data_global
_chemical_name_mineral 'Dravite'
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 TM235b
;
_database_code_amcsd 0007041
_chemical_compound_source 'Beresov Mine, Siberia'
_chemical_formula_sum 'Na.724 Ca.094 K.003 Al6.303 Mg2.064 Fe.576 Ti.063 Zn.012 V.003 Cr.003 Si5.982 B3 O30.954 F.046 H3.572'
_cell_length_a 15.9388
_cell_length_b 15.9388
_cell_length_c 7.2050
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1585.170
_exptl_crystal_density_diffrn      3.071
_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   0.23498   0.72400
CaX   0.00000   0.00000   0.23498   0.09400
KX   0.00000   0.00000   0.23498   0.00300
AlY   0.12457   0.06228   0.63361   0.42900
MgY   0.12457   0.06228   0.63361   0.38400
Fe2+Y   0.12457   0.06228   0.63361   0.16200
Ti4+Y   0.12457   0.06228   0.63361   0.02100
ZnY   0.12457   0.06228   0.63361   0.00400
V3+Y   0.12457   0.06228   0.63361   0.00100
Cr3+Y   0.12457   0.06228   0.63361   0.00100
AlZ   0.29805   0.26158   0.61157   0.83300
MgZ   0.29805   0.26158   0.61157   0.15200
Fe3+Z   0.29805   0.26158   0.61157   0.01200
Fe2+Z   0.29805   0.26158   0.61157   0.00300
SiT   0.19177   0.18985   0.00000   0.99700
AlT   0.19177   0.18985   0.00000   0.00300
B   0.10976   0.21952   0.45507   1.00000
O-H1W   0.00000   0.00000   0.77293   0.57200
O1W   0.00000   0.00000   0.77293   0.38200
F1W   0.00000   0.00000   0.77293   0.04600
O2   0.06081   0.12162   0.48753   1.00000
O-H3V   0.26373   0.13186   0.51141   1.00000
O4   0.09306   0.18612   0.07048   1.00000
O5   0.18431   0.09216   0.09189   1.00000
O6   0.19546   0.18516   0.77772   1.00000
O7   0.28506   0.28497   0.07892   1.00000
O8   0.20920   0.26991   0.44101   1.00000