data_global
_chemical_name_mineral 'Boron'
loop_
_publ_author_name
'Hoard J L'
'Sullenger D B'
'Kennard C H L'
'Hughes R E'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 1 
_journal_year 1970
_journal_page_first 268
_journal_page_last 277
_publ_section_title
;
 The structure analysis of beta-rhombohedral boron
;
_database_code_amcsd 0013290
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B35'
_cell_length_a 10.944
_cell_length_b 10.944
_cell_length_c 23.81
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2469.689
_exptl_crystal_density_diffrn      2.290
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B1   0.17300   0.17420   0.17680   1.00000   0.00614
B2   0.31890   0.29660   0.12910   1.00000   0.00681
B3   0.26070   0.21720   0.41990   1.00000   0.00607
B4   0.23510   0.25060   0.34730   1.00000   0.00790
B5   0.05490   0.10970  -0.05600   1.00000   0.00698
B6   0.08670   0.17350   0.01300   1.00000   0.00776
B7   0.10910   0.21820  -0.11400   1.00000   0.00595
B8   0.17030   0.34060   0.02810   1.00000   0.00789
B9   0.12850   0.25700  -0.23380   1.00000   0.00721
B10   0.10220   0.20440  -0.30200   1.00000   0.00441
B11   0.05620   0.11250   0.32670   1.00000   0.00524
B12   0.08940   0.17880   0.39900   1.00000   0.00447
B13   0.05740   0.11480  -0.44600   0.66667   0.00988
B14   0.00000   0.00000   0.38520   1.00000   0.00344
B15   0.00000   0.00000   0.50000   1.00000   0.01665
B16   0.05460   0.10930   0.11660   0.33333   0.02462