#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/60/1536019.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_1536019
loop_
_publ_author_name
'Nilges, T.'
'Zimmerer, S.'
'Pfitzner, A.'
'Kurowski, D.'
_publ_section_title
;
 Cu Cl Se1.53 Te0.47 and Cu Cl Se0.56 Te1.44 : structural and vibrational
 spectroscopic investigations on copper(I) chalcogen chlorides
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2809
_journal_page_last               2814
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Cl Cu Se0.56 Te1.44'
_chemical_name_systematic        'Cu Se0.56 Te1.44 Cl'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.874
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0744
_cell_length_b                   4.8301
_cell_length_c                   10.9733
_cell_volume                     415.475
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nilges_ZAACAB_2002_773.cif
_cod_data_source_block           Cl1Cu1Se0.56Te1.44
_cod_original_cell_volume        415.4749
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl1 Cu1 Se0.56 Te1.44'
_cod_database_code               1536019
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Cl1 Cl-1 0.70548 0.1217 0.61582 1 0.0
Se1 Se 0.43302 0.22078 0.85598 0.499 0.0
Te1 Te 0.43302 0.22078 0.85598 0.501 0.0
Te2 Te 0.86209 0.00171 0.13696 0.944 0.0
Se2 Se 0.86209 0.00171 0.13696 0.056 0.0
Cu1 Cu+1 0.42381 0.13758 0.2515 1 0.0
