data_global
_chemical_name_mineral 'Fluor-liddicoatite'
loop_
_publ_author_name
'Lussier A J'
'Abdu Y'
'Hawthorne F C'
'Michaelis V K'
'Aguiar P M'
'Kroeker S'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 49 
_journal_year 2011
_journal_page_first 63
_journal_page_last 88
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L22, disordered model
;
_database_code_amcsd 0018439
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.683 Na.247 Pb.006 Ti.003 Al7.239 Fe.063 Mg.027 Mn.036 Li1.632 Si6 B3 F.639 O30.36 H3.36'
_cell_length_a 15.8306
_cell_length_b 15.8306
_cell_length_c 7.0999
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1540.911
_exptl_crystal_density_diffrn      3.069
_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   0.76130   0.68300   0.01350
NaX   0.00000   0.00000   0.76130   0.24700   0.01350
PbX   0.00000   0.00000   0.76130   0.00600   0.01350
TiY   0.06180   0.93820   0.36440   0.00100   0.00930
AlY   0.06180   0.93820   0.36440   0.41300   0.00930
FeY   0.06180   0.93820   0.36440   0.02100   0.00930
MgY   0.06180   0.93820   0.36440   0.00900   0.00930
MnY   0.06180   0.93820   0.36440   0.01200   0.00930
LiY   0.06180   0.93820   0.36440   0.54400   0.00930
AlZ   0.25963   0.29673   0.38811   1.00000   0.00570
SiT   0.19025   0.19212   0.00000   1.00000   0.00454
B   0.89128   0.10872   0.54570   1.00000   0.00660
F(1d)   0.01090   0.02170   0.21190   0.21300   0.01290
O-H(1d)   0.01090   0.02170   0.21190   0.12000   0.01290
O(2d)   0.93170   0.05150   0.51960   0.50000   0.01030
O(3)   0.13446   0.86554   0.48970   1.00000   0.01000
O(4)   0.90789   0.09211   0.92510   1.00000   0.00750
O(5)   0.09201   0.90799   0.90370   1.00000   0.00840
O(6)   0.18584   0.19559   0.22380   1.00000   0.00660
O(7)   0.28535   0.28610   0.91830   1.00000   0.00610
O(8)   0.26992   0.20946   0.55820   1.00000   0.00720
H(3)   0.13070   0.86930   0.62500   1.00000   0.01500