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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/1/53/84/1538450.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_1538450
loop_
_publ_author_name
'Oswald, H.R.'
'Iitaka, Y.'
'Locchi, S.'
'Ludi, A.'
_publ_section_title
;
 Die Kristallstrukturen von Cu2 (O H)3 Br und Cu2 (O H)3 J
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              2103
_journal_page_last               2109
_journal_volume                  44
_journal_year                    1961
_chemical_formula_sum            'Cu2 H3 I O3'
_chemical_name_systematic        'Cu2 (O H)3 I'
_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                 95.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.653
_cell_length_b                   6.157
_cell_length_c                   6.56
_cell_volume                     227.395
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Oswald_HCACAV_1961_1922.cif
_cod_data_source_block           H3Cu2I1O3
_cod_original_cell_volume        227.3953
_cod_original_formula_sum        'H3 Cu2 I1 O3'
_cod_database_code               1538450
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
O1 O-2 0.881 0.25 0.838 1 0.0
O2 O-2 0.311 -0.005 0.861 1 0.0
Cu2 Cu+2 0.509 0.25 0.003 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
I1 I-1 0.2077 0.25 0.3806 1 0.0
