data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Ertl A'
'Pertlik F'
'Dyar M D'
'Prowatke S'
'Hughes J M'
'Ludwig T'
'Bernhardt H J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 42 
_journal_year 2004
_journal_page_first 1057
_journal_page_last 1063
_publ_section_title
;
 Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria:
 Structural, chemical, and Mossbauer data
;
_database_code_amcsd 0005974
_chemical_compound_source 'Eibenstein, Austria'
_chemical_formula_sum 'Na.52 Ca.01 Al7.656 Fe.93 Mn.42 Li.048 Ti.03 Mg.132 Si5.73 B3 O30.86 F.14 H1.92'
_cell_length_a 15.938
_cell_length_b 15.938
_cell_length_c 7.136
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1569.832
_exptl_crystal_density_diffrn      3.144
_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   0.77980   0.52000 ?
CaX   0.00000   0.00000   0.77980   0.01000 ?
AlY   0.72829   0.45658   0.70550   0.54000 ?
FeY2+   0.72829   0.45658   0.70550   0.27600 ?
MnY2+   0.72829   0.45658   0.70550   0.14000 ?
LiY   0.72829   0.45658   0.70550   0.01600 ?
TiY4+   0.72829   0.45658   0.70550   0.01000 ?
AlZ   0.70225   0.73887   0.39130   0.97800 ?
MgZ   0.70225   0.73887   0.39130   0.02200 ?
SiT   0.80812   0.81014   0.00000   0.95500 ?
AlT   0.80812   0.81014   0.00000   0.02800 ?
FeT3+   0.80812   0.81014   0.00000   0.01700 ?
B   0.88999   0.77998   0.54740   1.00000 ?
O   0.00000   0.00000   0.22690   0.86000 ?
F   0.00000   0.00000   0.22690   0.14000 ?
O1   0.93851   0.87703   0.51240   1.00000 ?
O2   0.90588   0.81175   0.93010   1.00000 ?
O3   0.79936   0.59872   0.82580   1.00000 ?
O4   0.42739   0.85479   0.57430   1.00000 ?
O5   0.80330   0.81389   0.22600   1.00000 ?
O6   0.71398   0.71363   0.92260   1.00000 ?
O7   0.79027   0.72932   0.56150   1.00000 ?
H   0.79300   0.58500   0.96100   0.32000   0.03060
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 0.02760 0.02760 0.02480 0.01380 0.00000 0.00000
CaX 0.02760 0.02760 0.02480 0.01380 0.00000 0.00000
AlY 0.00850 0.01080 0.01720 0.00540 0.00160 0.00320
FeY2+ 0.00850 0.01080 0.01720 0.00540 0.00160 0.00320
MnY2+ 0.00850 0.01080 0.01720 0.00540 0.00160 0.00320
LiY 0.00850 0.01080 0.01720 0.00540 0.00160 0.00320
TiY4+ 0.00850 0.01080 0.01720 0.00540 0.00160 0.00320
AlZ 0.00820 0.00890 0.00840 0.00430 0.00000 0.00070
MgZ 0.00820 0.00890 0.00840 0.00430 0.00000 0.00070
SiT 0.00780 0.00750 0.00890 0.00390 -0.00020 -0.00050
AlT 0.00780 0.00750 0.00890 0.00390 -0.00020 -0.00050
FeT3+ 0.00780 0.00750 0.00890 0.00390 -0.00020 -0.00050
B 0.00940 0.00930 0.01080 0.00465 0.00025 0.00050
O 0.04290 0.04290 0.01300 0.02145 0.00000 0.00000
F 0.04290 0.04290 0.01300 0.02145 0.00000 0.00000
O1 0.02920 0.00840 0.01560 0.00420 0.00005 0.00010
O2 0.01020 0.01750 0.01380 0.00875 -0.00075 -0.00150
O3 0.01430 0.02950 0.00990 0.01475 0.00020 0.00040
O4 0.01080 0.01840 0.01340 0.00920 -0.00030 -0.00060
O5 0.01200 0.01340 0.00880 0.00620 0.00010 -0.00040
O6 0.00910 0.00920 0.01020 0.00300 -0.00010 -0.00130
O7 0.00860 0.01360 0.01260 0.00600 0.00110 0.00320