#------------------------------------------------------------------------------
#$Date: 2015-07-14 02:08:24 +0200 (mar 14 de jul de 2015) $
#$Revision: 151917 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/90/1529007.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_1529007
loop_
_publ_author_name
'Wontcheu, J.'
'Bensch, W.'
'Mankovsky, S.'
'Brecher, E.'
'Polesya, S.'
'Kremer, R.K.'
'Ebert, H.'
_publ_section_title
;
 Anion substitution effects on the structure and magnetism of the chromium
 chalcogenide Cr5 Te8 - Part III: Structures and magnetism of the
 high-temperature modification Cr(1+x) Q2 and the low-temperature
 modification Cr(5+x) Q8 (Q = Te, Se; Te:Se = 5:3)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1492
_journal_page_last               1505
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Cr1.37 Se0.75 Te1.25'
_chemical_name_systematic        'Cr1.37 Te1.25 Se0.75'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.8
_cell_length_b                   3.8
_cell_length_c                   6.029
_cell_volume                     75.395
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wontcheu_JSSCBI_2008_1528.cif
_cod_data_source_block           Cr1.37Se0.75Te1.25
_cod_original_cell_volume        75.3951
_cod_database_code               1529007
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
Se1 Se-2 0.3333 0.6667 0.2505 0.375 0.0
Cr1 Cr+2 0 0 0 1 0.0
Te1 Te-2 0.3333 0.6667 0.2505 0.625 0.0
Cr2 Cr+2 0 0 0.5 0.372 0.0
