data_global
_chemical_name_mineral 'Fluor-liddicoatite'
loop_
_publ_author_name
'Aurisicchio C'
'Demartin F'
'Ottolini L'
'Pezzotta F'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 11 
_journal_year 1999
_journal_page_first 237
_journal_page_last 242
_publ_section_title
;
 Homogeneous liddicoatite from Madagascar: a possible
 reference material? First EMPA, SIMS and SREF data
 Sample: 2
;
_database_code_amcsd 0006767
_chemical_compound_source 'Madagascar'
_chemical_formula_sum 'Ca.452 Na.435 K.04 Li2 Al7 Si6 B3 F.327 O30.672 H3.39'
_cell_length_a 15.882
_cell_length_b 15.882
_cell_length_c 7.115
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1554.232
_exptl_crystal_density_diffrn      2.993
_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   0.23610   0.45200   0.00836
NaX   0.00000   0.00000   0.23610   0.43500   0.00836
KX   0.00000   0.00000   0.23610   0.04000   0.00836
LiY   0.93825   0.06175   0.63080   0.66667   0.00825
AlY   0.93825   0.06175   0.63080   0.33333   0.00825
AlZ   0.29725   0.26030   0.61261   1.00000   0.00583
Si   0.19207   0.19018   0.00057   1.00000   0.00456
B   0.10938   0.89062   0.45480   1.00000   0.00684
F1   0.98880   0.01120   0.78740   0.10900   0.01684
O1   0.98880   0.01120   0.78740   0.09400   0.01684
O-H1   0.98880   0.01120   0.78740   0.13000   0.01684
O-H1   0.26960   0.13480   0.50990   1.00000   0.01089
O2   0.06047   0.93953   0.48000   1.00000   0.02026
O3   0.09251   0.18502   0.07360   1.00000   0.00937
O4   0.18490   0.09245   0.09530   1.00000   0.00950
O5   0.19646   0.18665   0.77680   1.00000   0.00798
O6   0.28575   0.28560   0.08200   1.00000   0.00709
O7   0.20969   0.27035   0.44290   1.00000   0.00836