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: L27, ordered model ; _database_code_amcsd 0018448 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.614 Na.311 Pb.006 Ti.018 Al7.272 Fe.156 Mg.018 Mn.057 Li1.482 Si6 B3 F.633 O30.367 H3.367' _cell_length_a 15.8333 _cell_length_b 15.8333 _cell_length_c 7.1025 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1542.001 _exptl_crystal_density_diffrn 3.085 _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 0.76151 0.61400 0.01470 NaX 0.00000 0.00000 0.76151 0.31100 0.01470 PbX 0.00000 0.00000 0.76151 0.00600 0.01470 TiY 0.06183 0.93817 0.36530 0.00600 0.01120 AlY 0.06183 0.93817 0.36530 0.42400 0.01120 FeY 0.06183 0.93817 0.36530 0.05200 0.01120 MgY 0.06183 0.93817 0.36530 0.00600 0.01120 MnY 0.06183 0.93817 0.36530 0.01900 0.01120 LiY 0.06183 0.93817 0.36530 0.49400 0.01120 AlZ 0.25964 0.29677 0.38811 1.00000 0.00613 SiT 0.19022 0.19214 0.00000 1.00000 0.00500 B 0.89123 0.10877 0.54500 1.00000 0.00670 F(1o) 0.00000 0.00000 0.21180 0.63300 0.05010 O-H(1o) 0.00000 0.00000 0.21180 0.36700 0.05010 O(2o) 0.94003 0.05997 0.51980 1.00000 0.01590 O(3) 0.13484 0.86516 0.48990 1.00000 0.01030 O(4) 0.90794 0.09206 0.92550 1.00000 0.00830 O(5) 0.09200 0.90800 0.90410 1.00000 0.00870 O(6) 0.18609 0.19576 0.22360 1.00000 0.00680 O(7) 0.28528 0.28590 0.91825 1.00000 0.00630 O(8) 0.26999 0.20960 0.55798 1.00000 0.00730 H(3) 0.13120 0.86880 0.62200 1.00000 0.01500