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: L20, ordered model ; _database_code_amcsd 0018434 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.691 Na.234 Pb.006 Ti.003 Al7.308 Fe.054 Mg.003 Mn.024 Li1.611 Si6 B3 F.679 O30.321 H3.321' _cell_length_a 15.8303 _cell_length_b 15.8303 _cell_length_c 7.1017 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1541.243 _exptl_crystal_density_diffrn 3.069 _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 0.76161 0.69100 0.01360 NaX 0.00000 0.00000 0.76161 0.23400 0.01360 PbX 0.00000 0.00000 0.76161 0.00600 0.01360 TiY 0.06175 0.93825 0.36394 0.00100 0.01030 AlY 0.06175 0.93825 0.36394 0.43600 0.01030 FeY 0.06175 0.93825 0.36394 0.01800 0.01030 MgY 0.06175 0.93825 0.36394 0.00100 0.01030 MnY 0.06175 0.93825 0.36394 0.00800 0.01030 LiY 0.06175 0.93825 0.36394 0.53700 0.01030 AlZ 0.25959 0.29668 0.38827 1.00000 0.00590 SiT 0.19017 0.19207 0.00000 1.00000 0.00471 B 0.89135 0.10865 0.54480 1.00000 0.00700 F(1o) 0.00000 0.00000 0.21170 0.67900 0.04910 O-H(1o) 0.00000 0.00000 0.21170 0.32100 0.04910 O(2o) 0.94025 0.05975 0.51930 1.00000 0.01570 O(3) 0.13470 0.86530 0.49020 1.00000 0.01040 O(4) 0.90792 0.09208 0.92520 1.00000 0.00770 O(5) 0.09194 0.90806 0.90370 1.00000 0.00780 O(6) 0.18585 0.19565 0.22351 1.00000 0.00680 O(7) 0.28545 0.28601 0.91848 1.00000 0.00590 O(8) 0.26981 0.20944 0.55806 1.00000 0.00690 H(3) 0.12930 0.87080 0.62400 1.00000 0.01500