#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529644.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_1529644
loop_
_publ_author_name
'Bochkova, R.I.'
'Grishin, I.A.'
'Kuz'min, E.A.'
'Belov, N.V.'
_publ_section_title
;
 Refinement of the crystal structure of barium chloride dihydrate Ba Cl2
 (H2 O)2
;
_journal_name_full               Kristallografiya
_journal_page_first              1064
_journal_page_last               1065
_journal_volume                  25
_journal_year                    1980
_chemical_formula_sum            'Ba Cl2 H4 O2'
_chemical_name_systematic        'Ba Cl2 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 132.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.717
_cell_length_b                   10.9
_cell_length_c                   9.696
_cell_volume                     521.713
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bochkova_KRISAJ_1980_650.cif
_cod_data_source_block           H4Ba1Cl2O2
_cod_original_cell_volume        521.7126
_cod_original_formula_sum        'H4 Ba1 Cl2 O2'
_cod_database_code               1529644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
_atom_site_attached_hydrogens
Ba1 Ba+2 0.1049 0.2832 0.1461 1 0.0 0
Cl2 Cl-1 0.0081 0.5808 0.2056 1 0.0 0
O1 O-2 0.3054 0.3522 0.5068 1 0.0 2
Cl1 Cl-1 0.3389 -0.0949 0.1979 1 0.0 0
O2 O-2 0.4394 0.6429 0.0593 1 0.0 2
