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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/70/2107068.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2107068
loop_
_publ_author_name
'Fenner, J.'
_publ_section_title
;
 Crystal structure of Cu Te2 Cl
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3084
_journal_page_last               3086
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cl Cu Te2'
_chemical_name_systematic        'Cu Te2 Cl'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.207
_cell_length_b                   4.935
_cell_length_c                   15.279
_cell_volume                     438.185
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Fenner_ACBCAR_1976_346.cif
_cod_data_source_block           Cl1Cu1Te2
_cod_original_cell_volume        438.1846
_cod_original_formula_sum        'Cl1 Cu1 Te2'
_cod_database_code               2107068
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Te2 Te 0.2958 0.2795 0.3587 1 0.0
Cu1 Cu+1 0.3283 0.6403 0.2489 1 0.0
Te1 Te -0.002 0.498 0.3652 1 0.0
Cl1 Cl-1 0.3296 0.3912 0.1185 1 0.0
