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: Tsl2z
;
_database_code_amcsd 0003943
_chemical_compound_source 'Elba, Italy'
_chemical_formula_sum 'Na.776 Ca.025 K.004 Al7.251 Mn.978 Li.78 Ti.033 Zn.012 Si5.922 B3.024 F.525 O30.475 H3.388'
_cell_length_a 15.9137
_cell_length_b 15.9137
_cell_length_c 7.1302
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1563.776
_exptl_crystal_density_diffrn      3.110
_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   0.23166   0.77600   0.02330
CaX   0.00000   0.00000   0.23166   0.02500   0.02330
KX   0.00000   0.00000   0.23166   0.00400   0.02330
AlY   0.12330   0.06165   0.62683   0.42100   0.00890
MnY   0.12330   0.06165   0.62683   0.30400   0.00890
LiY   0.12330   0.06165   0.62683   0.26000   0.00890
TiY   0.12330   0.06165   0.62683   0.01100   0.00890
ZnY   0.12330   0.06165   0.62683   0.00400   0.00890
AlZ   0.29771   0.26099   0.61151   0.98900   0.00560
MnZ   0.29771   0.26099   0.61151   0.01100   0.00560
SiT   0.19195   0.18999   0.00000   0.98700   0.00453
AlT   0.19195   0.18999   0.00000   0.00900   0.00453
BT   0.19195   0.18999   0.00000   0.00400   0.00453
B   0.10975   0.21950   0.45422   1.00000   0.00580
F1W   0.00000   0.00000   0.78207   0.52500   0.06200
O-H1W   0.00000   0.00000   0.78207   0.38800   0.06200
O1W   0.00000   0.00000   0.78207   0.08700   0.06200
O2   0.06098   0.12196   0.48263   1.00000   0.02000
O3V   0.26871   0.13436   0.51005   1.00000   0.01060
O4   0.09330   0.18660   0.07079   1.00000   0.00850
O5   0.18656   0.09328   0.09286   1.00000   0.00840
O6   0.19712   0.18702   0.77570   1.00000   0.00720
O7   0.28555   0.28583   0.08029   1.00000   0.00600
O8   0.20999   0.27077   0.44151   1.00000   0.00760
H3   0.26890   0.13450   0.37790   1.00000   0.08000