data_global
_chemical_name_mineral 'Boron'
loop_
_publ_author_name
'Parakhonskiy G'
'Dubrovinskaia N'
'Bykova E'
'Wirth R'
'Dubrovinsky L'
_journal_name_full 'High Pressure Research'
_journal_volume 33 
_journal_year 2013
_journal_page_first 673
_journal_page_last 683
_publ_section_title
;
 High pressure synthesis and investigation of single crystals
 of metastable boron phases
 Note: alpha-tetragonal phase
;
_database_code_amcsd 0020599
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B25'
_cell_length_a 8.708
_cell_length_b 8.708
_cell_length_c 5.0750
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 384.834
_exptl_crystal_density_diffrn      2.332
_symmetry_space_group_name_H-M 'P 42/n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  'y,x,z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-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   0.12390   0.12390   0.36850
B3   0.24580   0.24580   0.58970
B4   0.31610   0.10420   0.39070
B5   0.22880   0.08270   0.08190