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#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001248.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_9001248
loop_
_publ_author_name
'Bayliss, P.'
_publ_section_title
;
 Crystal chemistry and crystallography of some minerals within the pyrite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1168
_journal_page_last               1176
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ir S Sb'
_chemical_name_mineral           Tolovkite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.025
_cell_length_b                   6.025
_cell_length_c                   6.025
_cell_volume                     218.711
_exptl_crystal_density_diffrn    10.509
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_1274'
_[local]_cod_chemical_formula_sum_orig 'Ir Sb S'
_cod_database_code               9001248
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ir -0.00670 0.26120 0.00220 0.00253
Sb 0.37760 0.62760 0.37760 0.00507
S 0.62240 0.87240 0.62240 0.01013