data_global
_chemical_name_mineral 'Boron'
loop_
_publ_author_name
'Oganov A R'
'Chen J'
'Gatti C'
'Ma Y'
'Ma Y'
'Glass C W'
'Liu Z'
'Yu T'
'Kurakevych O O'
'Solozhenko V L'
_journal_name_full 'Nature'
_journal_volume 457 
_journal_year 2009
_journal_page_first 863
_journal_page_last 867
_publ_section_title
;
 Ionic high-pressure form of elemental boron
 Note: theoretical calculation
;
_database_code_amcsd 0014681
_chemical_formula_sum 'B7'
_cell_length_a 5.054
_cell_length_b 5.620
_cell_length_c 6.987
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 198.455
_exptl_crystal_density_diffrn      2.533
_symmetry_space_group_name_H-M 'P n n m'
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   0.17020   0.52060   0.00000
B2   0.16060   0.28100   0.37430
B3   0.34720   0.09240   0.20930
B4   0.35200   0.27110   0.00000
B5   0.16440   0.00800   0.00000