data_global
_chemical_name_mineral 'Dravite'
loop_
_publ_author_name
'Bosi F'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1647
_journal_page_last 1653
_publ_section_title
;
 Disordering of Fe2+ over octahedrally coordinated sites of tourmaline
;
_database_code_amcsd 0004680
_chemical_compound_source 'Uto Island, south of Stockholm, Sweden'
_chemical_formula_sum 'Na.64 Ca.29 K.01 Mg2.241 Fe1.449 Al5.28 Mn.021 Ti.009 B3 Si6 O30.92 F.08 H3.54'
_cell_length_a 15.9875
_cell_length_b 15.9875
_cell_length_c 7.2372
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1601.999
_exptl_crystal_density_diffrn      3.131
_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
_atom_site_U_iso_or_equiv
NaX   0.00000   0.00000   0.22803   0.64000   0.01210
CaX   0.00000   0.00000   0.22803   0.29000   0.01210
KX   0.00000   0.00000   0.22803   0.01000   0.01210
MgY   0.12314   0.06157   0.63654   0.42700   0.00720
FeY   0.12314   0.06157   0.63654   0.38300   0.00720
AlY   0.12314   0.06157   0.63654   0.18000   0.00720
MnY   0.12314   0.06157   0.63654   0.00700   0.00720
TiY   0.12314   0.06157   0.63654   0.00300   0.00720
AlZ   0.29818   0.26182   0.61179   0.79000   0.00540
MgZ   0.29818   0.26182   0.61179   0.16000   0.00540
FeZ   0.29818   0.26182   0.61179   0.05000   0.00540
B   0.11004   0.22008   0.45391   1.00000   0.00670
SiT   0.19155   0.18979   0.00000   1.00000   0.00500
O1W   0.00000   0.00000   0.77405   0.38000   0.01180
O-H1W   0.00000   0.00000   0.77405   0.54000   0.01180
FO1W   0.00000   0.00000   0.77405   0.08000   0.01180
O2   0.06076   0.12152   0.48109   1.00000   0.00990
O3V   0.26447   0.13224   0.51197   1.00000   0.01150
O4   0.09254   0.18508   0.07090   1.00000   0.00980
O5   0.18277   0.09138   0.09062   1.00000   0.00990
O6   0.19543   0.18604   0.77857   1.00000   0.00840
O7   0.28443   0.28420   0.07916   1.00000   0.00870
O8   0.20917   0.26991   0.44095   1.00000   0.01020
H   0.25100   0.12550   0.38880   1.00000   0.04000