#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511458.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_1511458
loop_
_publ_author_name
'Becher, H.J.'
'Schaefer, A.'
_publ_section_title
;
 Darstellung und Struktur des Berylliumborids Be4 B
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              304
_journal_page_last               312
_journal_paper_doi               10.1002/zaac.19623180509
_journal_volume                  318
_journal_year                    1962
_chemical_formula_sum            'B Be4'
_chemical_name_systematic        'Be4 B'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.369
_cell_length_b                   3.369
_cell_length_c                   7.05
_cell_volume                     80.019
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_85.cif
_cod_data_source_block           B1Be4
_cod_original_cell_volume        80.01864
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'B1 Be4'
_cod_database_code               1511458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,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
Be3 Be 0 0 0 1 0.0
Be1 Be 0 0.5 0.481 1 0.0
B1 B 0 0.5 0.169 1 0.0
Be2 Be 0 0 0.304 1 0.0
