#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104166.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_8104166
loop_
_publ_author_name
'Rau, F.'
'Klement, U.'
'Range, K.J.'
_publ_section_title
;
 Crystal structure of fac-triaquatrichloroplatinum(IV)chloride
 hemihydrate, (Pt (H2 O)3 Cl3) Cl (H2 O)0.5
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              605
_journal_page_last               605
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Cl4 H7 O3.5 Pt'
_chemical_name_systematic        '(Pt (H2 O)3 Cl3 ) Cl (H2 O)0.5'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.1317
_cell_length_b                   11.968
_cell_length_c                   24.231
_cell_volume                     1778.172
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Rau_ZEKRDZ_1995_1818.cif
_cod_data_source_block           H7Cl4O3.5Pt1
_cod_original_formula_sum        'H7 Cl4 O3.5 Pt1'
_cod_database_code               8104166
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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
Cl1 Cl-1 0.2326 0.4326 0.4581 1 0.0
Cl3 Cl-1 0.4221 0.2246 0.09141 1 0.0
O4 O-2 0.2297 -0.0123 0.089 1 0.0
Cl4 Cl-1 0.3238 0.0837 0.20397 1 0.0
O3 O-2 -0.048 0.1755 0.0571 1 0.0
O1 O-2 0.5 0.3703 0.25 1 0.0
O2 O-2 -0.1346 0.0458 0.1599 1 0.0
Pt1 Pt+4 0.12507 0.13223 0.12758 1 0.0
Cl2 Cl-1 0.0028 0.2918 0.17089 1 0.0
