data_global
_chemical_name_mineral 'Fluor-dravite'
loop_
_publ_author_name
'Camara F'
'Ottolini L'
'Hawthorne F C'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2000
_journal_page_first 1437
_journal_page_last 1442
_publ_section_title
;
 Crystal chemistry of three tourmalines by SREF, EMPA and SIMS
 Sample: Crystal 3
;
_database_code_amcsd 0002915
_chemical_compound_source 'a pegmatite at Minas Gerais, Brazil'
_chemical_formula_sum 'Na.81 Ca.01 K.01 Fe.9 Mg.6 Al6.78 Li.66 Ti.06 Si5.76 B3 O30.45 F.55 H3.42'
_cell_length_a 15.921
_cell_length_b 15.921
_cell_length_c 7.137
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1566.704
_exptl_crystal_density_diffrn      3.084
_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   0.81890   0.81000 ?
CaX   0.00000   0.00000   0.81890   0.01000 ?
KX   0.00000   0.00000   0.81890   0.01000 ?
Fe2Y   0.06220   0.93780   0.42420   0.30000 ?
MgY   0.06220   0.93780   0.42420   0.20000 ?
AlY   0.06220   0.93780   0.42420   0.26000 ?
LiY   0.06220   0.93780   0.42420   0.22000 ?
TiY   0.06220   0.93780   0.42420   0.02000 ?
AlZ   0.26110   0.29780   0.44140   1.00000 ?
SiT   0.18990   0.19190   0.05290   0.96000 ?
B   0.89020   0.10980   0.59770   1.00000 ?
O1   0.00000   0.00000   0.27140   0.03000 ?
O-H1   0.00000   0.00000   0.27140   0.42000 ?
F1   0.00000   0.00000   0.27140   0.55000 ?
O2   0.93890   0.06110   0.56870   1.00000 ?
O-H3   0.13430   0.86570   0.54320   1.00000 ?
O4   0.90680   0.09320   0.98220   1.00000 ?
O5   0.09320   0.90680   0.96030   1.00000 ?
O6   0.18700   0.19710   0.27680   1.00000 ?
O7   0.28570   0.28550   0.97270   1.00000 ?
O8   0.27060   0.20990   0.61150   1.00000 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
NaX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000
CaX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000
KX 0.02500 0.02500 0.01600 0.01200 0.00000 0.00000
Fe2Y 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100
MgY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100
AlY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100
LiY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100
TiY 0.00600 0.00600 0.00800 0.00200 0.00100 -0.00100
AlZ 0.00600 0.00600 0.00400 0.00300 -0.00100 0.00000
SiT 0.00400 0.00400 0.00400 0.00200 0.00000 0.00000
B 0.00600 0.00600 0.00700 0.00300 0.00000 0.00000
O1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000
O-H1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000
F1 0.06200 0.06200 0.01000 0.03100 0.00000 0.00000
O2 0.02200 0.02200 0.01000 0.02000 0.00000 0.00000
O-H3 0.01000 0.01000 0.00600 0.00100 0.00000 0.00000
O4 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000
O5 0.00700 0.00700 0.00700 0.00000 0.00000 0.00000
O6 0.00900 0.00700 0.00400 0.00300 0.00000 0.00000
O7 0.00600 0.00500 0.00600 0.00100 0.00100 0.00000
O8 0.01000 0.00500 0.00800 0.00400 -0.00300 -0.00100