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: L4, disordered model
;
_database_code_amcsd 0018411
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.517 Na.386 Pb.021 Ti.003 Al7.173 Fe.09 Mg.102 Mn.234 Li1.395 Si6 B3 F.588 O30.411 H3.411'
_cell_length_a 15.8548
_cell_length_b 15.8548
_cell_length_c 7.1099
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1547.803
_exptl_crystal_density_diffrn      3.089
_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   0.76060   0.51700   0.01650
NaX   0.00000   0.00000   0.76060   0.38600   0.01650
PbX   0.00000   0.00000   0.76060   0.02100   0.01650
TiY   0.06191   0.93809   0.36813   0.00100   0.01140
AlY   0.06191   0.93809   0.36813   0.39100   0.01140
FeY   0.06191   0.93809   0.36813   0.03000   0.01140
MgY   0.06191   0.93809   0.36813   0.03400   0.01140
MnY   0.06191   0.93809   0.36813   0.07800   0.01140
LiY   0.06191   0.93809   0.36813   0.46500   0.01140
AlZ   0.26002   0.29703   0.38784   1.00000   0.00647
SiT   0.19018   0.19210   0.00000   1.00000   0.00515
B   0.89101   0.10899   0.54480   1.00000   0.00720
F(1d)   0.01134   0.02270   0.21250   0.19600   0.01440
O-H(1d)   0.01134   0.02270   0.21250   0.13700   0.01440
O(2d)   0.93080   0.05110   0.51950   0.50000   0.00880
O(3)   0.13478   0.86522   0.48950   1.00000   0.01010
O(4)   0.90773   0.09227   0.92650   1.00000   0.00820
O(5)   0.09226   0.90774   0.90480   1.00000   0.00900
O(6)   0.18634   0.19616   0.22358   1.00000   0.00740
O(7)   0.28554   0.28588   0.91854   1.00000   0.00640
O(8)   0.27019   0.20964   0.55767   1.00000   0.00760
H(3)   0.13030   0.86970   0.62500   1.00000   0.01500