data_164659-ICSD
#©2011 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                164659
_audit_creation_date               2010/02/01
_chemical_name_systematic          'Boron (28) - Hp'
_chemical_formula_structural       B28
_chemical_formula_sum              B28
_publ_section_title
;
Superhard semiconducting optically transparent high pressure phase of 
boron
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review Letters' 2009 102 185501-1 185501-3 PRLTAO
_publ_author_name
;
Zarechnaya, E.Yu.;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.
;
_cell_length_a                     5.04
_cell_length_b                     5.61
_cell_length_c                     6.92
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       195.66
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x+1/2, -y+1/2, z+1/2'
  2	'-x+1/2, y+1/2, z+1/2'
  3	'x, y, -z'
  4	'-x, -y, -z'
  5	'-x+1/2, y+1/2, -z+1/2'
  6	'x+1/2, -y+1/2, -z+1/2'
  7	'-x, -y, z'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
B0+	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
B1 B0+ 8 h 0.15 0.59 0.79 1 0 
B2 B0+ 4 g 0.65 0.73 0.5000 1 0 
B3 B0+ 4 g 0.34 0.51 0.0000 1 0 
B4 B0+ 8 h 0.84 0.72 0.87 1 0 
B5 B0+ 4 g 0.67 0.98 0.0000 1 0 

#End of data_164659-ICSD


