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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/2/10/63/2106378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106378
loop_
_publ_author_name
'Leligny, H.'
'Monier, J.C.'
_publ_section_title
;
 Structure cristalline de Cd Br2 (H2 O)4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              5
_journal_page_last               8
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Br2 Cd H8 O4'
_chemical_name_systematic        'Cd Br2 (H2 O)4'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.594
_cell_length_b                   7.551
_cell_length_c                   4.002
_cell_volume                     380.579
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Leligny_ACBCAR_1978_812.cif
_cod_data_source_block           H8Br2Cd1O4
_cod_original_cell_volume        380.5793
_cod_original_formula_sum        'H8 Br2 Cd1 O4'
_cod_database_code               2106378
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-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
Cd1 Cd+2 0 0 0 1 0.0
O2 O-2 0.1948 0.4516 0 1 0.0
O1 O-2 0.1797 0.0833 0 1 0.0
Br1 Br-1 -0.03512 0.24216 0.5 1 0.0
