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: 1
;
_database_code_amcsd 0006942
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na.77 Al8.88 Si3.78 B5.22 (O31 H)'
_cell_length_a 15.5996
_cell_length_b 15.5996
_cell_length_c 7.0224
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1479.937
_exptl_crystal_density_diffrn      3.086
_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
NaX   0.00000   0.00000   0.78100   0.77000   0.01646
AlY   0.05980  -0.05980   0.33700   0.96000   0.00633
AlZ   0.26200   0.29710   0.37300   1.00000   0.00633
SiT   0.18760   0.18850   0.98000   0.63000   0.00633
BT   0.18760   0.18850   0.98000   0.37000   0.00633
B   0.89050  -0.89050   0.54100   1.00000   0.00633
O-H1   0.00000   0.00000   0.21500   1.13000   0.01140
O2   0.94130  -0.94130   0.48500   1.00000   0.01140
O3   0.12690  -0.12690   0.47800   1.13000   0.01140
O4   0.90610  -0.90610   0.90700   1.00000   0.01140
O5   0.09350  -0.09350   0.88100   1.00000   0.01140
O6   0.18260   0.19260   0.20000   1.00000   0.01140
O7   0.28230   0.28360   0.91100   1.00000   0.01140
O8   0.26830   0.20900   0.54600   1.00000   0.01140