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: L1, ordered model ; _database_code_amcsd 0018406 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.487 Na.435 Pb.022 Al7.239 Fe.111 Mn.363 Li1.287 Ti.003 Si6 B3 F.709 O30.291 H3.291' _cell_length_a 15.8636 _cell_length_b 15.8636 _cell_length_c 7.1119 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1549.957 _exptl_crystal_density_diffrn 3.108 _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 0.48700 0.01610 NaX 0.00000 0.00000 0.76231 0.43500 0.01610 PbX 0.00000 0.00000 0.76231 0.02200 0.01610 AlY 0.06192 0.93808 0.36906 0.41300 0.01130 FeY 0.06192 0.93808 0.36906 0.03700 0.01130 MnY 0.06192 0.93808 0.36906 0.12100 0.01130 LiY 0.06192 0.93808 0.36906 0.42900 0.01130 TiY 0.06192 0.93808 0.36906 0.00100 0.01130 AlZ 0.26015 0.29717 0.38793 1.00000 0.00617 SiT 0.19025 0.19213 0.00000 1.00000 0.00496 B 0.89084 0.10916 0.54480 1.00000 0.00640 F(1o) 0.00000 0.00000 0.21170 0.70900 0.05660 O-H(1o) 0.00000 0.00000 0.21170 0.29100 0.05660 O(2o) 0.93974 0.06026 0.52020 1.00000 0.01710 O(3) 0.13483 0.86517 0.48970 1.00000 0.01000 O(4) 0.90771 0.09229 0.92690 1.00000 0.00800 O(5) 0.09234 0.90766 0.90540 1.00000 0.00820 O(6) 0.18672 0.19640 0.22361 1.00000 0.00740 O(7) 0.28551 0.28578 0.91842 1.00000 0.00630 O(8) 0.27012 0.20968 0.55784 1.00000 0.00750 H(3) 0.13370 0.86630 0.62400 1.00000 0.01500