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 TM65e
;
_database_code_amcsd 0007048
_chemical_compound_source 'Arendal, Norway'
_chemical_formula_sum 'Na.677 Ca.11 K.01 Mg2.088 Al6.111 Fe.783 Ti.042 Zn.009 Mn.006 V.006 Si5.958 B3 O30.98 F.02 H3.618'
_cell_length_a 15.9541
_cell_length_b 15.9541
_cell_length_c 7.2035
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1587.884
_exptl_crystal_density_diffrn      3.082
_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   0.23291   0.67700
CaX   0.00000   0.00000   0.23291   0.11000
KX   0.00000   0.00000   0.23291   0.01000
MgY   0.12369   0.06185   0.63416   0.37200
AlY   0.12369   0.06185   0.63416   0.36700
Fe2+Y   0.12369   0.06185   0.63416   0.14400
Fe3+Y   0.12369   0.06185   0.63416   0.09700
Ti4+Y   0.12369   0.06185   0.63416   0.01400
ZnY   0.12369   0.06185   0.63416   0.00300
Mn2+Y   0.12369   0.06185   0.63416   0.00200
V3+Y   0.12369   0.06185   0.63416   0.00200
AlZ   0.29806   0.26168   0.61130   0.82800
MgZ   0.29806   0.26168   0.61130   0.16200
Fe3+Z   0.29806   0.26168   0.61130   0.01000
SiT   0.19179   0.18987   0.00000   0.99300
AlT   0.19179   0.18987   0.00000   0.00700
B   0.10991   0.21982   0.45476   1.00000
O-H1W   0.00000   0.00000   0.77320   0.61800
O1W   0.00000   0.00000   0.77320   0.36200
F1W   0.00000   0.00000   0.77320   0.02000
O2   0.06095   0.12190   0.48548   1.00000
O-H3V   0.26414   0.13207   0.51073   1.00000
O4   0.09306   0.18612   0.07029   1.00000
O5   0.18431   0.09216   0.09162   1.00000
O6   0.19575   0.18552   0.77751   1.00000
O7   0.28498   0.28473   0.07904   1.00000
O8   0.20938   0.27009   0.44071   1.00000