data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Ertl A'
'Hughes J M'
'Brandstatter F'
'Dyar M D'
'Prasad P S R'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 41 
_journal_year 2003
_journal_page_first 1363
_journal_page_last 1370
_publ_section_title
;
 Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria:
 A chemical, structural, and infrared spectroscopic study
 Sample: GOS1, from the sample rim
;
_database_code_amcsd 0005892
_chemical_compound_source 'Goslarn, Austria'
_chemical_formula_sum 'Na.71 Ca.1 K.001 Al6.405 Mg2.163 Fe.39 Ti.09 Si5.952 B3 O30.97 F.03 H3.05'
_cell_length_a 15.9238
_cell_length_b 15.9238
_cell_length_c 7.1822
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1577.181
_exptl_crystal_density_diffrn      3.066
_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   0.75000   0.71000   0.02078
CaX   0.00000   0.00000   0.75000   0.10000   0.02078
KX   0.00000   0.00000   0.75000   0.00100   0.02078
AlY   0.87622   0.93811   0.34550   0.47300   0.01107
MgY   0.87622   0.93811   0.34550   0.36700   0.01107
Fe2+Y   0.87622   0.93811   0.34550   0.13000   0.01107
TiY   0.87622   0.93811   0.34550   0.03000   0.01107
AlZ   0.70221   0.73856   0.36821   0.82300   0.00745
MgZ   0.70221   0.73856   0.36821   0.17700   0.00745
SiT   0.80826   0.81018   0.97891   0.99200   0.00682
AlT   0.80826   0.81018   0.97891   0.00800   0.00682
B   0.89015   0.78031   0.52491   1.00000   0.00852
O1   0.00000   0.00000   0.20634   0.92000   0.01565
O-H1   0.00000   0.00000   0.20634   0.05000   0.01565
F1   0.00000   0.00000   0.20634   0.03000   0.01565
O2   0.93909   0.87818   0.49222   1.00000   0.01398
O3   0.73740   0.86870   0.46854   1.00000   0.01517
O4   0.90658   0.81316   0.90805   1.00000   0.01235
O5   0.81520   0.90760   0.88624   1.00000   0.01260
O6   0.80465   0.81492   0.20231   1.00000   0.01067
O7   0.71468   0.71484   0.90080   1.00000   0.01027
O8   0.79065   0.72980   0.53925   1.00000   0.01139
H3   0.73910   0.86950   0.58620   1.00000   0.04300