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: GOS2, from the sample core
;
_database_code_amcsd 0005893
_chemical_compound_source 'Goslarn, Austria'
_chemical_formula_sum 'Na.64 Ca.11 K.002 Al6.483 Mg2.007 Fe.411 Ti.099 Si6 B3 O30.97 F.03 H3.07'
_cell_length_a 15.9149
_cell_length_b 15.9149
_cell_length_c 7.1757
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1573.993
_exptl_crystal_density_diffrn      3.072
_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   0.64000   0.02086
CaX   0.00000   0.00000   0.75000   0.11000   0.02086
KX   0.00000   0.00000   0.75000   0.00200   0.02086
AlY   0.87654   0.93827   0.34333   0.52700   0.01095
MgY   0.87654   0.93827   0.34333   0.30300   0.01095
Fe2+Y   0.87654   0.93827   0.34333   0.13700   0.01095
TiY   0.87654   0.93827   0.34333   0.03300   0.01095
AlZ   0.70223   0.73860   0.36690   0.81700   0.00768
MgZ   0.70223   0.73860   0.36690   0.18300   0.00768
SiT   0.80830   0.81022   0.97725   1.00000   0.00705
B   0.89020   0.78039   0.52361   1.00000   0.00889
O1   0.00000   0.00000   0.20486   0.90000   0.01615
O-H1   0.00000   0.00000   0.20486   0.07000   0.01615
F1   0.00000   0.00000   0.20486   0.03000   0.01615
O2   0.93914   0.87828   0.49029   1.00000   0.01410
O3   0.73798   0.86899   0.46729   1.00000   0.01588
O4   0.90653   0.81305   0.90640   1.00000   0.01258
O5   0.81492   0.90746   0.88442   1.00000   0.01288
O6   0.80489   0.81514   0.20088   1.00000   0.01099
O7   0.71460   0.71479   0.89954   1.00000   0.01051
O8   0.79076   0.72985   0.53808   1.00000   0.01183
H3   0.74050   0.87030   0.58310   1.00000   0.04400