#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/25/9012541.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_9012541
loop_
_publ_author_name
'Holseth, H.'
'Kjekshus, A.'
_publ_section_title
;
 Compounds with the marcasite type crystal structure
 IV. The crystal structure of FeSb2
 Note: Powder X-ray counted by step-scanning
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3043
_journal_page_last               3050
_journal_paper_doi               10.3891/acta.chem.scand.23-3043
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8328
_cell_length_b                   6.5376
_cell_length_c                   3.1973
_cell_formula_units_Z            2
_cell_volume                     121.921
_database_code_amcsd             0011920
_exptl_crystal_density_diffrn    8.154
_cod_database_code               9012541
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe 0.00000 0.00000 0.00000 0.04306
Sb 0.18820 0.35520 0.00000 0.03673
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011920
