data_global
_chemical_name_mineral 'Fluor-liddicoatite'
loop_
_publ_author_name
'Ertl A'
'Hughes J M'
'Prowatke S'
'Ludwig T'
'Prasad P S R'
'Brandstatter F'
'Korner W'
'Schuster R'
'Pertlik F'
'Marschall H'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 1847
_journal_page_last 1856
_publ_section_title
;
 Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite
 series from Madagascar: Structure, chemistry, and infrared spectroscopic studies
 Sample: LID6A1
;
_database_code_amcsd 0004247
_chemical_compound_source 'Anjanabonoina, Madagascar'
_chemical_formula_sum 'Ca.5 Na.34 Al7.56 Li1.14 Fe.06 Mn.03 Si5.76 B3.24 F.56 O30.44 H3.441'
_cell_length_a 15.8204
_cell_length_b 15.8204
_cell_length_c 7.0955
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1537.972
_exptl_crystal_density_diffrn      3.053
_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
CaX   0.00000   0.00000   0.25000   0.50000   0.00930
NaX   0.00000   0.00000   0.25000   0.34000   0.00930
AlY   0.12266   0.06133  -0.34700   0.52000   0.01040
LiY   0.12266   0.06133  -0.34700   0.38000   0.01040
Fe2+Y   0.12266   0.06133  -0.34700   0.02000   0.01040
Mn2+Y   0.12266   0.06133  -0.34700   0.01000   0.01040
AlZ   0.29675   0.25979  -0.37409   1.00000   0.00827
SiT   0.19196   0.19000   0.01538   0.96000   0.00611
BT   0.19196   0.19000   0.01538   0.04000   0.00611
B   0.10895   0.21790   0.46980   1.00000   0.00820
F1W   0.00000   0.00000  -0.20090   0.56000   0.03250
O1W   0.00000   0.00000  -0.20090   0.44000   0.03250
O2   0.05996   0.11992   0.49910   1.00000   0.01880
O3V   0.26689   0.13344  -0.47590   1.00000   0.01380
O4   0.09279   0.18558   0.09000   1.00000   0.01120
O5   0.18494   0.09247   0.11150   1.00000   0.01170
O6   0.19538   0.18539  -0.20930   1.00000   0.00974
O7   0.28627   0.28561   0.09517   1.00000   0.00873
O8   0.20955   0.27011   0.45548   1.00000   0.00982
H1W   0.05380   0.02690  -0.14500   0.14700 ?
H3V   0.26300   0.13150   0.41300   1.00000   0.04900