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: L13, ordered model ; _database_code_amcsd 0018422 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.583 Na.345 Pb.006 Ti.009 Al7.209 Fe.015 Mg.06 Mn.033 Li1.491 Si6 B3 F.647 O30.353 H3.353' _cell_length_a 15.8449 _cell_length_b 15.8449 _cell_length_c 7.1053 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1544.870 _exptl_crystal_density_diffrn 3.045 _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 0.76231 0.58300 0.01610 NaX 0.00000 0.00000 0.76231 0.34500 0.01610 PbX 0.00000 0.00000 0.76231 0.00600 0.01610 TiY 0.06196 0.93804 0.36590 0.00300 0.01100 AlY 0.06196 0.93804 0.36590 0.40300 0.01100 FeY 0.06196 0.93804 0.36590 0.00500 0.01100 MgY 0.06196 0.93804 0.36590 0.02000 0.01100 MnY 0.06196 0.93804 0.36590 0.01100 0.01100 LiY 0.06196 0.93804 0.36590 0.49700 0.01100 AlZ 0.25978 0.29699 0.38818 1.00000 0.00631 SiT 0.19019 0.19212 0.00000 1.00000 0.00539 B 0.89082 0.10918 0.54500 1.00000 0.00730 F(1o) 0.00000 0.00000 0.21300 0.64700 0.05460 O-H(1o) 0.00000 0.00000 0.21300 0.35300 0.05460 O(2o) 0.93980 0.06020 0.51910 1.00000 0.01670 O(3) 0.13458 0.86542 0.49000 1.00000 0.01000 O(4) 0.90765 0.09235 0.92550 1.00000 0.00850 O(5) 0.09219 0.90781 0.90430 1.00000 0.00850 O(6) 0.18640 0.19593 0.22381 1.00000 0.00730 O(7) 0.28531 0.28582 0.91855 1.00000 0.00630 O(8) 0.27008 0.20974 0.55830 1.00000 0.00760 H(3) 0.13312 0.86680 0.62500 1.00000 0.01500