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: Tsl2g
;
_database_code_amcsd 0003947
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.673 Ca.016 K.007 Al7.278 Mn1.311 Li.447 Ti.042 Si5.922 B3 F.409 O30.591 H3.392'
_cell_length_a 15.9461
_cell_length_b 15.9461
_cell_length_c 7.1380
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1571.868
_exptl_crystal_density_diffrn      3.135
_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   0.22773   0.67300   0.02470
CaX   0.00000   0.00000   0.22773   0.01600   0.02470
KX   0.00000   0.00000   0.22773   0.00700   0.02470
AlY   0.12394   0.06197   0.62407   0.43400   0.01020
MnY   0.12394   0.06197   0.62407   0.40300   0.01020
LiY   0.12394   0.06197   0.62407   0.14900   0.01020
TiY   0.12394   0.06197   0.62407   0.01400   0.01020
AlZ   0.29801   0.26130   0.61129   0.98300   0.00558
MnZ   0.29801   0.26130   0.61129   0.01700   0.00558
SiT   0.19192   0.18993   0.00000   0.98700   0.00456
AlT   0.19192   0.18993   0.00000   0.01300   0.00456
B   0.11008   0.22016   0.45402   1.00000   0.00620
F1W   0.00000   0.00000   0.77933   0.40900   0.06000
O-H1W   0.00000   0.00000   0.77933   0.39200   0.06000
O1W   0.00000   0.00000   0.77933   0.19900   0.06000
O2   0.06136   0.12272   0.48263   1.00000   0.02120
O3V   0.26864   0.13432   0.51008   1.00000   0.01170
O4   0.09350   0.18700   0.06984   1.00000   0.00860
O5   0.18703   0.09352   0.09168   1.00000   0.00900
O6   0.19736   0.18720   0.77556   1.00000   0.00790
O7   0.28538   0.28584   0.08001   1.00000   0.00640
O8   0.21007   0.27096   0.44143   1.00000   0.00810
H3   0.26360   0.13180   0.38650   1.00000   0.13000