data_global
_chemical_name_mineral 'Magnesiofoitite'
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 TK42
;
_database_code_amcsd 0019400
_chemical_compound_source 'Konigsalm, Moldanian nappes, Lower Austria'
_chemical_formula_sum 'Na.49 Fe1.2 Al6.696 Mg1.032 Mn.039 Li.009 Ti.009 Si5.952 B3 O30.97 F.03 H3.91'
_cell_length_a 15.9476
_cell_length_b 15.9476
_cell_length_c 7.1578
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1576.525
_exptl_crystal_density_diffrn      3.117
_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   0.24940   0.49000   0.03080
Fe2+Y   0.12456   0.06228   0.35953   0.32300   0.01020
AlY   0.12456   0.06228   0.35953   0.31000   0.01020
MgY   0.12456   0.06228   0.35953   0.25000   0.01020
Fe3+Y   0.12456   0.06228   0.35953   0.07700   0.01020
Mn2+Y   0.12456   0.06228   0.35953   0.01300   0.01020
LiY   0.12456   0.06228   0.35953   0.00300   0.01020
Ti4+Y   0.12456   0.06228   0.35953   0.00300   0.01020
AlZ   0.29816   0.26145   0.37657   0.95300   0.00650
MgZ   0.29816   0.26145   0.37657   0.04700   0.00650
SiT   0.19193   0.18994   0.01238   0.99200   0.00600
AlT   0.19193   0.18994   0.01238   0.00800   0.00600
B   0.11020   0.22040   0.46690   1.00000   0.00980
O-H1   0.00000   0.00000   0.21100   0.91000   0.02560
F1   0.00000   0.00000   0.21100   0.03000   0.02560
O1   0.00000   0.00000   0.21100   0.06000   0.02560
O2   0.06173   0.12346   0.50110   1.00000   0.01650
O3   0.26600   0.13300   0.47700   1.00000   0.01310
H3   0.26300   0.13150   0.57700   1.00000   0.04000
O4   0.09352   0.18704   0.08070   1.00000   0.01100
O5   0.18720   0.09360   0.10400   1.00000   0.01050
O6   0.19740   0.18670   0.21190   1.00000   0.00980
O7   0.28510   0.28560   0.09140   1.00000   0.00880
O8   0.20990   0.27070   0.45320   1.00000   0.01060