data_global _chemical_name_mineral 'Kaersutite' loop_ _publ_author_name 'Comopdi P' 'Boffa Ballaran T' 'Zanazzi P F' 'Capalbo C' 'Zanetti A' 'Nazzareni S' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 1042 _journal_page_last 1051 _publ_section_title ; The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.26 GPa ; _database_code_amcsd 0005061 _chemical_compound_source 'an alkaline basalt of the Massif Central, France' _chemical_formula_sum 'Si8 Fe1.72 Mg3.5 Ca1.78 Na1.06 K.1 O24 H2' _cell_length_a 9.806 _cell_length_b 17.999 _cell_length_c 5.296 _cell_angle_alpha 90 _cell_angle_beta 105.43 _cell_angle_gamma 90 _cell_volume 901.043 _exptl_crystal_density_diffrn 3.286 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-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 SiT1 0.28490 0.08527 0.30410 1.00000 0.00930 SiT2 0.29120 0.17274 0.81020 1.00000 0.00740 FeM1 0.00000 0.08006 0.50000 0.50000 0.01000 MgM1 0.00000 0.08006 0.50000 0.50000 0.01000 MgM2 0.00000 0.17691 0.00000 0.80000 0.00770 FeM2 0.00000 0.17691 0.00000 0.20000 0.00770 MgM3 0.00000 0.00000 0.00000 0.68000 0.00820 FeM3 0.00000 0.00000 0.00000 0.32000 0.00820 CaM4 0.00000 0.27852 0.50000 0.89000 0.01020 MgM4* 0.00000 0.26200 0.50000 0.11000 0.01400 NaAm 0.03610 0.50000 0.06740 0.53000 0.02900 KA2 0.00000 0.48200 0.00000 0.05000 0.02900 O1 0.10820 0.08631 0.21990 1.00000 0.00870 O2 0.11840 0.17031 0.72750 1.00000 0.01020 O-H3 0.10550 0.00000 0.71650 1.00000 0.01230 O4 0.36420 0.25170 0.78770 1.00000 0.01230 O5 0.35230 0.14030 0.11090 1.00000 0.01330 O6 0.34910 0.11830 0.60960 1.00000 0.01280 O7 0.34600 0.00000 0.28330 1.00000 0.01760