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 sample TM507c
;
_database_code_amcsd 0007038
_chemical_compound_source 'Olkhon (Lake Baikal), Siberia'
_chemical_formula_sum 'Na.457 Ca.246 K.012 Mg2.55 Al5.37 V.804 Cr.3 Ti.024 Si5.952 B3 O30.919 F.081 H3.536'
_cell_length_a 15.9610
_cell_length_b 15.9610
_cell_length_c 7.2214
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1593.207
_exptl_crystal_density_diffrn      3.079
_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   0.22653   0.45700
CaX   0.00000   0.00000   0.22653   0.24600
KX   0.00000   0.00000   0.22653   0.01200
MgY   0.12375   0.06188   0.63506   0.48600
AlY   0.12375   0.06188   0.63506   0.25400
V3+Y   0.12375   0.06188   0.63506   0.23800
Cr3+Y   0.12375   0.06188   0.63506   0.01400
Ti4+Y   0.12375   0.06188   0.63506   0.00800
AlZ   0.29797   0.26169   0.61137   0.76000
MgZ   0.29797   0.26169   0.61137   0.18200
Cr3+Z   0.29797   0.26169   0.61137   0.04300
V3+Z   0.29797   0.26169   0.61137   0.01500
SiT   0.19154   0.18973   0.00000   0.99200
AlT   0.19154   0.18973   0.00000   0.00800
B   0.10981   0.21962   0.45339   1.00000
O-H1W   0.00000   0.00000   0.77136   0.53600
O1W   0.00000   0.00000   0.77136   0.38300
F1W   0.00000   0.00000   0.77136   0.08100
O2   0.06071   0.12142   0.48327   1.00000
O-H3V   0.26281   0.13140   0.51100   1.00000
O4   0.09277   0.18554   0.07158   1.00000
O5   0.18295   0.09148   0.09182   1.00000
O6   0.19479   0.18510   0.77827   1.00000
O7   0.28476   0.28435   0.07872   1.00000
O8   0.20909   0.26984   0.44037   1.00000