data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Bosi F'
'Lucchesi S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 335
_journal_page_last 344
_publ_section_title
;
 Crystal chemistry of the schorl-dravite series
 Note: Tourmaline TMl3l
;
_database_code_amcsd 0007052
_chemical_compound_source 'Cruziero, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.727 K.006 Al6.39 Fe1.665 Mg.906 Ti.048 Mn.024 Zn.018 Li.006 Si5.94 B3 O30.793 F.207 H3'
_cell_length_a 15.9669
_cell_length_b 15.9669
_cell_length_c 7.1745
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1584.030
_exptl_crystal_density_diffrn      3.170
_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
NaX   0.00000   0.00000   0.22897   0.72700
KX   0.00000   0.00000   0.22897   0.00600
AlY   0.12422   0.06211   0.63022   0.31600
Fe3+Y   0.12422   0.06211   0.63022   0.24700
Fe2+Y   0.12422   0.06211   0.63022   0.24200
MgY   0.12422   0.06211   0.63022   0.16200
Ti4+Y   0.12422   0.06211   0.63022   0.01600
Mn2+Y   0.12422   0.06211   0.63022   0.00800
ZnY   0.12422   0.06211   0.63022   0.00600
LiY   0.12422   0.06211   0.63022   0.00200
AlZ   0.29831   0.26168   0.61102   0.89700
MgZ   0.29831   0.26168   0.61102   0.07000
Fe2+Z   0.29831   0.26168   0.61102   0.03300
SiT   0.19182   0.18987   0.00000   0.99000
AlT   0.19182   0.18987   0.00000   0.01000
B   0.11007   0.22014   0.45534   1.00000
O1W   0.00000   0.00000   0.77774   0.79300
F1W   0.00000   0.00000   0.77774   0.20700
O2   0.06133   0.12266   0.48563   1.00000
O-H3V   0.26698   0.13349   0.51063   1.00000
O4   0.09320   0.18640   0.06915   1.00000
O5   0.18598   0.09299   0.09163   1.00000
O6   0.19714   0.18675   0.77649   1.00000
O7   0.28507   0.28537   0.07928   1.00000
O8   0.20970   0.27053   0.44096   1.00000