data_global _chemical_name_mineral 'Fluor-elbaite' loop_ _publ_author_name 'Burns P C' 'MacDonald D J' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 31 _journal_page_last 41 _publ_section_title ; The crystal chemistry of manganese-bearing elbaite Sample: NP1 ; _database_code_amcsd 0005345 _chemical_compound_source 'Nepal' _chemical_formula_sum 'Na.67 Ca.2 K.01 Al7.26 Li1.05 Mn.81 Ti.03 Fe.03 Si5.82 B3 F.66 O30.34 H3.34' _cell_length_a 15.932 _cell_length_b 15.932 _cell_length_c 7.135 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1568.430 _exptl_crystal_density_diffrn 3.087 _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 NaX 0.00000 0.00000 0.84080 0.67000 0.01910 CaX 0.00000 0.00000 0.84080 0.20000 0.01910 KX 0.00000 0.00000 0.84080 0.01000 0.01910 AlY 0.06188 0.93812 0.44310 0.36000 0.01230 LiY 0.06188 0.93812 0.44310 0.35000 0.01230 MnY 0.06188 0.93812 0.44310 0.27000 0.01230 TiY 0.06188 0.93812 0.44310 0.01000 0.01230 FeY 0.06188 0.93812 0.44310 0.01000 0.01230 AlZ 0.26101 0.29778 0.45910 1.00000 0.00670 SiT 0.19011 0.19206 0.07070 0.97000 0.00560 AlT 0.19011 0.19206 0.07070 0.03000 0.00560 B 0.89040 0.10960 0.61750 1.00000 0.00700 F1 0.00000 0.00000 0.28790 0.66000 0.04520 O-H1 0.00000 0.00000 0.28790 0.34000 0.04520 O2 0.93909 0.06091 0.59090 1.00000 0.02160 O-H3 0.13447 0.86553 0.56160 1.00000 0.01100 O4 0.90704 0.09296 -0.00090 1.00000 0.00920 O5 0.09309 0.90691 -0.02350 1.00000 0.01040 O6 0.18730 0.19731 0.29540 1.00000 0.00880 O7 0.28611 0.28591 -0.01010 1.00000 0.00730 O8 0.27060 0.20960 0.62930 1.00000 0.00880