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: 60fc
;
_database_code_amcsd 0003951
_chemical_compound_source 'Cruziero pegmatite, Minas Gerais, Brazil'
_chemical_formula_sum 'Na.674 Al7.514 Fe.194 Mn.043 Li1.25 Si5.956 B3.044 F.626 O30.374 H3.573'
_cell_length_a 15.8468
_cell_length_b 15.8468
_cell_length_c 7.1058
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1545.350
_exptl_crystal_density_diffrn      3.036
_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   0.23498   0.67400   0.02110
AlY   0.12331   0.06165   0.63199   0.50470   0.00600
FeY   0.12331   0.06165   0.63199   0.06470   0.00600
MnY   0.12331   0.06165   0.63199   0.01430   0.00600
LiY   0.12331   0.06165   0.63199   0.41670   0.00600
AlZ   0.29690   0.26012   0.61026   1.00000   0.00460
SiT   0.19191   0.18985   0.00000   0.99270   0.00358
BT   0.19191   0.18985   0.00000   0.00730   0.00358
B   0.10914   0.21828   0.45492   1.00000   0.00480
F1W   0.00000   0.00000   0.78146   0.62600   0.04500
O-H1W   0.00000   0.00000   0.78146   0.37400   0.04500
O2   0.06032   0.12064   0.48814   0.93370   0.01390
O-H2   0.06032   0.12064   0.48814   0.06630   0.01390
O3V   0.26605   0.13303   0.50807   1.00000   0.01110
O4   0.09350   0.18700   0.07286   1.00000   0.00720
O5   0.18711   0.09356   0.09511   1.00000   0.00740
O6   0.19578   0.18530   0.77522   1.00000   0.00610
O7   0.28610   0.28603   0.07908   1.00000   0.00500
O8   0.20954   0.27012   0.43987   1.00000   0.00630
H3   0.25400   0.12700   0.35500   1.00000   0.08000