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: Tsl2y
;
_database_code_amcsd 0003942
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.786 Ca.021 K.008 Al7.23 Li.849 Mn.897 Ti.033 Zn.009 Si5.976 B3.006 F.648 O30.352 H3.352'
_cell_length_a 15.9055
_cell_length_b 15.9055
_cell_length_c 7.1270
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1561.464
_exptl_crystal_density_diffrn      3.105
_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   0.23267   0.78600   0.02250
CaX   0.00000   0.00000   0.23267   0.02100   0.02250
KX   0.00000   0.00000   0.23267   0.00800   0.02250
AlY   0.12318   0.06159   0.62744   0.42200   0.00830
LiY   0.12318   0.06159   0.62744   0.28300   0.00830
MnY   0.12318   0.06159   0.62744   0.28100   0.00830
TiY   0.12318   0.06159   0.62744   0.01100   0.00830
ZnY   0.12318   0.06159   0.62744   0.00300   0.00830
AlZ   0.29758   0.26086   0.61151   0.99100   0.00510
MnZ   0.29758   0.26086   0.61151   0.00900   0.00510
SiT   0.19192   0.18996   0.00000   0.99600   0.00401
AlT   0.19192   0.18996   0.00000   0.00300   0.00401
BT   0.19192   0.18996   0.00000   0.00100   0.00401
B   0.10969   0.21938   0.45457   1.00000   0.00500
F1W   0.00000   0.00000   0.78262   0.64800   0.06000
O-H1W   0.00000   0.00000   0.78262   0.35200   0.06000
O2   0.06091   0.12182   0.48293   1.00000   0.01920
O3V   0.26857   0.13429   0.50990   1.00000   0.01030
O4   0.09335   0.18670   0.07149   1.00000   0.00750
O5   0.18670   0.09335   0.09304   1.00000   0.00790
O6   0.19695   0.18684   0.77565   1.00000   0.00680
O7   0.28554   0.28578   0.08043   1.00000   0.00560
O8   0.20989   0.27071   0.44137   1.00000   0.00720
H3   0.26640   0.13320   0.38180   1.00000   0.09000