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 TMl4aa
;
_database_code_amcsd 0007053
_chemical_compound_source 'Cruziero, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.712 K.009 Al6.429 Fe1.617 Mg.879 Ti.051 Mn.027 Zn.024 Li.012 Si5.964 B3 O30.843 F.157 H3.14'
_cell_length_a 15.9664
_cell_length_b 15.9664
_cell_length_c 7.1758
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1584.218
_exptl_crystal_density_diffrn      3.166
_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   0.22844   0.71200
KX   0.00000   0.00000   0.22844   0.00900
AlY   0.12399   0.06199   0.63070   0.37900
Fe2+Y   0.12399   0.06199   0.63070   0.36500
MgY   0.12399   0.06199   0.63070   0.11500
Fe3+Y   0.12399   0.06199   0.63070   0.10400
Ti4+Y   0.12399   0.06199   0.63070   0.01700
Mn2+Y   0.12399   0.06199   0.63070   0.00900
ZnY   0.12399   0.06199   0.63070   0.00800
LiY   0.12399   0.06199   0.63070   0.00400
AlZ   0.29828   0.26164   0.61100   0.87600
MgZ   0.29828   0.26164   0.61100   0.08900
Fe3+Z   0.29828   0.26164   0.61100   0.03500
SiT   0.19182   0.18989   0.00000   0.99400
AlT   0.19182   0.18989   0.00000   0.00600
B   0.11022   0.22044   0.45478   1.00000
O1W   0.00000   0.00000   0.77812   0.70300
F1W   0.00000   0.00000   0.77812   0.15700
O-H1W   0.00000   0.00000   0.77812   0.14000
O2   0.06138   0.12276   0.48610   1.00000
O-H3V   0.26658   0.13329   0.51046   1.00000
O4   0.09323   0.18646   0.06933   1.00000
O5   0.18610   0.09305   0.09110   1.00000
O6   0.19691   0.18673   0.77645   1.00000
O7   0.28504   0.28535   0.07914   1.00000
O8   0.20966   0.27054   0.44110   1.00000