data_global
_chemical_name_mineral 'Foitite'
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 TK3
;
_database_code_amcsd 0019399
_chemical_compound_source 'Konigsalm, Moldanubian nappes, Lower Austria'
_chemical_formula_sum 'Na.37 Fe1.188 Al6.873 Mg.819 Mn.081 Li.021 Ti.009 Zn.009 Si5.958 B3 F.05 O30.95 H5.85'
_cell_length_a 15.9537
_cell_length_b 15.9537
_cell_length_c 7.1448
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1574.866
_exptl_crystal_density_diffrn      3.124
_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   0.24980   0.37000   0.02970
Fe2+Y   0.12457   0.06228   0.35730   0.37300   0.01059
AlY   0.12457   0.06228   0.35730   0.36300   0.01059
MgY   0.12457   0.06228   0.35730   0.18700   0.01059
Mn2+Y   0.12457   0.06228   0.35730   0.02700   0.01059
Fe3+Y   0.12457   0.06228   0.35730   0.02300   0.01059
LiY   0.12457   0.06228   0.35730   0.00700   0.01059
Ti4+Y   0.12457   0.06228   0.35730   0.00300   0.01059
ZnY   0.12457   0.06228   0.35730   0.00300   0.01059
AlZ   0.29815   0.26147   0.37335   0.95700   0.00780
MgZ   0.29815   0.26147   0.37335   0.04300   0.00780
SiT   0.19187   0.18986   0.01622   0.99300   0.00700
AlT   0.19187   0.18986   0.01622   0.00700   0.00700
B   0.11010   0.22020   0.47130   1.00000   0.00940
F1   0.00000   0.00000   0.20930   0.05000   0.02800
O1   0.00000   0.00000   0.20930   0.95000   0.02800
H1   0.02980   0.01490   0.16900   0.95000 ?
O2   0.06188   0.12376   0.50540   1.00000   0.01720
O3   0.26610   0.13305   0.47460   1.00000   0.01380
H3   0.25700   0.12850   0.60500   1.00000   0.03800
O4   0.09376   0.18752   0.08410   1.00000   0.01180
O5   0.18780   0.09390   0.10710   1.00000   0.01170
O6   0.19738   0.18678   0.20820   1.00000   0.01030
O7   0.28534   0.28581   0.09500   1.00000   0.00990
O8   0.20990   0.27076   0.45640   1.00000   0.01110