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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/2/10/65/2106551.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_2106551
loop_
_publ_author_name
'Leligny, H.'
'Monier, J.C.'
_publ_section_title
;
 Structure de Cd Cl2 (H2 O)2.5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              728
_journal_page_last               732
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cd Cl2 H5 O2.5'
_chemical_name_systematic        'Cd Cl2 (H2 O)2.5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.1
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.21
_cell_length_b                   11.88
_cell_length_c                   10.08
_cell_volume                     1101.287
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Leligny_ACBCAR_1975_1937.cif
_cod_data_source_block           H5Cd1Cl2O2.5
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H5 Cd1 Cl2 O2.5'
_cod_database_code               2106551
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
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
Cl2 Cl-1 -0.09395 0.46207 0.80078 1 0.0
O1 O-2 0.1661 0.2788 0.7593 1 0.0
O2 O-2 0.4768 0.3252 0.4396 1 0.0
Cd2 Cd+2 0.27795 0.41058 0.33269 1 0.0
Cl3 Cl-1 0.31481 0.30243 0.11643 1 0.0
O3 O-2 0.4363 0.5636 0.3095 1 0.0
O5 O-2 0.3394 0.4559 0.8614 1 0.0
Cl4 Cl-1 0.1947 0.51878 0.54888 1 0.0
Cd1 Cd+2 -0.00195 0.35796 0.60259 1 0.0
O4 O-2 0.1542 0.6445 0.8762 1 0.0
Cl1 Cl-1 0.10163 0.25919 0.40519 1 0.0
