#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/16/1511618.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_1511618
loop_
_publ_author_name
'Woerle, M.'
'von Schnering, H.G.'
'Mair, G.'
'Nesper, R.'
_publ_section_title
;
 Dilithium hexaboride, Li2 B6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1207
_journal_page_last               1211
_journal_paper_doi
10.1002/(SICI)1521-3749(199907)625:7<1207::AID-ZAAC1207>3.0.CO;2-9
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'B6 Li2'
_chemical_name_systematic        'Li2 B6'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.975
_cell_length_b                   5.975
_cell_length_c                   4.189
_cell_volume                     149.550
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron4-x_270.cif
_cod_data_source_block           B6Li2
_cod_original_cell_volume        149.5499
_cod_database_code               1511618
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z
y+1/2,x+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z
-y-1/2,-x-1/2,z
x-1/2,-y-1/2,z
y-1/2,x-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
B2 B 0.13764 0.15876 0 1 0.0
Li2 Li 0 0.5 0.147 0.198 0.0
Li1 Li 0.1787 0.6787 0.5 0.802 0.0
B1 B 0 0 0.2948 1 0.0
