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 TM501e
;
_database_code_amcsd 0007045
_chemical_compound_source 'Kwale, Mombasa, Kenya'
_chemical_formula_sum 'Na.742 K.011 Ca.007 Al6.213 Mg2.208 Fe.54 Ti.021 Cr.006 Zn.003 V.003 Mn.003 Si6 B3 O30.978 F.021 H3.405'
_cell_length_a 15.9267
_cell_length_b 15.9267
_cell_length_c 7.1991
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1581.468
_exptl_crystal_density_diffrn      3.060
_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   0.22976   0.74200
KX   0.00000   0.00000   0.22976   0.01100
CaX   0.00000   0.00000   0.22976   0.00700
AlY   0.12227   0.06114   0.63639   0.43500
MgY   0.12227   0.06114   0.63639   0.42400
Fe3+Y   0.12227   0.06114   0.63639   0.12600
Ti4+Y   0.12227   0.06114   0.63639   0.00700
Fe2+Y   0.12227   0.06114   0.63639   0.00200
Cr3+Y   0.12227   0.06114   0.63639   0.00200
ZnY   0.12227   0.06114   0.63639   0.00100
V3+Y   0.12227   0.06114   0.63639   0.00100
Mn2+Y   0.12227   0.06114   0.63639   0.00100
AlZ   0.29767   0.26147   0.61019   0.81800
MgZ   0.29767   0.26147   0.61019   0.15600
Fe3+Z   0.29767   0.26147   0.61019   0.02600
SiT   0.19155   0.18965   0.00000   1.00000
B   0.10986   0.21972   0.45426   1.00000
O1W   0.00000   0.00000   0.76981   0.57300
O-H1W   0.00000   0.00000   0.76981   0.40500
F1W   0.00000   0.00000   0.76981   0.02100
O2   0.06084   0.12168   0.48728   1.00000
O-H3V   0.26123   0.13061   0.51004   1.00000
O4   0.09355   0.18710   0.07090   1.00000
O5   0.18439   0.09219   0.09244   1.00000
O6   0.19455   0.18427   0.77713   1.00000
O7   0.28512   0.28478   0.07745   1.00000
O8   0.20924   0.27015   0.43933   1.00000