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: L11, disordered model
;
_database_code_amcsd 0018419
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.441 Na.471 Pb.025 Al7.167 Fe.027 Mn.531 Li1.278 Si6 B3 F.681 O30.318 H3.318'
_cell_length_a 15.8675
_cell_length_b 15.8675
_cell_length_c 7.1135
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1551.068
_exptl_crystal_density_diffrn      3.112
_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   0.76038   0.44100   0.01730
NaX   0.00000   0.00000   0.76038   0.47100   0.01730
PbX   0.00000   0.00000   0.76038   0.02500   0.01730
AlY   0.06200   0.93800   0.37036   0.38900   0.01080
FeY   0.06200   0.93800   0.37036   0.00900   0.01080
MnY   0.06200   0.93800   0.37036   0.17700   0.01080
LiY   0.06200   0.93800   0.37036   0.42600   0.01080
AlZ   0.26026   0.29728   0.38757   1.00000   0.00609
SiT   0.19021   0.19214   0.00000   1.00000   0.00493
B   0.89067   0.10933   0.54510   1.00000   0.00690
F(1d)   0.01214   0.02430   0.21120   0.22700   0.01400
O-H(1d)   0.01214   0.02430   0.21120   0.10600   0.01400
O(2d)   0.92980   0.05070   0.52070   0.50000   0.00900
O(3)   0.13504   0.86496   0.48940   1.00000   0.00910
O(4)   0.90755   0.09245   0.92680   1.00000   0.00780
O(5)   0.09244   0.90756   0.90530   1.00000   0.00810
O(6)   0.18694   0.19657   0.22355   1.00000   0.00730
O(7)   0.28546   0.28565   0.91811   1.00000   0.00620
O(8)   0.27017   0.20974   0.55749   1.00000   0.00760
H(3)   0.13190   0.86810   0.62300   1.00000   0.01500