data_9005664
_chemical_name 'Oxy-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
 Locality: Lake Baikal, Siberia
;
_chemical_formula_sum 'Na.594 Ca.187 K.013 Al6.291 Mg2.214 Fe.342 Ti.144 V.039 M
_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
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_symmetry_equiv_pos_as_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
O3V   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