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-9
;
_database_code_amcsd 0019526
_chemical_compound_source 'synthetic at 500 C'
_chemical_formula_sum 'Na.79 Al8.55 Li.45 B3.906 Si5.094 H3 O31'
_cell_length_a 15.746
_cell_length_b 15.746
_cell_length_c 7.075
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1519.139
_exptl_crystal_density_diffrn      3.070
_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   0.23970   0.79000   0.04100
AlY   0.12148   0.06074  -0.34070   0.85000   0.01060
LiY   0.12148   0.06074  -0.34070   0.15000   0.01060
AlZ   0.29689   0.26026  -0.37310   1.00000   0.00700
B   0.10880   0.21760   0.47250   1.00000   0.00700
SiT   0.19101   0.18941   0.02007   0.84900   0.00630
BT   0.19101   0.18941   0.02007   0.15100   0.00630
H3   0.24800   0.12400   0.42000   1.00000   0.03000
O1   0.00000   0.00000  -0.20760   1.00000   0.01540
O2   0.06004   0.12008   0.51260   1.00000   0.01080
O3   0.25940   0.12970  -0.47230   1.00000   0.01140
O4   0.09423   0.18846   0.09330   1.00000   0.01360
O5   0.18600   0.09300   0.11580   1.00000   0.01490
O6   0.19370   0.18320  -0.20550   1.00000   0.00860
O7   0.28580   0.28560   0.09380   1.00000   0.00840
O8   0.20940   0.26970   0.45650   1.00000   0.00770