data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Ertl A'
'Pertlik F'
'Bernhardt H J'
_journal_name_full 'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_volume 134 
_journal_year 1997
_journal_page_first 3
_journal_page_last 10
_publ_section_title
;
 Investigations on olenite with exess boron from Koralpe, Styria, Austria
;
_database_code_amcsd 0018673
_chemical_compound_source 'Koralpe, Styria, Austria'
_chemical_formula_sum 'Na.42 Ca.3 (Al8.262 Li.738) Si5.238 B3.762 O30.85 F.15 H5.7'
_cell_length_a 15.7395
_cell_length_b 15.7395
_cell_length_c 7.0656
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1515.869
_exptl_crystal_density_diffrn      3.088
_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   0.78630   0.42000 ?
CaX   0.00000   0.00000   0.78630   0.30000 ?
AlY   0.72742   0.45484   0.69377   0.79800 ?
LiY   0.72742   0.45484   0.69377   0.20200 ?
AlZ   0.70336   0.73949   0.39367   0.97800 ?
LiZ   0.70336   0.73949   0.39367   0.02200 ?
SiT   0.80884   0.81074   0.00000   0.87300 ?
BT   0.80884   0.81074   0.00000   0.12700 ?
B   0.89097   0.78193   0.54964   1.00000 ?
O1   0.00000   0.00000   0.22930   1.00000 ?
O2   0.94018   0.88036   0.50990   1.00000 ?
O3   0.79598   0.59197   0.82810   0.95000 ?
F3   0.79598   0.59197   0.82810   0.05000 ?
O4   0.90602   0.81204   0.92518   1.00000 ?
O5   0.42632   0.85264   0.57106   1.00000 ?
O6   0.80684   0.81726   0.22691   1.00000 ?
O7   0.71337   0.71409   0.92579   1.00000 ?
O8   0.79067   0.73015   0.56501   1.00000 ?
H3   0.79400   0.58900   0.95600   0.95000   0.05170
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
NaX 0.02400 0.02400 0.02050 0.00000 0.00000 0.01200
CaX 0.02400 0.02400 0.02050 0.00000 0.00000 0.01200
AlY 0.00900 0.00980 0.01270 0.00200 0.00100 0.00490
LiY 0.00900 0.00980 0.01270 0.00200 0.00100 0.00490
AlZ 0.01000 0.01120 0.00870 0.00060 -0.00080 0.00540
LiZ 0.01000 0.01120 0.00870 0.00060 -0.00080 0.00540
SiT 0.00960 0.00890 0.00860 -0.00070 0.00010 0.00370
BT 0.00960 0.00890 0.00860 -0.00070 0.00010 0.00370
B 0.00970 0.00940 0.01030 0.00470 0.00030 0.00060
O1 0.01720 0.01720 0.01470 0.00860 0.00000 0.00000
O2 0.01830 0.00920 0.01650 0.00460 0.00065 0.00130
O3 0.01330 0.02330 0.00990 0.01165 0.00055 0.00110
F3 0.01330 0.02330 0.00990 0.01165 0.00055 0.00110
O4 0.01510 0.01970 0.01360 0.01985 0.00115 -0.00230
O5 0.01570 0.02270 0.01280 0.01135 0.00025 -0.00050
O6 0.01070 0.01110 0.01010 0.00430 0.00040 -0.00020
O7 0.01100 0.01100 0.01060 0.00420 0.00120 -0.00080
O8 0.00900 0.01260 0.01160 0.00530 0.00100 0.00320