data_global
_chemical_name_mineral 'Olenite'
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 MAG
;
_database_code_amcsd 0019402
_chemical_compound_source 'Maigen, Moldanubian nappes, Lower Austria'
_chemical_formula_sum 'Na.56 Ca.01 K.01 Al8.922 Fe1.338 Mn.798 Li.42 Zn.06 Ti.018 Si5.568 B6.15 F.26 O42.74 H8.22'
_cell_length_a 15.8830
_cell_length_b 15.8830
_cell_length_c 7.1093
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1553.183
_exptl_crystal_density_diffrn      4.171
_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   0.25000   0.56000   0.02690
CaX   0.00000   0.00000   0.25000   0.01000   0.02690
KX   0.00000   0.00000   0.25000   0.01000   0.02690
AlY   0.12248  -0.06124   0.34775   0.44000   0.01120
Fe3+Y   0.12248  -0.06124   0.34775   0.15000   0.01120
Mn2+Y   0.12248  -0.06124   0.34775   0.13300   0.01120
Fe2+Y   0.12248  -0.06124   0.34775   0.07300   0.01120
LiY   0.12248  -0.06124   0.34775   0.07000   0.01120
ZnY   0.12248  -0.06124   0.34775   0.01000   0.01120
Ti4+Y   0.12248  -0.06124   0.34775   0.00300   0.01120
AlZ   0.29724   0.26071   0.36897   1.00000   0.00770
SiT   0.19185   0.18983   0.02240   0.92800   0.00710
AlT   0.19185   0.18983   0.02240   0.04700   0.00710
BT   0.19185   0.18983   0.02240   0.02500   0.00710
B   0.10962  -0.21924   0.47500   1.00000   0.00870
F1   0.00000   0.00000   0.20500   0.26000   0.02880
O1   0.00000   0.00000   0.20500   0.74000   0.02880
H1   0.01860   0.03730   0.18200   0.74000 ?
O2   0.06098  -0.12196   0.50920   1.00000   0.01780
O3   0.26390  -0.13195   0.47030   1.00000   0.01450
H3   0.25800  -0.12900   0.59100   1.00000   0.04600
O4   0.09416  -0.18832   0.09410   1.00000   0.01180
O5   0.18790  -0.09395   0.11660   1.00000   0.01250
O6   0.19581   0.18530   0.20390   1.00000   0.01040
O7   0.28642   0.28647   0.09970   1.00000   0.00910
O8   0.20963   0.27061   0.46040   1.00000   0.01010