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#$Date: 2018-02-05 00:40:03 +0200 (Mon, 05 Feb 2018) $
#$Revision: 206169 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/45/1534525.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_1534525
loop_
_publ_author_name
'Gerlitzki, N.'
'Meyer, G.'
_publ_section_title
;
 Action of alkaline earth metals on lanthanum triiodide: unusually short
 La-La distances in Sr La I4 and Ba La I4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              915
_journal_page_last               916
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Ba I4 La'
_chemical_name_systematic        'Ba (La I4)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4142
_cell_length_b                   15.04
_cell_length_c                   8.9681
_cell_volume                     977.148
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Gerlitzki_ZAACAB_2002_493.cif
_cod_data_source_block           Ba1I4La1
_cod_original_cell_volume        977.1481
_cod_original_formula_sum        'Ba1 I4 La1'
_cod_database_code               1534525
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y,-z
3 -x,-y,-z
4 x-1/2,-y,z
5 x+1/2,y+1/2,z+1/2
6 -x+1,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z+1/2
8 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
Ba1 Ba+2 0.25 0.63501 1 1 0.0
I2 I-1 0.07781 0.43526 0.7963 1 0.0
I1 I-1 0.02914 0.6743 0.61587 1 0.0
La1 La+2 0.25 0.50022 0.5 1 0.0
