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: 62ha
;
_database_code_amcsd 0003952
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.625 Al7.459 Fe.121 Mn.096 Mg.125 Li1.282 Si5.966 B3.034 F.503 O30.497 H3.713'
_cell_length_a 15.8528
_cell_length_b 15.8528
_cell_length_c 7.1083
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1547.064
_exptl_crystal_density_diffrn      3.031
_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   0.23367   0.62500   0.01960
AlY   0.12318   0.06159   0.63221   0.48630   0.00650
FeY   0.12318   0.06159   0.63221   0.03930   0.00650
MnY   0.12318   0.06159   0.63221   0.03200   0.00650
MgY   0.12318   0.06159   0.63221   0.04170   0.00650
LiY   0.12318   0.06159   0.63221   0.42730   0.00650
AlZ   0.29691   0.26007   0.61051   0.99950   0.00496
FeZ   0.29691   0.26007   0.61051   0.00050   0.00496
SiT   0.19197   0.18992   0.00000   0.99430   0.00389
BT   0.19197   0.18992   0.00000   0.00570   0.00389
B   0.10919   0.21838   0.45486   1.00000   0.00560
F1W   0.00000   0.00000   0.78347   0.50300   0.04600
O-H1W   0.00000   0.00000   0.78347   0.49700   0.04600
O2   0.06033   0.12066   0.48778   0.92800   0.01510
O-H2   0.06033   0.12066   0.48778   0.07200   0.01510
O3V   0.26666   0.13333   0.50809   1.00000   0.01110
O4   0.09343   0.18686   0.07244   1.00000   0.00750
O5   0.18702   0.09351   0.09466   1.00000   0.00760
O6   0.19586   0.18550   0.77525   1.00000   0.00660
O7   0.28603   0.28599   0.07939   1.00000   0.00550
O8   0.20958   0.27010   0.44007   1.00000   0.00680
H3   0.25800   0.12900   0.37300   1.00000   0.08000