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: 61Vbh
;
_database_code_amcsd 0003955
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.823 Ca.049 K.008 Al7.208 Ti.015 Fe.962 Mn.149 Zn.15 Li.649 Si5.871 B3.026 F.542 O30.458 H3.355'
_cell_length_a 15.9285
_cell_length_b 15.9285
_cell_length_c 7.1286
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1566.335
_exptl_crystal_density_diffrn      3.152
_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   0.23439   0.82300   0.02300
CaX   0.00000   0.00000   0.23439   0.04900   0.02300
KX   0.00000   0.00000   0.23439   0.00800   0.02300
AlY   0.12429   0.06214   0.62729   0.39200   0.00690
TiY   0.12429   0.06214   0.62729   0.00500   0.00690
Fe3+Y   0.12429   0.06214   0.62729   0.01000   0.00690
Fe2+Y   0.12429   0.06214   0.62729   0.28700   0.00690
MnY   0.12429   0.06214   0.62729   0.04970   0.00690
ZnY   0.12429   0.06214   0.62729   0.05000   0.00690
LiY   0.12429   0.06214   0.62729   0.21630   0.00690
AlZ   0.29790   0.26104   0.61145   0.98820   0.00490
FeZ   0.29790   0.26104   0.61145   0.01180   0.00490
SiT   0.19201   0.18998   0.00000   0.97850   0.00378
AlT   0.19201   0.18998   0.00000   0.01720   0.00378
BT   0.19201   0.18998   0.00000   0.00430   0.00378
B   0.10980   0.21960   0.45534   1.00000   0.00530
F1W   0.00000   0.00000   0.78365   0.54200   0.06100
O-H1W   0.00000   0.00000   0.78365   0.35500   0.06100
O1   0.00000   0.00000   0.78365   0.10300   0.06100
O2   0.06107   0.12214   0.48478   1.00000   0.01670
O-H3V   0.26901   0.13451   0.50937   1.00000   0.00930
O4   0.09325   0.18650   0.07042   1.00000   0.00770
O5   0.18689   0.09345   0.09308   1.00000   0.00810
O6   0.19751   0.18714   0.77552   1.00000   0.00640
O7   0.28561   0.28584   0.08028   1.00000   0.00560
O8   0.20992   0.27047   0.44139   1.00000   0.00690