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 TM9840c
;
_database_code_amcsd 0007054
_chemical_compound_source 'Lake Baikal, Siberia'
_chemical_formula_sum 'Na.605 Ca.151 K.01 Mg2.184 Al6.339 Fe.348 Ti.129 V.024 Zn.021 Mn.012 Cr.003 Si5.94 B3 O30.93 F.07 H3.51'
_cell_length_a 15.9341
_cell_length_b 15.9341
_cell_length_c 7.1890
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1580.717
_exptl_crystal_density_diffrn      3.065
_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   0.22767   0.60500
CaX   0.00000   0.00000   0.22767   0.15100
KX   0.00000   0.00000   0.22767   0.01000
MgY   0.12347   0.06174   0.63424   0.41800
AlY   0.12347   0.06174   0.63424   0.40700
Fe2+Y   0.12347   0.06174   0.63424   0.11200
Ti4+Y   0.12347   0.06174   0.63424   0.04300
V3+Y   0.12347   0.06174   0.63424   0.00800
ZnY   0.12347   0.06174   0.63424   0.00700
Mn2+Y   0.12347   0.06174   0.63424   0.00400
Cr3+Y   0.12347   0.06174   0.63424   0.00100
AlZ   0.29782   0.26148   0.61075   0.84300
MgZ   0.29782   0.26148   0.61075   0.15500
Fe2+Z   0.29782   0.26148   0.61075   0.00200
SiT   0.19174   0.18985   0.00000   0.99000
AlT   0.19174   0.18985   0.00000   0.01000
B   0.10983   0.21966   0.45398   1.00000
O-H1W   0.00000   0.00000   0.77326   0.51000
O1W   0.00000   0.00000   0.77326   0.42000
F1W   0.00000   0.00000   0.77326   0.07000
O2   0.06082   0.12164   0.48612   1.00000
O-H3V   0.26311   0.13156   0.51025   1.00000
O4   0.09327   0.18654   0.07121   1.00000
O5   0.18405   0.09202   0.09253   1.00000
O6   0.19517   0.18510   0.77699   1.00000
O7   0.28522   0.28490   0.07853   1.00000
O8   0.20931   0.27006   0.44004   1.00000