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: L12, ordered model ; _database_code_amcsd 0018420 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.51 Na.408 Pb.026 Al7.191 Fe.027 Mn.423 Li1.359 Si6 B3 F.752 O30.248 H3.248' _cell_length_a 15.853 _cell_length_b 15.853 _cell_length_c 7.120 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1549.650 _exptl_crystal_density_diffrn 3.105 _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 0.76015 0.51000 0.01604 NaX 0.00000 0.00000 0.76015 0.40800 0.01604 PbX 0.00000 0.00000 0.76015 0.02600 0.01604 AlY 0.06192 0.93808 0.36940 0.39700 0.01150 FeY 0.06192 0.93808 0.36940 0.00900 0.01150 MnY 0.06192 0.93808 0.36940 0.14100 0.01150 LiY 0.06192 0.93808 0.36940 0.45300 0.01150 AlZ 0.26009 0.29709 0.38774 1.00000 0.00653 SiT 0.19020 0.19212 0.00000 1.00000 0.00518 B 0.89096 0.10904 0.54540 1.00000 0.00690 F(1o) 0.00000 0.00000 0.21130 0.75200 0.05490 O-H(1o) 0.00000 0.00000 0.21130 0.24800 0.05490 O(2o) 0.93979 0.06021 0.52030 1.00000 0.01760 O(3) 0.13492 0.86508 0.48940 1.00000 0.01020 O(4) 0.90767 0.09233 0.92680 1.00000 0.00850 O(5) 0.09227 0.90773 0.90510 1.00000 0.00880 O(6) 0.18674 0.19646 0.22354 1.00000 0.00730 O(7) 0.28551 0.28579 0.91824 1.00000 0.00640 O(8) 0.27016 0.20967 0.55772 1.00000 0.00820 H(3) 0.13110 0.86890 0.62400 1.00000 0.01500