data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Ertl A'
'Hughes J M'
'Prowatke S'
'Rossman G R'
'London D'
'Fritz E A'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 1369
_journal_page_last 1376
_publ_section_title
;
 Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
 relations to synthetic solid solutions
 Note: This sample may be named wrong
 Sample BT
;
_database_code_amcsd 0003156
_chemical_compound_source 'Eibenstein an der Thaya, Lower Austria'
_chemical_formula_sum 'Na.693 Ca.011 K.002 Al7.308 Mn1.233 Fe.021 Li.378 Si5.928 B3 O30.57 F.48 H3.25'
_cell_length_a 15.9466
_cell_length_b 15.9466
_cell_length_c 7.1384
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1572.055
_exptl_crystal_density_diffrn      3.123
_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   0.25000   0.69300   0.02760
CaX   0.00000   0.00000   0.25000   0.01100   0.02760
KX   0.00000   0.00000   0.25000   0.00200   0.02760
AlY   0.12442   0.06221  -0.35850   0.41200   0.01130
Mn2Y   0.12442   0.06221  -0.35850   0.41100   0.01130
Fe2Y   0.12442   0.06221  -0.35850   0.00700   0.01130
LiY   0.12442   0.06221  -0.35850   0.12600   0.01130
AlZ   0.29797   0.26132  -0.37020   1.00000   0.00650
SiT   0.19196   0.19011   0.01780   0.98800   0.00540
AlT   0.19196   0.19011   0.01780   0.01200   0.00540
B   0.11005   0.22010   0.47070   1.00000   0.01030
O1   0.00000   0.00000  -0.20070   0.32000   0.04600
F1   0.00000   0.00000  -0.20070   0.48000   0.04600
O-H1   0.00000   0.00000  -0.20070   0.25000   0.04600
O2   0.06171   0.12340   0.49760   1.00000   0.02260
O3   0.26890   0.13446  -0.47160   1.00000   0.01210
O4   0.09324   0.18650   0.08840   1.00000   0.01060
O5   0.18740   0.09368   0.11110   1.00000   0.00970
O6   0.19796   0.18771  -0.20720   1.00000   0.00930
O7   0.28540   0.28610   0.09850   1.00000   0.00740
O8   0.21028   0.27110   0.45910   1.00000   0.00990
H3   0.26800   0.13400   0.43900   1.00000   0.01200