data_global
_chemical_name_mineral 'Olenite'
loop_
_publ_author_name
'Cempirek J'
'Novak M'
'Ertl A'
'Hughes J M'
'Rossman G R'
'Dyar D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 23
_journal_page_last 60
_publ_section_title
;
 Fe-bearing olenite with tetrahedrally coordinated Al
 from an abyssal pegmatite at Kutna Hora, Czech Republic:
 structure, crystal chemistry, optical and xanes spectra
;
_database_code_amcsd 0006068
_chemical_compound_source 'Kutna Hora, Czech Republic'
_chemical_formula_sum 'Na.54 Ca.14 K.01 Al8.46 Fe.78 Mn.06 Mg.12 Si5.58 B3 O31 F.01 H2.49'
_cell_length_a 15.8838
_cell_length_b 15.8838
_cell_length_c 7.1056
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1552.531
_exptl_crystal_density_diffrn      3.158
_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   0.54000   0.02060
CaX   0.00000   0.00000   0.75000   0.14000   0.02060
KX   0.00000   0.00000   0.75000   0.01000   0.02060
AlY   0.87802   0.93901   0.33280   0.72000   0.00940
Fe2+Y   0.87802   0.93901   0.33280   0.26000   0.00940
Mn2+Y   0.87802   0.93901   0.33280   0.02000   0.00940
AlZ   0.70287   0.73930   0.35950   0.98000   0.00786
MgZ   0.70287   0.73930   0.35950   0.02000   0.00786
SiT   0.80806   0.81011   0.96670   0.93000   0.00628
AlT   0.80806   0.81011   0.96670   0.07000   0.00628
B   0.89037   0.78075   0.51620   1.00000   0.00940
O1W   0.00000   0.00000   0.19650   0.99000   0.02260
FW   0.00000   0.00000   0.19650   0.01000   0.02260
O2   0.93921   0.87843   0.47940   1.00000   0.01640
O3V   0.73841   0.86921   0.46050   1.00000   0.01420
O4   0.90572   0.81145   0.89480   1.00000   0.01410
O5   0.81252   0.90626   0.87170   1.00000   0.01470
O6   0.80460   0.81545   0.19440   1.00000   0.01100
O7   0.71296   0.71324   0.89100   1.00000   0.00969
O8   0.79067   0.72982   0.53090   1.00000   0.01070
H3V   0.74100   0.87030   0.58000   0.41500   0.05900