data_global
_chemical_name_mineral 'Fluor-elbaite'
loop_
_publ_author_name
'Ertl A'
'Schuster R'
'Hughes J M'
'Ludwig T'
'Meyer H-P'
'Finger F'
'Dyar M D'
'Ruschel K'
'Rossman G R'
'Klotzli U'
'Brandstatter F'
'Lengauer C L'
'Tillmanns E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 695
_journal_page_last 715
_publ_section_title
;
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample MAP12
;
_database_code_amcsd 0019403
_chemical_compound_source 'Maigen, Moldanubian nappes, Lower Austria'
_chemical_formula_sum 'Na.84 Ca.02 Al7.392 Li.78 Mn.651 Ti.009 Si5.922 B3.042 F.81 O30.19 H3.19'
_cell_length_a 15.8887
_cell_length_b 15.8887
_cell_length_c 7.1202
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1556.681
_exptl_crystal_density_diffrn      3.079
_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   0.24950   0.84000   0.02680
CaX   0.00000   0.00000   0.24950   0.02000   0.02680
AlY   0.12373   0.06186   0.35670   0.45000   0.01110
LiY   0.12373   0.06186   0.35670   0.26000   0.01110
Mn2+Y   0.12373   0.06186   0.35670   0.21700   0.01110
Ti4+Y   0.12373   0.06186   0.35670   0.00300   0.01110
AlZ   0.29754   0.26074   0.37275   1.00000   0.00790
SiT   0.19192   0.18998   0.01580   0.98700   0.00670
AlT   0.19192   0.18998   0.01580   0.00700   0.00670
BT   0.19192   0.18998   0.01580   0.00700   0.00670
B   0.10962   0.21924   0.47070   1.00000   0.00830
F1   0.00000   0.00000   0.20100   0.81000   0.05800
O-H1   0.00000   0.00000   0.20100   0.19000   0.05800
O2   0.06081   0.12162   0.49970   1.00000   0.02030
O3   0.26810   0.13405   0.47460   1.00000   0.01320
H3   0.26600   0.13300   0.58800   1.00000   0.01900
O4   0.09330   0.18660   0.08740   1.00000   0.01030
O5   0.18669   0.09335   0.10950   1.00000   0.01070
O6   0.19673   0.18670   0.20860   1.00000   0.00990
O7   0.28577   0.28582   0.09590   1.00000   0.00850
O8   0.20987   0.27064   0.45693   1.00000   0.01010