#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/88/1528836.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_1528836
loop_
_publ_author_name
'Sahl, K.'
_publ_section_title
;
 Die Verfeinerung der Kristallstrukturen von Pb Cl2 (Cotunnit), Ba Cl2, Pb
 S O4 (Anglesit) und Ba S O4 (Baryt)
;
_journal_name_full
'Beitraege zur Mineralogie und Petrographie (-11,1965)'
_journal_page_first              111
_journal_page_last               132
_journal_volume                  9
_journal_year                    1963
_chemical_formula_sum            'Ba Cl2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.878
_cell_length_b                   9.415
_cell_length_c                   4.731
_cell_volume                     350.905
_citation_journal_id_ASTM        BMUPA4
_cod_data_source_file            Sahl_BMUPA4_1963_365.cif
_cod_data_source_block           Ba1Cl2
_cod_original_cell_volume        350.9047
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Ba1 Cl2'
_cod_database_code               1528836
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
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
Ba1 Ba+2 0.2504 0.118 0.25 1 0.0
Cl1 Cl-1 0.356 0.431 0.25 1 0.0
Cl2 Cl-1 0.027 0.329 0.75 1 0.0
