#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/65/1536520.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_1536520
loop_
_publ_author_name
'Wickleder, C.'
_publ_section_title
;
 Crystal structure, thermal behavior, and luminescence of Ba Zn Cl4 - II :
 Sm(2+) and comparison to Ba Zn Cl4 - I : Sm(2+)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              237
_journal_page_last               242
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Ba Cl4 Zn'
_chemical_name_systematic        'Ba Zn Cl4'
_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            4
_cell_length_a                   6.4899
_cell_length_b                   15.374
_cell_length_c                   6.8237
_cell_volume                     680.840
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wickleder_JSSCBI_2001_275.cif
_cod_data_source_block           Ba1Cl4Zn1
_cod_original_cell_volume        680.8396
_cod_original_formula_sum        'Ba1 Cl4 Zn1'
_cod_database_code               1536520
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
Zn1 Zn+2 0.5 -0.10934 0.25 1 0.0
Ba1 Ba+2 0 0.1293 0.25 1 0.0
Cl2 Cl-1 0.1468 0.29921 0.0234 1 0.0
Cl1 Cl-1 0.2449 -0.03683 0.4085 1 0.0
