#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/17/1511747.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_1511747
loop_
_publ_author_name
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Lanthanum boride iodide
;
_journal_name_full               'Private Communication'
_journal_page_first              1
_journal_page_last               1
_journal_volume                  1996
_journal_year                    1996
_chemical_formula_sum            'B4 I5 La4'
_chemical_name_systematic        'La4 B4 I5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.246
_cell_length_b                   4.342
_cell_length_c                   10.283
_cell_volume                     815.945
_citation_journal_id_ASTM        PRICO6
_cod_data_source_file            boron4-x_83.cif
_cod_data_source_block           B4I5La4
_cod_original_cell_volume        815.9455
_cod_database_code               1511747
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
I3 I-1 0.5143 0.5 0.5098 0.5 0.0
B1 B-1 0.5 0.1803 0 1 0.0
I1 I-1 0.32873 0 0.14977 1 0.0
I2 I-1 0.68786 0 0.32184 1 0.0
La1 La+3 0.13701 0 0.06861 1 0.0
La2 La+3 0.51007 0 0.25381 1 0.0
B2 B-1 -0.0036 0 -0.0979 1 0.0
