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: L15, disordered model ; _database_code_amcsd 0018425 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.696 Na.228 Pb.01 Al7.257 Fe.03 Mn.033 Li1.68 Si6 B3 F.666 O30.333 H3.333' _cell_length_a 15.8248 _cell_length_b 15.8248 _cell_length_c 7.0993 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1539.652 _exptl_crystal_density_diffrn 3.069 _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 0.76133 0.69600 0.01340 NaX 0.00000 0.00000 0.76133 0.22800 0.01340 PbX 0.00000 0.00000 0.76133 0.01000 0.01340 AlY 0.06182 0.93818 0.36370 0.41900 0.01130 FeY 0.06182 0.93818 0.36370 0.01000 0.01130 MnY 0.06182 0.93818 0.36370 0.01100 0.01130 LiY 0.06182 0.93818 0.36370 0.56000 0.01130 AlZ 0.25956 0.29670 0.38834 1.00000 0.00608 SiT 0.19020 0.19210 0.00000 1.00000 0.00509 B 0.89111 0.10889 0.54460 1.00000 0.00670 F(1d) 0.01091 0.02180 0.21140 0.22200 0.01480 O-H(1d) 0.01091 0.02180 0.21140 0.11100 0.01480 O(2d) 0.93061 0.05060 0.51880 0.50000 0.00820 O(3) 0.13465 0.86535 0.49020 1.00000 0.01050 O(4) 0.90785 0.09215 0.92480 1.00000 0.00840 O(5) 0.09192 0.90808 0.90420 1.00000 0.00790 O(6) 0.18579 0.19537 0.22330 1.00000 0.00720 O(7) 0.28522 0.28582 0.91856 1.00000 0.00630 O(8) 0.26990 0.20955 0.55810 1.00000 0.00760 H(3) 0.13840 0.86160 0.62500 1.00000 0.01500