data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Ertl A'
'Giester G'
'Ludwig T'
'Meyer H P'
'Rossman G R'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1591
_journal_page_last 1597
_publ_section_title
;
 Synthetic B-rich olenite: Correlations of single-crystal structural data
 Note: sample ElbK-13
;
_database_code_amcsd 0019525
_chemical_compound_source 'synthetic at 600 C'
_chemical_formula_sum 'Na.68 Al8.61 Li.39 B3.546 Si5.454 H3 O31'
_cell_length_a 15.765
_cell_length_b 15.765
_cell_length_c 7.083
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1524.530
_exptl_crystal_density_diffrn      3.075
_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   0.23920   0.68000   0.02770
AlY   0.12133   0.06067  -0.34124   0.87000   0.00720
LiY   0.12133   0.06067  -0.34124   0.13000   0.00720
AlZ   0.29657   0.25998  -0.37354   1.00000   0.00643
B   0.10908   0.21816   0.47140   1.00000   0.00620
SiT   0.19135   0.18954   0.02084   0.90900   0.00413
BT   0.19135   0.18954   0.02084   0.09100   0.00413
H3   0.25200   0.12600   0.40600   1.00000   0.04600
O1   0.00000   0.00000  -0.21070   1.00000   0.01340
O2   0.06016   0.12032   0.51140   1.00000   0.00990
O3   0.12923   0.06461  -0.47280   1.00000   0.01070
O4   0.09466   0.18932   0.09500   1.00000   0.01150
O5   0.18657   0.09329   0.11660   1.00000   0.01230
O6   0.19336   0.18294  -0.20621   1.00000   0.00750
O7   0.28686   0.28627   0.09477   1.00000   0.00752
O8   0.20939   0.27003   0.45584   1.00000   0.00710