data_global
_chemical_name_mineral 'Boron'
loop_
_publ_author_name
'Hoard J L'
'Hughes R E'
'Sands D E'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 80 
_journal_year 1958
_journal_page_first 4507
_journal_page_last 4515
_publ_section_title
;
 The structure of tetragonal boron
 Sample: needle III
;
_database_code_amcsd 0014101
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B25'
_cell_length_a 8.740
_cell_length_b 8.740
_cell_length_c 5.068
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 387.132
_exptl_crystal_density_diffrn      2.319
_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
_atom_site_U_iso_or_equiv
B1   0.32530   0.08830   0.39850   0.00963
B2   0.22720   0.08050   0.08650   0.00925
B3   0.11950   0.11950   0.37800   0.01001
B4   0.24250   0.24250   0.58150   0.00849
B5   0.00000   0.00000   0.50000   0.00659