#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/34/9013419.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_9013419
loop_
_publ_author_name
'Zarechnaya, E. Y.'
'Dubrovinsky, L.'
'Dubrovinskaia, N.'
'Filinchuk, Y.'
'Chernyshov, D.'
'Dmitriev, V.'
'Miyajima, N.'
'El Goresy, A.'
'Braun, H. F.'
'Van Smaalen, S.'
'Kantor, I.'
'Kantor, A.'
'Prakapenka, V.'
'Hanfland, M.'
'Mikhaylushkin, A. S.'
'Abrikosov, I. A.'
'Simak, S. I.'
_publ_section_title
;
 Superhard semiconducting optically transparent high pressure phase of boron
 Note: crystal quenched from 20 GPa, 1700 K
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              185501
_journal_page_last               1185501-4
_journal_paper_doi               10.1103/PhysRevLett.102.185501
_journal_volume                  102
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_common            Boron
_chemical_name_mineral           Boron
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0576
_cell_length_b                   5.6245
_cell_length_c                   6.9884
_cell_formula_units_Z            28
_cell_volume                     198.795
_database_code_amcsd             0015285
_exptl_crystal_density_diffrn    2.529
_exptl_crystal_pressure_history  'quenched from 20 GPa'
_exptl_crystal_thermal_history   'quenched from 20 GPa, 1700 K'
_cod_database_code               9013419
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
B1 0.15390 0.59380 0.79240
B2 0.64690 0.72840 0.50000
B3 0.33620 0.50760 0.00000
B4 0.83910 0.71890 0.87370
B5 0.66900 0.98230 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015285
