           Gudmundite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 67.87
_cell_angle_gamma                90
_cell_length_a                   6.02
_cell_length_b                   5.93
_cell_length_c                   6.02
_cell_formula_units_Z            4
_cell_volume                     199.074
_database_code_amcsd             0000020
_exptl_crystal_density_diffrn    6.995
_cod_original_formula_sum        'Fe Sb S'
_cod_database_code               9000017
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe -0.30000 0.01500 0.30000
Sb 0.14900 0.13100 0.13200
S -0.35600 0.14500 0.66700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000020
