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: Tsl2w
;
_database_code_amcsd 0003944
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.758 Ca.029 K.009 Al7.269 Mn1.074 Li.711 Ti.042 B3 Si5.904 F.538 O30.462 H3.393'
_cell_length_a 15.9243
_cell_length_b 15.9243
_cell_length_c 7.1323
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1566.322
_exptl_crystal_density_diffrn      3.118
_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   0.23014   0.75800   0.02270
CaX   0.00000   0.00000   0.23014   0.02900   0.02270
KX   0.00000   0.00000   0.23014   0.00900   0.02270
AlY   0.12349   0.06175   0.62602   0.41300   0.00830
MnY   0.12349   0.06175   0.62602   0.33600   0.00830
LiY   0.12349   0.06175   0.62602   0.23700   0.00830
TiY   0.12349   0.06175   0.62602   0.01400   0.00830
AlZ   0.29780   0.26112   0.61148   0.98900   0.00480
MnZ   0.29780   0.26112   0.61148   0.01100   0.00480
B   0.10982   0.21964   0.45407   1.00000   0.00460
SiT   0.19195   0.19000   0.00000   0.98400   0.00377
AlT   0.19195   0.19000   0.00000   0.01600   0.00377
F1W   0.00000   0.00000   0.78168   0.53800   0.06200
O-H1W   0.00000   0.00000   0.78168   0.39300   0.06200
O1W   0.00000   0.00000   0.78168   0.06900   0.06200
O2   0.06105   0.12210   0.48194   1.00000   0.01940
O3V   0.26892   0.13446   0.50987   1.00000   0.00990
O4   0.09335   0.18670   0.07076   1.00000   0.00740
O5   0.18651   0.09326   0.09263   1.00000   0.00790
O6   0.19724   0.18712   0.77553   1.00000   0.00660
O7   0.28553   0.28579   0.08038   1.00000   0.00540
O8   0.20995   0.27074   0.44136   1.00000   0.00690
H3   0.26090   0.13050   0.38670   1.00000   0.03000