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: L6, ordered model
;
_database_code_amcsd 0018414
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.641 Na.288 Pb.023 Al7.194 Fe.021 Mn.18 Li1.605 Si6 B3 F.696 O30.304 H3.304'
_cell_length_a 15.8418
_cell_length_b 15.8418
_cell_length_c 7.1044
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1544.070
_exptl_crystal_density_diffrn      3.083
_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   0.76028   0.64100   0.01450
NaX   0.00000   0.00000   0.76028   0.28800   0.01450
PbX   0.00000   0.00000   0.76028   0.02300   0.01450
AlY   0.06188   0.93812   0.36596   0.39800   0.01240
FeY   0.06188   0.93812   0.36596   0.00700   0.01240
MnY   0.06188   0.93812   0.36596   0.06000   0.01240
LiY   0.06188   0.93812   0.36596   0.53500   0.01240
AlZ   0.25972   0.29686   0.38801   1.00000   0.00633
SiT   0.19023   0.19212   0.00000   1.00000   0.00500
B   0.89104   0.10896   0.54470   1.00000   0.00680
F(1o)   0.00000   0.00000   0.21150   0.69600   0.05400
O-H(1o)   0.00000   0.00000   0.21150   0.30400   0.05400
O(2o)   0.93990   0.06010   0.51980   1.00000   0.01710
O(3)   0.13493   0.86507   0.48990   1.00000   0.01030
O(4)   0.90780   0.09220   0.92560   1.00000   0.00840
O(5)   0.09210   0.90790   0.90420   1.00000   0.00850
O(6)   0.18632   0.19597   0.22365   1.00000   0.00710
O(7)   0.28534   0.28596   0.91837   1.00000   0.00640
O(8)   0.27000   0.20969   0.55794   1.00000   0.00760
H(3)   0.13060   0.86940   0.62200   1.00000   0.01500