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 TM112a
;
_database_code_amcsd 0007042
_chemical_compound_source 'Haddam, Connecticut, U.S.A.'
_chemical_formula_sum 'Na.558 Ca.257 K.002 Mg2.013 Al6.198 Fe.834 Ti.054 Zn.009 V.009 Cr.009 Mn.003 Si5.856 B3 O30.874 F.126 H3.47'
_cell_length_a 15.9633
_cell_length_b 15.9633
_cell_length_c 7.1942
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1587.663
_exptl_crystal_density_diffrn      3.097
_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   0.22916   0.55800
CaX   0.00000   0.00000   0.22916   0.25700
KX   0.00000   0.00000   0.22916   0.00200
MgY   0.12444   0.06222   0.63271   0.43300
AlY   0.12444   0.06222   0.63271   0.29200
Fe2+Y   0.12444   0.06222   0.63271   0.15000
Fe3+Y   0.12444   0.06222   0.63271   0.09400
Ti4+Y   0.12444   0.06222   0.63271   0.01800
ZnY   0.12444   0.06222   0.63271   0.00300
V3+Y   0.12444   0.06222   0.63271   0.00300
Cr3+Y   0.12444   0.06222   0.63271   0.00300
Mn2+Y   0.12444   0.06222   0.63271   0.00100
AlZ   0.29813   0.26169   0.61180   0.86300
MgZ   0.29813   0.26169   0.61180   0.11900
Fe3+Z   0.29813   0.26169   0.61180   0.01700
SiT   0.19192   0.19005   0.00000   0.97600
AlT   0.19192   0.19005   0.00000   0.02400
B   0.10987   0.21974   0.45418   1.00000
O-H1W   0.00000   0.00000   0.77627   0.47000
O1W   0.00000   0.00000   0.77627   0.40400
F1W   0.00000   0.00000   0.77627   0.12600
O2   0.06094   0.12188   0.48253   1.00000
O-H3V   0.26636   0.13318   0.51132   1.00000
O4   0.09273   0.18546   0.07058   1.00000
O5   0.18376   0.09188   0.09213   1.00000
O6   0.19629   0.18643   0.77720   1.00000
O7   0.28517   0.28494   0.08007   1.00000
O8   0.20950   0.27022   0.44133   1.00000