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: L16, disordered model
;
_database_code_amcsd 0018427
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.685 Na.245 Pb.01 Ti.003 Al7.287 Fe.06 Mn.036 Li1.617 Si6 B3 F.684 O30.315 H3.315'
_cell_length_a 15.8307
_cell_length_b 15.8307
_cell_length_c 7.1013
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1541.234
_exptl_crystal_density_diffrn      3.073
_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   0.76121   0.68500   0.01420
NaX   0.00000   0.00000   0.76121   0.24500   0.01420
PbX   0.00000   0.00000   0.76121   0.01000   0.01420
TiY   0.06184   0.93816   0.36437   0.00100   0.01030
AlY   0.06184   0.93816   0.36437   0.42900   0.01030
FeY   0.06184   0.93816   0.36437   0.02000   0.01030
MnY   0.06184   0.93816   0.36437   0.01200   0.01030
LiY   0.06184   0.93816   0.36437   0.53900   0.01030
AlZ   0.25959   0.29671   0.38825   1.00000   0.00608
SiT   0.19018   0.19206   0.00000   1.00000   0.00493
B   0.89126   0.10874   0.54470   1.00000   0.00680
F(1d)   0.01085   0.02170   0.21150   0.22800   0.01310
O-H(1d)   0.01085   0.02170   0.21150   0.10500   0.01310
O(2d)   0.93127   0.05097   0.51940   0.50000   0.00930
O(3)   0.13462   0.86538   0.48995   1.00000   0.01070
O(4)   0.90791   0.09209   0.92522   1.00000   0.00840
O(5)   0.09198   0.90802   0.90386   1.00000   0.00830
O(6)   0.18587   0.19569   0.22358   1.00000   0.00718
O(7)   0.28539   0.28599   0.91839   1.00000   0.00602
O(8)   0.26990   0.20948   0.55815   1.00000   0.00735
H(3)   0.13250   0.86750   0.62400   1.00000   0.01500