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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/1/52/97/1529708.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_1529708
loop_
_publ_author_name
'Burrow, J.H.'
'Maule, C.H.'
'Strange, P.'
'Wilson, J.A.'
'Tothill, J.N.'
_publ_section_title
;
 The electronic conditions in the 5d layer-metal La I2, making comparison
 with the iso-electronic tantalum dichalcogenides, with the other RE
 di-iodides, and with the RE monochalcogenides
;
_journal_name_full               'Journal of Physics C'
_journal_page_first              4115
_journal_page_last               4133
_journal_volume                  20
_journal_year                    1987
_chemical_formula_sum            'I2 La'
_chemical_name_systematic        'La I2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.922
_cell_length_b                   3.922
_cell_length_c                   13.97
_cell_volume                     214.888
_citation_journal_id_ASTM        JPSOAW
_cod_data_source_file            Burrow_JPSOAW_1987_1534.cif
_cod_data_source_block           I2La1
_cod_original_cell_volume        214.8877
_cod_original_formula_sum        'I2 La1'
_cod_database_code               1529708
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
La1 La+2 0 0 0 1 0.0
I1 I-1 0 0 0.365 1 0.0
