data_global _chemical_name_mineral 'Fluor-liddicoatite' loop_ _publ_author_name 'Aurisicchio C' 'Demartin F' 'Ottolini L' 'Pezzotta F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 11 _journal_year 1999 _journal_page_first 237 _journal_page_last 242 _publ_section_title ; Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 ; _database_code_amcsd 0006767 _chemical_compound_source 'Madagascar' _chemical_formula_sum 'Ca.452 Na.435 K.04 Li2 Al7 Si6 B3 F.327 O30.672 H3.39' _cell_length_a 15.882 _cell_length_b 15.882 _cell_length_c 7.115 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1554.232 _exptl_crystal_density_diffrn 2.993 _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 0.23610 0.45200 0.00836 NaX 0.00000 0.00000 0.23610 0.43500 0.00836 KX 0.00000 0.00000 0.23610 0.04000 0.00836 LiY 0.93825 0.06175 0.63080 0.66667 0.00825 AlY 0.93825 0.06175 0.63080 0.33333 0.00825 AlZ 0.29725 0.26030 0.61261 1.00000 0.00583 Si 0.19207 0.19018 0.00057 1.00000 0.00456 B 0.10938 0.89062 0.45480 1.00000 0.00684 F1 0.98880 0.01120 0.78740 0.10900 0.01684 O1 0.98880 0.01120 0.78740 0.09400 0.01684 O-H1 0.98880 0.01120 0.78740 0.13000 0.01684 O-H1 0.26960 0.13480 0.50990 1.00000 0.01089 O2 0.06047 0.93953 0.48000 1.00000 0.02026 O3 0.09251 0.18502 0.07360 1.00000 0.00937 O4 0.18490 0.09245 0.09530 1.00000 0.00950 O5 0.19646 0.18665 0.77680 1.00000 0.00798 O6 0.28575 0.28560 0.08200 1.00000 0.00709 O7 0.20969 0.27035 0.44290 1.00000 0.00836