data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Hughes J M'
'Ertl A'
'Dyar M D'
'Grew E S'
'Wieden-beck M'
'Brandstatter F'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 447
_journal_page_last 454
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T5
;
_database_code_amcsd 0003449
_chemical_compound_source 'Koralpe, Austria'
_chemical_formula_sum 'Na.632 Ca.145 Al7.452 Fe1.203 Li.189 Mg.087 Ti.027 Mn.024 Si5.526 Be.012 B3.336 O31 H6.19'
_cell_length_a 15.9013
_cell_length_b 15.9013
_cell_length_c 7.1213
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1559.392
_exptl_crystal_density_diffrn      3.157
_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   0.25000   0.63200   0.01960
CaX   0.00000   0.00000   0.25000   0.14500   0.01960
AlY   0.12204   0.06102  -0.33702   0.44000   0.00990
Fe2Y   0.12204   0.06102  -0.33702   0.40100   0.00990
LiY   0.12204   0.06102  -0.33702   0.06300   0.00990
MgY   0.12204   0.06102  -0.33702   0.02900   0.00990
TiY   0.12204   0.06102  -0.33702   0.00900   0.00990
Mn2Y   0.12204   0.06102  -0.33702   0.00800   0.00990
AlZ   0.29753   0.26084  -0.36206   1.00000   0.00843
SiT   0.19190   0.18994   0.02874   0.92100   0.00710
AlT   0.19190   0.18994   0.02874   0.02200   0.00710
BeT   0.19190   0.18994   0.02874   0.00200   0.00710
BT   0.19190   0.18994   0.02874   0.05600   0.00710
B   0.10971   0.21943   0.48112   1.00000   0.00970
O1   0.00000   0.00000  -0.19360   0.81000   0.03250
O-H1   0.00000   0.00000  -0.19360   0.19000   0.03250
O2   0.06093   0.12185   0.51370   1.00000   0.01940
O3   0.26530   0.13262  -0.46280   1.00000   0.01530
O4   0.09344   0.18688   0.10020   1.00000   0.01390
O5   0.18670   0.09335   0.12240   1.00000   0.01390
O6   0.19643   0.18609  -0.19690   1.00000   0.01150
O7   0.28616   0.28613   0.10670   1.00000   0.01070
O8   0.20954   0.27039   0.46720   1.00000   0.01170
H3   0.26300   0.13200   0.42000   1.00000   0.04000