#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/08/9000864.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_9000864
loop_
_publ_author_name
'Bayliss, P.'
_publ_section_title
;
 A further crystal structure refinement of cobaltite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1048
_journal_page_last               1057
_journal_volume                  67
_journal_year                    1982
_chemical_formula_sum            'As Co S'
_chemical_name_mineral           Cobaltite
_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                   5.592
_cell_length_b                   5.587
_cell_length_c                   5.567
_cell_formula_units_Z            4
_cell_volume                     173.927
_database_code_amcsd             0000883
_exptl_crystal_density_diffrn    6.336
_cod_original_formula_sum        'Co As S'
_cod_database_code               9000864
loop_
_space_group_symop_operation_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
Co 0.99550 0.25960 0.00000 0.00443
As 0.38450 0.63140 0.38090 0.00811
S 0.61950 0.86940 0.61680 0.00291
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000883
