data_global
_chemical_name_mineral 'Fluor-elbaite'
loop_
_publ_author_name
'Bosi F'
'Agrosi G'
'Lucchesi S'
'Melchiorre G'
'Scandale E'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1661
_journal_page_last 1668
_publ_section_title
;
 Mn-tourmaline from island of Elba (Italy): Crystal chemistry.
 Sample: Elb2rim
;
_database_code_amcsd 0003941
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.558 Ca.125 Al7.665 Li1.248 Fe.042 Mn.045 Si5.91 B3.09 F.51 O30.49 H3.637'
_cell_length_a 15.8232
_cell_length_b 15.8232
_cell_length_c 7.0960
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1538.625
_exptl_crystal_density_diffrn      3.039
_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   0.23197   0.55800   0.01510
CaX   0.00000   0.00000   0.23197   0.12500   0.01510
AlY   0.12281   0.06141   0.63493   0.55500   0.00650
LiY   0.12281   0.06141   0.63493   0.41600   0.00650
FeY   0.12281   0.06141   0.63493   0.01400   0.00650
MnY   0.12281   0.06141   0.63493   0.01500   0.00650
AlZ   0.29677   0.26010   0.60947   1.00000   0.00504
SiT   0.19173   0.18971   0.00000   0.98500   0.00431
BT   0.19173   0.18971   0.00000   0.01500   0.00431
B   0.10901   0.21802   0.45411   1.00000   0.00460
F1W   0.00000   0.00000   0.77928   0.51000   0.03150
O-H1W   0.00000   0.00000   0.77928   0.49000   0.03150
O2   0.06031   0.12062   0.48895   0.95100   0.01340
O-H2   0.06031   0.12062   0.48895   0.04900   0.01340
O3V   0.26463   0.13232   0.50717   1.00000   0.01210
O4   0.09352   0.18704   0.07346   1.00000   0.00820
O5   0.18686   0.09343   0.09576   1.00000   0.00860
O6   0.19507   0.18476   0.77465   1.00000   0.00640
O7   0.28623   0.28591   0.07804   1.00000   0.00560
O8   0.20954   0.26996   0.43888   1.00000   0.00640
H3   0.25650   0.12830   0.36900   1.00000   0.05000