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: L4c
;
_database_code_amcsd 0003956
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.649 K.007 Al7.045 Ti.009 Fe1.438 Mn.191 Mg.017 Zn.108 Li.299 Si5.893 B3 F.433 O30.567 H3.346'
_cell_length_a 15.9569
_cell_length_b 15.9569
_cell_length_c 7.1369
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1573.755
_exptl_crystal_density_diffrn      3.180
_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   0.23011   0.64900   0.02410
KX   0.00000   0.00000   0.23011   0.00700   0.02410
AlY   0.12462   0.06231   0.62638   0.35930   0.00763
TiY   0.12462   0.06231   0.62638   0.00300   0.00763
Fe3+Y   0.12462   0.06231   0.62638   0.10970   0.00763
Fe2+Y   0.12462   0.06231   0.62638   0.32330   0.00763
MnY   0.12462   0.06231   0.62638   0.06370   0.00763
MgY   0.12462   0.06231   0.62638   0.00530   0.00763
ZnY   0.12462   0.06231   0.62638   0.03600   0.00763
LiY   0.12462   0.06231   0.62638   0.09970   0.00763
AlZ   0.29823   0.26135   0.61087   0.97670   0.00470
Fe3Z   0.29823   0.26135   0.61087   0.02220   0.00470
FeZ   0.29823   0.26135   0.61087   0.00100   0.00470
MgZ   0.29823   0.26135   0.61087   0.00020   0.00470
SiT   0.19199   0.18995   0.00000   0.98220   0.00393
AlT   0.19199   0.18995   0.00000   0.01780   0.00393
B   0.11008   0.22016   0.45477   1.00000   0.00520
F1W   0.00000   0.00000   0.78192   0.43300   0.05400
O-H1W   0.00000   0.00000   0.78192   0.34600   0.05400
O1   0.00000   0.00000   0.78192   0.22100   0.05400
O2   0.06141   0.12282   0.48586   1.00000   0.01650
O3V   0.26884   0.13442   0.50927   1.00000   0.01010
O4   0.09339   0.18678   0.06920   1.00000   0.00810
O5   0.18728   0.09364   0.09203   1.00000   0.00840
O6   0.19781   0.18730   0.77537   1.00000   0.00670
O7   0.28539   0.28591   0.07964   1.00000   0.00580
O8   0.20986   0.27064   0.44098   1.00000   0.00730
H3   0.26000   0.13000   0.39300   1.00000   0.07000