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: L5, disordered model ; _database_code_amcsd 0018413 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.628 Na.297 Pb.023 Al7.188 Fe.021 Mn.207 Li1.584 Si6 B3 F.702 O32.97 H5.97' _cell_length_a 15.8456 _cell_length_b 15.8456 _cell_length_c 7.1066 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1545.289 _exptl_crystal_density_diffrn 3.230 _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 0.76011 0.62800 0.01430 NaX 0.00000 0.00000 0.76011 0.29700 0.01430 PbX 0.00000 0.00000 0.76011 0.02300 0.01430 AlY 0.06192 0.93808 0.36673 0.39600 0.01170 FeY 0.06192 0.93808 0.36673 0.00700 0.01170 MnY 0.06192 0.93808 0.36673 0.06900 0.01170 LiY 0.06192 0.93808 0.36673 0.52800 0.01170 AlZ 0.25977 0.29691 0.38791 1.00000 0.00637 SiT 0.19025 0.19215 0.00000 1.00000 0.00511 B 0.89099 0.10901 0.54460 1.00000 0.00750 F(1d) 0.01136 0.02270 0.21190 0.23400 0.01510 O-H(1d) 0.01136 0.02270 0.21190 0.99000 0.01510 O(2d) 0.93050 0.05090 0.51960 0.50000 0.00880 O(3) 0.13478 0.86522 0.48950 1.00000 0.01040 O(4) 0.90781 0.09219 0.92550 1.00000 0.00870 O(5) 0.09217 0.90783 0.90410 1.00000 0.00820 O(6) 0.18640 0.19590 0.22349 1.00000 0.00710 O(7) 0.28537 0.28589 0.91828 1.00000 0.00640 O(8) 0.27004 0.20972 0.55772 1.00000 0.00750 H(3) 0.13210 0.86790 0.62300 1.00000 0.01500