#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000018.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_9000018
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_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc (x+1/2*z,y,1/2*z)'
_space_group_name_H-M_alt        'B 1 21/d 1'
_symmetry_space_group_name_H-M   'B 1 21/d 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.
_cell_angle_gamma                90
_cell_length_a                   10.00
_cell_length_b                   5.93
_cell_length_c                   6.73
_cell_formula_units_Z            8
_cell_volume                     399.089
_database_code_amcsd             0000021
_exptl_crystal_density_diffrn    6.979
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_formula_sum        'Fe Sb S'
_cod_database_code               9000018
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2+x,y,1/2+z
3 3/4-x,1/2+y,3/4-z
4 1/4-x,1/2+y,1/4-z
5 3/4+x,1/2-y,3/4+z
6 1/4+x,1/2-y,1/4+z
7 1/2-x,-y,1/2-z
8 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.01500 0.30000
Sb 0.14000 0.13100 -0.00800
S 0.15600 0.14500 0.51100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000021
