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: L21, disordered model
;
_database_code_amcsd 0018437
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.638 Na.284 Pb.006 Ti.006 Al7.251 Fe.132 Mg.015 Mn.03 Li1.566 Si6 B3 F.666 O30.333 H3.333'
_cell_length_a 15.8399
_cell_length_b 15.8399
_cell_length_c 7.1030
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1543.396
_exptl_crystal_density_diffrn      3.072
_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   0.76207   0.63800   0.01470
NaX   0.00000   0.00000   0.76207   0.28400   0.01470
PbX   0.00000   0.00000   0.76207   0.00600   0.01470
TiY   0.06183   0.93817   0.36477   0.00200   0.01050
AlY   0.06183   0.93817   0.36477   0.41700   0.01050
FeY   0.06183   0.93817   0.36477   0.04400   0.01050
MgY   0.06183   0.93817   0.36477   0.00500   0.01050
MnY   0.06183   0.93817   0.36477   0.01000   0.01050
LiY   0.06183   0.93817   0.36477   0.52200   0.01050
AlZ   0.25969   0.29684   0.38829   1.00000   0.00592
SiT   0.19020   0.19212   0.00000   1.00000   0.00494
B   0.89109   0.10891   0.54490   1.00000   0.00680
F(1d)   0.01101   0.02200   0.21190   0.22200   0.01520
O-H(1d)   0.01101   0.02200   0.21190   0.11100   0.01520
O(2d)   0.93070   0.05090   0.51900   0.50000   0.00890
O(3)   0.13454   0.86546   0.49000   1.00000   0.01020
O(4)   0.90782   0.09218   0.92570   1.00000   0.00800
O(5)   0.09204   0.90796   0.90410   1.00000   0.00860
O(6)   0.18617   0.19579   0.22380   1.00000   0.00710
O(7)   0.28527   0.28596   0.91863   1.00000   0.00610
O(8)   0.27006   0.20969   0.55831   1.00000   0.00740
H(3)   0.13500   0.86500   0.62600   1.00000   0.01500