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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/1/53/28/1532842.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_1532842
loop_
_publ_author_name
'Machida, M.'
'Itho, H.'
'Koyano, N.'
_publ_section_title
;
 Molecular dynamics simulation and X-ray structural studies of
 mode-coupling in monoclinic K2 Zn Br4
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              2533
_journal_page_last               2538
_journal_volume                  72
_journal_year                    2003
_chemical_formula_sum            'Br4 K2 Zn'
_chemical_name_systematic        'K2 (Zn Br4)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.188
_cell_length_b                   7.508
_cell_length_c                   7.215
_cell_volume                     470.486
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Machida_JUPSAU_2003_1887.cif
_cod_data_source_block           Br4K2Zn1
_cod_original_cell_volume        470.4865
_cod_original_formula_sum        'Br4 K2 Zn1'
_cod_database_code               1532842
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
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
Br1 Br-1 -0.0664 0.25 0.1073 1 0.0
Br2 Br-1 0.3644 0.25 0.0759 1 0.0
K1 K+1 0.0438 0.25 0.7049 1 0.0
Zn1 Zn+2 0.2064 0.25 0.2818 1 0.0
Br3 Br-1 0.2667 0.5017 0.5021 1 0.0
K2 K+1 0.5751 0.25 0.7823 1 0.0
