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: 64gh
;
_database_code_amcsd 0003953
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.661 Ca.032 K.005 Al7.356 Fe.106 Mn.43 Li1.107 Si6 B3.004 F.516 O33.484 H6.484'
_cell_length_a 15.8801
_cell_length_b 15.8801
_cell_length_c 7.1169
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1554.275
_exptl_crystal_density_diffrn      3.223
_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   0.23458   0.66100   0.01930
CaX   0.00000   0.00000   0.23458   0.03200   0.01930
KX   0.00000   0.00000   0.23458   0.00500   0.01930
AlY   0.12328   0.06164   0.62898   0.45630   0.00700
FeY   0.12328   0.06164   0.62898   0.03530   0.00700
MnY   0.12328   0.06164   0.62898   0.13900   0.00700
LiY   0.12328   0.06164   0.62898   0.36900   0.00700
AlZ   0.29727   0.26053   0.61095   0.99780   0.00537
MnZ   0.29727   0.26053   0.61095   0.00220   0.00537
SiT   0.19195   0.18993   0.00000   0.99930   0.00428
BT   0.19195   0.18993   0.00000   0.00070   0.00428
B   0.10940   0.21880   0.45466   1.00000   0.00590
F1W   0.00000   0.00000   0.78274   0.51600   0.05500
O-H1W   0.00000   0.00000   0.78274   0.48400   0.05500
O2   0.06057   0.12114   0.48512   1.00000   0.01770
O-H2   0.06057   0.12114   0.48512   1.00000   0.01770
O3V   0.26771   0.13386   0.50884   1.00000   0.01100
O4   0.09334   0.18668   0.07194   1.00000   0.00780
O5   0.18687   0.09343   0.09427   1.00000   0.00800
O6   0.19647   0.18611   0.77540   1.00000   0.00670
O7   0.28589   0.28598   0.07977   1.00000   0.00570
O8   0.20980   0.27043   0.44074   1.00000   0.00710
H3   0.26600   0.13300   0.38500   1.00000   0.04000