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: L28, disordered model ; _database_code_amcsd 0018451 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.63 Na.338 Pb.007 Ti.012 Al7.203 Fe.123 Mg.069 Mn.069 Li1.524 Si6 B3 F.69 O30.309 H3.309' _cell_length_a 15.8404 _cell_length_b 15.8404 _cell_length_c 7.1039 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1543.689 _exptl_crystal_density_diffrn 3.081 _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 0.63000 0.01530 NaX 0.00000 0.00000 0.76133 0.33800 0.01530 PbX 0.00000 0.00000 0.76133 0.00700 0.01530 TiY 0.06210 0.93790 0.36663 0.00400 0.01040 AlY 0.06210 0.93790 0.36663 0.40100 0.01040 FeY 0.06210 0.93790 0.36663 0.04100 0.01040 MgY 0.06210 0.93790 0.36663 0.02300 0.01040 MnY 0.06210 0.93790 0.36663 0.02300 0.01040 LiY 0.06210 0.93790 0.36663 0.50800 0.01040 AlZ 0.25975 0.29691 0.38799 1.00000 0.00619 SiT 0.19019 0.19212 0.00000 1.00000 0.00504 B 0.89101 0.10899 0.54480 1.00000 0.00670 F(1d) 0.01123 0.02250 0.21200 0.23000 0.01440 O-H(1d) 0.01123 0.02250 0.21200 0.10300 0.01440 O(2d) 0.93090 0.05100 0.51980 0.50000 0.00860 O(3) 0.13473 0.86527 0.48970 1.00000 0.01020 O(4) 0.90788 0.09212 0.92570 1.00000 0.00840 O(5) 0.09206 0.90794 0.90440 1.00000 0.00820 O(6) 0.18633 0.19591 0.22364 1.00000 0.00710 O(7) 0.28542 0.28587 0.91841 1.00000 0.00608 O(8) 0.26994 0.20957 0.55782 1.00000 0.00760 H(3) 0.13390 0.86610 0.62500 1.00000 0.01500