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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/1/53/50/1535053.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_1535053
loop_
_publ_author_name
'Becker, R.'
'Johnsson, M.'
'Kremer, R.'
'Lemmens, P.'
_publ_section_title
;
 Crystal structure, magnetic properties and conductivity of Cu Sb Te O3
 Cl2
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1411
_journal_page_last               1416
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Cl2 Cu O3 Sb Te'
_chemical_name_systematic        'Cu (Sb Te O3) Cl2'
_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                 101.93
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   20.426
_cell_length_b                   4.0924
_cell_length_c                   10.845
_cell_volume                     886.968
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Becker_SSSCFJ_2003_1209.cif
_cod_data_source_block           Cl2Cu1O3Sb1Te1
_cod_original_cell_volume        886.9678
_cod_original_formula_sum        'Cl2 Cu1 O3 Sb1 Te1'
_cod_database_code               1535053
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
O1 O-2 0.6419 0 0.8875 1 0.0
Te3 Te+4 0.69565 0 0.05187 0.5 0.0
O4 O-2 0.7793 0 0.9848 1 0.0
Sb1 Sb+3 0.04553 0.5 0.82115 0.5 0.0
Cl1 Cl-1 0.3997 0 0.6269 1 0.0
Cu3 Cu+1 -0.227 -0.406 0.5457 0.183 0.0
O2 O-2 0.0672 0.5 0.6515 1 0.0
Sb3 Sb+3 0.69565 0 0.05187 0.5 0.0
Cu2 Cu+1 0.25 0.75 0.5 0.132 0.0
O3 O-2 0.0555 0 0.7683 1 0.0
Te2 Te+4 0.58604 0.5 0.6033 0.5 0.0
Sb2 Sb+3 0.58604 0.5 0.6033 0.5 0.0
O5 O-2 0.5 0.5 0.5 1 0.0
Cu1 Cu+1 0.36025 0.5 0.7037 1 0.0
Te1 Te+4 0.04553 0.5 0.82115 0.5 0.0
Cl2 Cl-1 0.08296 0 0.0804 1 0.0
Cl3 Cl-1 0.2431 0.5 0.6644 1 0.0
