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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104150.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_8104150
loop_
_publ_author_name
'Kleyn, A.G.'
'Pell, M.A.'
'Ibers, J.A.'
_publ_section_title
;
 Crystal structure of dicopper titanium tritelluride, Cu2 Ti Te3
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              93
_journal_page_last               93
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Cu2 Te3 Ti'
_chemical_name_systematic        'Cu2 Ti Te3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.731
_cell_length_b                   3.97
_cell_length_c                   7.077
_cell_volume                     551.420
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Kleyn_ZKNSFT_1997_1971.cif
_cod_data_source_block           Cu2Te3Ti1
_cod_original_cell_volume        551.4196
_cod_original_formula_sum        'Cu2 Te3 Ti1'
_cod_database_code               8104150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Te2 Te-2 0.418 0 0.13038 1 0.0
Te3 Te-2 0.58798 -0.5 0.32725 1 0.0
Cu2 Cu+1 0.45531 -0.5 0.3459 1 0.0
Cu1 Cu+1 0.28681 0 0.07111 1 0.0
Ti1 Ti+4 0.35326 0 0.4399 1 0.0
Te1 Te-2 0.24751 0 0.7092 1 0.0
