data_global
_chemical_name_mineral 'Fluor-elbaite'
loop_
_publ_author_name
'Bosi F'
'Andreozzi G B'
'Federico M'
'Graziani G'
'Lucchesi S'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1784
_journal_page_last 1792
_publ_section_title
;
 Crystal chemistry of the elbaite-schorl series
 Sample: L4e
;
_database_code_amcsd 0003954
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.841 K.005 Al7.082 Ti.035 Fe.795 Mn.072 Mg.106 Li.927 Si5.969 B3.014 F.754 O30.246 H3.332'
_cell_length_a 15.9010
_cell_length_b 15.9010
_cell_length_c 7.1238
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1559.880
_exptl_crystal_density_diffrn      3.102
_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   0.23646   0.84100   0.02090
KX   0.00000   0.00000   0.23646   0.00500   0.02090
AlY   0.12393   0.06196   0.62863   0.39000   0.00660
TiY   0.12393   0.06196   0.62863   0.01170   0.00660
FeY   0.12393   0.06196   0.62863   0.26500   0.00660
MnY   0.12393   0.06196   0.62863   0.02400   0.00660
MgY   0.12393   0.06196   0.62863   0.00030   0.00660
LiY   0.12393   0.06196   0.62863   0.30900   0.00660
AlZ   0.29760   0.26078   0.61160   0.98250   0.00480
MgZ   0.29760   0.26078   0.61160   0.01750   0.00480
SiT   0.19196   0.18993   0.00000   0.99480   0.00379
AlT   0.19196   0.18993   0.00000   0.00280   0.00379
BT   0.19196   0.18993   0.00000   0.00230   0.00379
B   0.10953   0.21906   0.45520   1.00000   0.00490
F1W   0.00000   0.00000   0.78432   0.75400   0.05900
O-H1W   0.00000   0.00000   0.78432   0.24600   0.05900
O2   0.06071   0.12142   0.48468   0.97130   0.01580
O-H2   0.06071   0.12142   0.48468   0.02870   0.01580
O-H3V   0.26879   0.13440   0.50970   1.00000   0.00880
O4   0.09314   0.18628   0.07146   1.00000   0.00750
O5   0.18650   0.09325   0.09367   1.00000   0.00790
O6   0.19699   0.18687   0.77585   1.00000   0.00650
O7   0.28563   0.28584   0.08045   1.00000   0.00540
O8   0.20995   0.27049   0.44164   1.00000   0.00670