#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/40/9004093.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_9004093
loop_
_publ_author_name
'Rowland, J. F.'
'Gabe, E. J.'
'Hall, S. R.'
_publ_section_title
;
 The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              188
_journal_page_last               196
_journal_volume                  13
_journal_year                    1975
_chemical_formula_sum            'Co S Sb'
_chemical_name_mineral           Costibite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.873
_cell_length_b                   5.852
_cell_length_c                   3.608
_cell_formula_units_Z            2
_cell_volume                     102.889
_database_code_amcsd             0005114
_exptl_crystal_density_diffrn    6.867
_cod_original_formula_sum        'Co Sb S'
_cod_database_code               9004093
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2+z
x,y,-z
-x,1/2+y,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Co 0.00690 0.00540 0.00450 -0.00030 0.00000 0.00000
Sb 0.00680 0.00540 0.00450 -0.00050 0.00000 0.00000
S 0.00680 0.00490 0.00350 -0.00030 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co 0.28060 0.00000 0.00000
Sb 0.04120 0.37400 0.00000
S 0.45400 0.63370 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005114
