data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Hughes J M'
'Ertl A'
'Dyar M D'
'Grew E S'
'Wieden-beck M'
'Brandstatter F'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 447
_journal_page_last 454
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T3
;
_database_code_amcsd 0003447
_chemical_compound_source 'Koralpe, Austria'
_chemical_formula_sum 'Na.478 Ca.252 Al8.367 Fe.336 Li.273 Mn.015 Mg.012 Ti.009 Si5.244 Be.03 B3.48 O31 H3.31'
_cell_length_a 15.7959
_cell_length_b 15.7959
_cell_length_c 7.0815
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1530.188
_exptl_crystal_density_diffrn      3.104
_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
Na   0.00000   0.00000   0.75000   0.47800   0.01700
Ca   0.00000   0.00000   0.75000   0.25200   0.01700
AlY   0.87871   0.93935   0.32912   0.70500   0.00990
Fe2Y   0.87871   0.93935   0.32912   0.11200   0.00990
LiY   0.87871   0.93935   0.32912   0.09100   0.00990
Mn2Y   0.87871   0.93935   0.32912   0.00500   0.00990
MgY   0.87871   0.93935   0.32912   0.00400   0.00990
TiY   0.87871   0.93935   0.32912   0.00300   0.00990
AlZ   0.70312   0.73953   0.35947   1.00000   0.00886
SiT   0.80847   0.81037   0.96712   0.87400   0.00762
AlT   0.80847   0.81037   0.96712   0.04200   0.00762
BeT   0.80847   0.81037   0.96712   0.00500   0.00762
BT   0.80847   0.81037   0.96712   0.08000   0.00762
B   0.89084   0.78168   0.51582   1.00000   0.00880
O1   0.00000   0.00000   0.19270   0.69000   0.02100
O-H1   0.00000   0.00000   0.19270   0.31000   0.02100
O2   0.93984   0.87969   0.47960   1.00000   0.01700
O3   0.73834   0.86917   0.46040   1.00000   0.01450
O4   0.90624   0.81248   0.89330   1.00000   0.01370
O5   0.81398   0.90699   0.87190   1.00000   0.01430
O6   0.80548   0.81585   0.19340   1.00000   0.01050
O7   0.71346   0.71399   0.89100   1.00000   0.01010
O8   0.79066   0.72996   0.53040   1.00000   0.01020
H3   0.74200   0.87100   0.59100   1.00000   0.06000