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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106702.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_2106702
loop_
_publ_author_name
'Leligny, H.'
'Monier, J.C.'
_publ_section_title
;
 Structure cristalline de Cd Cl2 H2 O
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              305
_journal_page_last               309
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Cd Cl2 H2 O'
_chemical_name_systematic        'Cd Cl2 (H2 O)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.25
_cell_length_b                   3.776
_cell_length_c                   11.89
_cell_volume                     415.294
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Leligny_ACBCAR_1974_1733.cif
_cod_data_source_block           H2Cd1Cl2O1
_cod_original_cell_volume        415.2939
_cod_original_formula_sum        'H2 Cd1 Cl2 O1'
_cod_database_code               2106702
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Cl1 Cl-1 0.3128 -0.25 -0.0915 1 0.0
Cd1 Cd+2 0.1855 0.25 0.0165 1 0.0
Cl2 Cl-1 0.0395 0.75 0.1278 1 0.0
O1 O-2 0.3517 0.25 0.1623 1 0.0
