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 TM9840f
;
_database_code_amcsd 0007055
_chemical_compound_source 'Lake Baikal, Siberia'
_chemical_formula_sum 'Na.594 Ca.187 K.013 Al6.291 Mg2.214 Fe.342 Ti.144 V.039 Mn.012 Zn.006 Cr.006 Si5.952 B3 O30.946 F.054 H3.442'
_cell_length_a 15.9303
_cell_length_b 15.9303
_cell_length_c 7.1951
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1581.304
_exptl_crystal_density_diffrn      3.068
_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   0.22666   0.59400
CaX   0.00000   0.00000   0.22666   0.18700
KX   0.00000   0.00000   0.22666   0.01300
AlY   0.12321   0.06160   0.63495   0.41700
MgY   0.12321   0.06160   0.63495   0.40800
Fe2+Y   0.12321   0.06160   0.63495   0.11400
Ti4+Y   0.12321   0.06160   0.63495   0.04800
V3+Y   0.12321   0.06160   0.63495   0.00500
Mn2+Y   0.12321   0.06160   0.63495   0.00400
ZnY   0.12321   0.06160   0.63495   0.00200
Cr3+Y   0.12321   0.06160   0.63495   0.00200
AlZ   0.29780   0.26144   0.61059   0.83200
MgZ   0.29780   0.26144   0.61059   0.16500
V3+Z   0.29780   0.26144   0.61059   0.00400
SiT   0.19170   0.18983   0.00000   0.99200
AlT   0.19170   0.18983   0.00000   0.00800
B   0.10982   0.21964   0.45361   1.00000
O1W   0.00000   0.00000   0.77225   0.50400
O-H1W   0.00000   0.00000   0.77225   0.44200
F1W   0.00000   0.00000   0.77225   0.05400
O2   0.06073   0.12146   0.48591   1.00000
O-H3V   0.26260   0.13130   0.51039   1.00000
O4   0.09314   0.18628   0.07129   1.00000
O5   0.18396   0.09198   0.09306   1.00000
O6   0.19489   0.18477   0.77720   1.00000
O7   0.28522   0.28486   0.07817   1.00000
O8   0.20929   0.27004   0.43956   1.00000