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: L26, ordered model
;
_database_code_amcsd 0018446
_chemical_compound_source 'Anjanabonoina, central Madagascar'
_chemical_formula_sum 'Ca.66 Na.272 Pb.005 Ti.009 Al7.194 Fe.093 Mn.051 Li1.647 Si6 B3 O30.566 F.434 H3.566'
_cell_length_a 15.8368
_cell_length_b 15.8368
_cell_length_c 7.1014
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1542.444
_exptl_crystal_density_diffrn      3.067
_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   0.76167   0.66000   0.01460
NaX   0.00000   0.00000   0.76167   0.27200   0.01460
PbX   0.00000   0.00000   0.76167   0.00500   0.01460
TiY   0.06181   0.93819   0.36473   0.00300   0.01170
AlY   0.06181   0.93819   0.36473   0.39800   0.01170
FeY   0.06181   0.93819   0.36473   0.03100   0.01170
MnY   0.06181   0.93819   0.36473   0.01700   0.01170
LiY   0.06181   0.93819   0.36473   0.54900   0.01170
AlZ   0.25973   0.29686   0.38801   1.00000   0.00606
SiT   0.19014   0.19207   0.00000   1.00000   0.00490
B   0.89129   0.10871   0.54440   1.00000   0.00610
O-H(1o)   0.00000   0.00000   0.21200   0.56600   0.05330
F(1o)   0.00000   0.00000   0.21200   0.43400   0.05330
O(2o)   0.94003   0.05997   0.51990   1.00000   0.01600
O(3)   0.13473   0.86527   0.49030   1.00000   0.00980
O(4)   0.90784   0.09216   0.92540   1.00000   0.00810
O(5)   0.09199   0.90801   0.90400   1.00000   0.00850
O(6)   0.18617   0.19589   0.22343   1.00000   0.00710
O(7)   0.28545   0.28601   0.91837   1.00000   0.00610
O(8)   0.26993   0.20961   0.55783   1.00000   0.00730
H(3)   0.12720   0.87280   0.61800   1.00000   0.01500