#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/71/1527169.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527169
loop_
_publ_author_name
'Boon, J.W.'
'MacGillavry, C.H.'
_publ_section_title
;
 The crystal structure of potassium thioferrite K Fe S2 and sodium
 thiochromite Na Cr S2
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              910
_journal_page_last               920
_journal_volume                  61
_journal_year                    1942
_chemical_formula_sum            'Cr Na S2'
_chemical_name_systematic        'Na (Cr S2)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                29.8
_cell_angle_beta                 29.8
_cell_angle_gamma                29.8
_cell_formula_units_Z            1
_cell_length_a                   6.87
_cell_length_b                   6.87
_cell_length_c                   6.87
_cell_volume                     70.915
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Boon_RTCPA3_1942_1529.cif
_cod_data_source_block           Cr1Na1S2
_cod_original_cell_volume        70.91464
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Cr1 Na1 S2'
_cod_database_code               1527169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cr1 Cr+3 0 0 0 1 0.0
Na1 Na+1 0.5 0.5 0.5 1 0.0
S1 S-2 0.264 0.264 0.264 1 0.0
