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: L16, ordered model ; _database_code_amcsd 0018426 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.685 Na.245 Pb.01 Ti.003 Al7.287 Fe.06 Mn.036 Li1.617 Si6 B3 F.685 O30.315 H3.315' _cell_length_a 15.8307 _cell_length_b 15.8307 _cell_length_c 7.1013 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1541.234 _exptl_crystal_density_diffrn 3.073 _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 0.76121 0.68500 0.01420 NaX 0.00000 0.00000 0.76121 0.24500 0.01420 PbX 0.00000 0.00000 0.76121 0.01000 0.01420 TiY 0.06184 0.93816 0.36437 0.00100 0.01030 AlY 0.06184 0.93816 0.36437 0.42900 0.01030 FeY 0.06184 0.93816 0.36437 0.02000 0.01030 MnY 0.06184 0.93816 0.36437 0.01200 0.01030 LiY 0.06184 0.93816 0.36437 0.53900 0.01030 AlZ 0.25959 0.29671 0.38825 1.00000 0.00608 SiT 0.19018 0.19206 0.00000 1.00000 0.00493 B 0.89126 0.10874 0.54470 1.00000 0.00680 F(1o) 0.00000 0.00000 0.21170 0.68500 0.04920 O-H(1o) 0.00000 0.00000 0.21170 0.31500 0.04920 O(2o) 0.94020 0.05980 0.51970 1.00000 0.01640 O(3) 0.13462 0.86538 0.48995 1.00000 0.01070 O(4) 0.90791 0.09209 0.92522 1.00000 0.00840 O(5) 0.09198 0.90802 0.90386 1.00000 0.00830 O(6) 0.18587 0.19569 0.22358 1.00000 0.00718 O(7) 0.28539 0.28599 0.91839 1.00000 0.00602 O(8) 0.26990 0.20948 0.55815 1.00000 0.00735 H(3) 0.13250 0.86750 0.62400 1.00000 0.01500