#------------------------------------------------------------------------------
#$Date: 2018-02-04 23:21:00 +0100 (dom 04 de feb de 2018) $
#$Revision: 206168 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535050.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_1535050
loop_
_publ_author_name
'Becker, R.'
'Johnsson, M.'
'Kremer, R.K.'
'Lemmens, P.'
_publ_section_title
;
 Crystal structure and magnetic properties of Cu3(TeO3)2Br2 - a layered
 compound with a new Cu(II) coordination polyhedron
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2024
_journal_page_last               2029
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Br2 Cu3 O6 Te2'
_chemical_name_systematic        'Cu3 (Te O3)2 Br2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-A 2y'
_space_group_name_H-M_alt        'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1999
_cell_length_b                   6.2781
_cell_length_c                   9.3186
_cell_volume                     457.793
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Becker_JSSCBI_2005_1805.cif
_cod_data_source_block           Br2Cu3O6Te2
_cod_original_cell_volume        457.7928
_cod_database_code               1535050
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 x,y+1/2,z+1/2
6 -x,y+1/2,-z+1/2
7 -x,-y+1/2,-z+1/2
8 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
Te1 Te+4 0.23943 0 0.66206 1 0.0
Cu2 Cu+2 0.35883 0 0.08294 1 0.0
O1 O-2 0.3675 0.1966 -0.4176 1 0.0
Cu1 Cu+2 0.5 0 0.5 1 0.0
O2 O-2 0.6283 0 0.1405 1 0.0
Br1 Br-1 0.13958 0 0.21243 1 0.0
