data_global
_chemical_name_mineral 'Fluor-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 TM504c
;
_database_code_amcsd 0007049
_chemical_compound_source 'Olkhon (Lake Baikal), Siberia'
_chemical_formula_sum 'Na.477 Ca.412 K.015 Mg2.784 Al5.262 V.831 Cr.168 Ti.027 Zn.015 Fe.006 Mn.003 Si5.91 B3 O30.685 F.314 H3.248'
_cell_length_a 15.9706
_cell_length_b 15.9706
_cell_length_c 7.2276
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1596.494
_exptl_crystal_density_diffrn      3.090
_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   0.22556   0.47700
CaX   0.00000   0.00000   0.22556   0.41200
KX   0.00000   0.00000   0.22556   0.01500
MgY   0.12391   0.06196   0.63460   0.55200
AlY   0.12391   0.06196   0.63460   0.21000
V3+Y   0.12391   0.06196   0.63460   0.19100
Cr3+Y   0.12391   0.06196   0.63460   0.03200
Ti4+Y   0.12391   0.06196   0.63460   0.00900
ZnY   0.12391   0.06196   0.63460   0.00500
Fe2+Y   0.12391   0.06196   0.63460   0.00200
Mn2+Y   0.12391   0.06196   0.63460   0.00100
AlZ   0.29797   0.26170   0.61193   0.75700
MgZ   0.29797   0.26170   0.61193   0.18800
V3+Z   0.29797   0.26170   0.61193   0.04300
Cr3+Z   0.29797   0.26170   0.61193   0.01200
SiT   0.19155   0.18983   0.00000   0.98500
AlT   0.19155   0.18983   0.00000   0.01500
B   0.10997   0.21994   0.45295   1.00000
O1W   0.00000   0.00000   0.77105   0.43700
F1W   0.00000   0.00000   0.77105   0.31400
O-H1W   0.00000   0.00000   0.77105   0.24800
O2   0.06065   0.12130   0.48040   1.00000
O-H3V   0.26391   0.13195   0.51134   1.00000
O4   0.09247   0.18494   0.07196   1.00000
O5   0.18241   0.09121   0.09172   1.00000
O6   0.19466   0.18554   0.77861   1.00000
O7   0.28469   0.28413   0.07913   1.00000
O8   0.20900   0.26985   0.44107   1.00000