#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/60/1536023.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_1536023
loop_
_publ_author_name
'Nilges, T.'
'Zimmerer, S.'
'Kurowski, D.'
'Pfitzner, A.'
_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 Se1.53 Te0.47'
_chemical_name_systematic        'Cu Se1.53 Te0.47 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                 104.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8368
_cell_length_b                   4.699
_cell_length_c                   10.7622
_cell_volume                     383.920
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Nilges_ZAACAB_2002_774.cif
_cod_data_source_block           Cl1Cu1Se1.53Te0.47
_cod_original_cell_volume        383.9198
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl1 Cu1 Se1.53 Te0.47'
_cod_database_code               1536023
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
Se2 Se 0.85481 -0.00038 0.14382 0.6 0.0
Cu1 Cu+1 0.4248 0.13614 0.25174 1 0.0
Cl1 Cl-1 0.70259 0.1215 0.61026 1 0.0
Te2 Te 0.85481 -0.00038 0.14382 0.4 0.0
Te1 Te 0.42286 0.21828 0.84754 0.0731 0.0
Se1 Se 0.42286 0.21828 0.84754 0.9269 0.0
