#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/22/9012288.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012288
loop_
_publ_author_name
'Hoard, J. L.'
'Geller, S.'
'Hughes, R. E.'
_publ_section_title
;
 On the structure of elementary boron
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1892
_journal_page_last               1893
_journal_paper_doi               10.1021/ja01148a555
_journal_volume                  73
_journal_year                    1951
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_common            Boron
_chemical_name_mineral           Boron
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.73
_cell_length_b                   8.73
_cell_length_c                   5.03
_cell_formula_units_Z            52
_cell_volume                     383.351
_database_code_amcsd             0014080
_exptl_crystal_density_diffrn    2.435
_cod_database_code               9012288
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+x,1/2-y,1/2+z
-x,-y,z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-x,1/2+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
B1 0.00000 0.00000 0.50000
B2 0.50000 0.50000 0.00000
B3 0.32800 0.09500 0.39500
B4 0.09500 0.32800 0.39500
B5 0.22300 0.07800 0.10500
B6 0.07800 0.22300 0.10500
B7 0.12700 0.12700 0.39500
B8 0.25000 0.25000 -0.07800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014080
