data_global
_chemical_name_mineral 'Fluor-liddicoatite'
loop_
_publ_author_name
'Rozhdestvenskaya I V'
'Bronzova Y M'
'Frank-Kamenetskaya O V'
'Zolotarev A A'
'Kuznetsova L G'
'Bannova I I'
_journal_name_full 'Crystallography Reports'
_journal_volume 53 
_journal_year 2008
_journal_page_first 223
_journal_page_last 227
_publ_section_title
;
 Refinement of the crystal structure of calcium-lithium-aluminum tourmaline
 from the pegmatite vein in the Sangilen Upland (Tuva Republic)
;
_database_code_amcsd 0012397
_chemical_compound_source 'Sangilen Upland, Tuva Republic'
_chemical_formula_sum 'Ca.62 Na.32 Al7.08 Li.99 Fe.66 Mg.24 Ti.03 Si6 B3 F.84 O30.15 H2.43'
_cell_length_a 15.894
_cell_length_b 15.894
_cell_length_c 7.115
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1556.582
_exptl_crystal_density_diffrn      3.123
_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   0.22890   0.62000   0.01300
NaX   0.00000   0.00000   0.22890   0.32000   0.01300
AlY   0.12379   0.06190   0.63190   0.36000   0.00440
LiY   0.12379   0.06190   0.63190   0.33000   0.00440
FeY   0.12379   0.06190   0.63190   0.22000   0.00440
MgY   0.12379   0.06190   0.63190   0.08000   0.00440
TiY   0.12379   0.06190   0.63190   0.01000   0.00440
AlZ   0.29735   0.26050   0.61130   1.00000   0.00520
SiT   0.19223   0.19026   0.00000   1.00000   0.00440
B   0.10940   0.21880   0.45330   1.00000   0.00580
FO1   0.00000   0.00000   0.78610   0.84000   0.03300
O-H11   0.03290   0.01650   0.79700   0.05000   0.01000
O2   0.06000   0.12000   0.47840   1.00000   0.01510
O3   0.27020   0.13510   0.50970   1.00000   0.00840
O4   0.09210   0.18420   0.07270   1.00000   0.00870
O5   0.18400   0.09200   0.09470   1.00000   0.00870
O6   0.19680   0.18680   0.77540   1.00000   0.00670
O7   0.28590   0.28570   0.08130   1.00000   0.00600
O8   0.20970   0.27020   0.44080   1.00000   0.00690
H   0.25200   0.12600   0.41500   0.76000   0.04000