#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528290.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_1528290
loop_
_publ_author_name
'Aebi, F.'
_publ_section_title
;
 Die Kristallstruktur des basischen Kupferbromids Cu Br2 * 3(Cu (O H)2)
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              369
_journal_page_last               378
_journal_volume                  31
_journal_year                    1948
_chemical_formula_sum            'Br2 Cu4 H6 O6'
_chemical_name_systematic        'Cu Br2 (Cu (O H)2)3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.5
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.056
_cell_length_b                   6.139
_cell_length_c                   5.64
_cell_volume                     209.292
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Aebi_HCACAV_1948_286.cif
_cod_data_source_block           H6Br2Cu4O6
_cod_original_cell_volume        209.2916
_cod_original_formula_sum        'H6 Br2 Cu4 O6'
_cod_database_code               1528290
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0.83 0.25 0.87 1 0.0
O2 O-2 0.87 0 0.32 1 0.0
Br1 Br-1 0.375 0.25 0.208 1 0.0
Cu2 Cu+2 0 0.25 0.5 1 0.0
