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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104185.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_8104185
loop_
_publ_author_name
'Zhang, Z.'
'Lutz, H.D.'
_publ_section_title
;
 Redetermination of the crystal structures of lithium zinc iodide, Li2 Zn
 I4, and sodium zinc chloride, Na2 Zn Cl4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              691
_journal_page_last               692
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'I4 Li2 Zn'
_chemical_name_systematic        'Li2 (Zn I4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.828
_cell_length_b                   8.56
_cell_length_c                   7.0123
_cell_volume                     890.055
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Zhang_ZEKRDZ_1995_1833.cif
_cod_data_source_block           I4Li2Zn1
_cod_original_formula_sum        'I4 Li2 Zn1'
_cod_database_code               8104185
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Li1 Li+1 0 0 0 1 0.0
Li2 Li+1 0.265 0.25 0.002 1 0.0
Zn1 Zn+2 0.08618 0.25 0.4019 1 0.0
I1 I-1 0.08861 0.25 0.76978 1 0.0
I2 I-1 0.4243 0.25 0.25128 1 0.0
I3 I-1 0.16639 0.00752 0.24808 1 0.0
