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: L27, ordered model
;
_database_code_amcsd 0018448
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.614 Na.311 Pb.006 Ti.018 Al7.272 Fe.156 Mg.018 Mn.057 Li1.482 Si6 B3 F.633 O30.367 H3.367'
_cell_length_a 15.8333
_cell_length_b 15.8333
_cell_length_c 7.1025
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1542.001
_exptl_crystal_density_diffrn      3.085
_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   0.76151   0.61400   0.01470
NaX   0.00000   0.00000   0.76151   0.31100   0.01470
PbX   0.00000   0.00000   0.76151   0.00600   0.01470
TiY   0.06183   0.93817   0.36530   0.00600   0.01120
AlY   0.06183   0.93817   0.36530   0.42400   0.01120
FeY   0.06183   0.93817   0.36530   0.05200   0.01120
MgY   0.06183   0.93817   0.36530   0.00600   0.01120
MnY   0.06183   0.93817   0.36530   0.01900   0.01120
LiY   0.06183   0.93817   0.36530   0.49400   0.01120
AlZ   0.25964   0.29677   0.38811   1.00000   0.00613
SiT   0.19022   0.19214   0.00000   1.00000   0.00500
B   0.89123   0.10877   0.54500   1.00000   0.00670
F(1o)   0.00000   0.00000   0.21180   0.63300   0.05010
O-H(1o)   0.00000   0.00000   0.21180   0.36700   0.05010
O(2o)   0.94003   0.05997   0.51980   1.00000   0.01590
O(3)   0.13484   0.86516   0.48990   1.00000   0.01030
O(4)   0.90794   0.09206   0.92550   1.00000   0.00830
O(5)   0.09200   0.90800   0.90410   1.00000   0.00870
O(6)   0.18609   0.19576   0.22360   1.00000   0.00680
O(7)   0.28528   0.28590   0.91825   1.00000   0.00630
O(8)   0.26999   0.20960   0.55798   1.00000   0.00730
H(3)   0.13120   0.86880   0.62200   1.00000   0.01500