data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Marler B'
'Borowski M'
'Wodara U'
'Schreyer W'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 14 
_journal_year 2002
_journal_page_first 763
_journal_page_last 771
_publ_section_title
;
 Synthetic tourmaline (olenite) with excess boron replacing silicon in the
 tetrahedral site: II. Structure analysis
 Sample: 2
;
_database_code_amcsd 0006943
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na.67 Al8.88 Si4.2 B4.8 (O31 H)'
_cell_length_a 15.6329
_cell_length_b 15.6329
_cell_length_c 7.0365
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1489.246
_exptl_crystal_density_diffrn      3.084
_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'
  '-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
Na   0.00000   0.00000   0.77900   0.67000   0.01646
Al1   0.06000  -0.06000   0.33900   0.96000   0.00633
Al2   0.26160   0.29700   0.37400   1.00000   0.00633
Si1   0.18780   0.18890   0.98000   0.70000   0.00633
B1   0.18880   0.18900   0.98000   0.30000   0.00633
B2   0.89150  -0.89150   0.53800   1.00000   0.00633
O-H1   0.00000   0.00000   0.21800   1.13000   0.01140
O2   0.94110  -0.94110   0.49000   1.00000   0.01140
O3   0.12690  -0.12690   0.47900   1.13000   0.01140
O4   0.90510  -0.90510   0.90400   1.00000   0.01140
O5   0.09340  -0.09340   0.88800   1.00000   0.01140
O6   0.18260   0.19220   0.20600   1.00000   0.01140
O7   0.28340   0.28480   0.90800   1.00000   0.01140
O8   0.26890   0.20880   0.54600   1.00000   0.01140