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 TM235a
;
_database_code_amcsd 0007040
_chemical_compound_source 'Beresov Mine, Siberia'
_chemical_formula_sum 'Na.751 Ca.077 K.004 Al6.228 Mg2.085 Fe.6 Ti.084 Zn.009 V.003 Mn.003 Si5.988 B3 O30.996 F.004 H3.632'
_cell_length_a 15.9433
_cell_length_b 15.9433
_cell_length_c 7.2095
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1587.056
_exptl_crystal_density_diffrn      3.070
_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   0.23599   0.75100
CaX   0.00000   0.00000   0.23599   0.07700
KX   0.00000   0.00000   0.23599   0.00400
AlY   0.12464   0.06232   0.63334   0.41000
MgY   0.12464   0.06232   0.63334   0.39300
Fe2+Y   0.12464   0.06232   0.63334   0.16300
Ti4+Y   0.12464   0.06232   0.63334   0.02800
ZnY   0.12464   0.06232   0.63334   0.00300
V3+Y   0.12464   0.06232   0.63334   0.00100
Mn2+Y   0.12464   0.06232   0.63334   0.00100
Fe3+Y   0.12464   0.06232   0.63334   0.00100
AlZ   0.29814   0.26164   0.61171   0.83100
MgZ   0.29814   0.26164   0.61171   0.15100
Fe3+Z   0.29814   0.26164   0.61171   0.01200
Fe2+Z   0.29814   0.26164   0.61171   0.00600
SiT   0.19180   0.18989   0.00000   0.99800
AlT   0.19180   0.18989   0.00000   0.00200
B   0.10984   0.21968   0.45545   1.00000
O-H1W   0.00000   0.00000   0.77311   0.63200
O1W   0.00000   0.00000   0.77311   0.36400
F1W   0.00000   0.00000   0.77311   0.00400
O2   0.06087   0.12174   0.48727   1.00000
O-H3V   0.26410   0.13205   0.51171   1.00000
O4   0.09295   0.18590   0.07048   1.00000
O5   0.18410   0.09205   0.09170   1.00000
O6   0.19557   0.18533   0.77795   1.00000
O7   0.28494   0.28481   0.07922   1.00000
O8   0.20919   0.26992   0.44110   1.00000