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: L7, disordered model ; _database_code_amcsd 0018417 _chemical_compound_source 'Anjanabonoina, central Madagascar' _chemical_formula_sum 'Ca.636 Na.282 Pb.02 Ti.003 Al7.224 Fe.045 Mg.003 Mn.135 Li1.593 Si6 B3 F.708 O30.291 H3.291' _cell_length_a 15.8363 _cell_length_b 15.8363 _cell_length_c 7.1040 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1542.911 _exptl_crystal_density_diffrn 3.082 _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 0.76057 0.63600 0.01440 NaX 0.00000 0.00000 0.76057 0.28200 0.01440 PbX 0.00000 0.00000 0.76057 0.02000 0.01440 TiY 0.06185 0.93815 0.36575 0.00100 0.01130 AlY 0.06185 0.93815 0.36575 0.40800 0.01130 FeY 0.06185 0.93815 0.36575 0.01500 0.01130 MgY 0.06185 0.93815 0.36575 0.00100 0.01130 MnY 0.06185 0.93815 0.36575 0.04500 0.01130 LiY 0.06185 0.93815 0.36575 0.53100 0.01130 AlZ 0.25973 0.29683 0.38801 1.00000 0.00640 SiT 0.19017 0.19210 0.00000 1.00000 0.00518 B 0.89115 0.10885 0.54440 1.00000 0.00690 F(1d) 0.01111 0.02220 0.21170 0.23600 0.01400 O-H(1d) 0.01111 0.02220 0.21170 0.09700 0.01400 O(2d) 0.93090 0.05100 0.51970 0.50000 0.00950 O(3) 0.13484 0.86516 0.48960 1.00000 0.01040 O(4) 0.90786 0.09214 0.92570 1.00000 0.00850 O(5) 0.09203 0.90797 0.90420 1.00000 0.00840 O(6) 0.18607 0.19593 0.22357 1.00000 0.00710 O(7) 0.28541 0.28596 0.91831 1.00000 0.00650 O(8) 0.26996 0.20947 0.55779 1.00000 0.00740 H(3) 0.12790 0.87210 0.62000 1.00000 0.01500