#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/11/1511188.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_1511188
loop_
_publ_author_name
'Albert, B.'
'Schmitt, K.'
_publ_section_title
;
 Die Kristallstruktur von Borontriiodid, B I3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              809
_journal_page_last               810
_journal_paper_doi
10.1002/1521-3749(200105)627:5<809::AID-ZAAC809>3.0.CO;2-J
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'B I3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.9909
_cell_length_b                   6.9909
_cell_length_c                   7.3642
_cell_volume                     311.690
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_294.cif
_cod_data_source_block           B1I3
_cod_original_cell_volume        311.6897
_cod_original_formula_sum        'B1 I3'
_cod_database_code               1511188
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
B1 B+3 0.3333 0.6667 0.25 1 0.0
I1 I-1 0.0393 0.357 0.25 1 0.0
