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: DL5 P = 3.65 GPa ; _database_code_amcsd 0005069 _chemical_compound_source 'an alkaline basalt of Deadman Lake Volcanic Area, USA' _chemical_formula_sum 'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2' _cell_length_a 9.737 _cell_length_b 17.873 _cell_length_c 5.264 _cell_angle_alpha 90 _cell_angle_beta 105.76 _cell_angle_gamma 90 _cell_volume 881.653 _exptl_crystal_density_diffrn 3.358 _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 0.28320 0.08550 0.30470 1.00000 0.00900 SiT2 0.29050 0.17300 0.81560 1.00000 0.00700 MgM1 0.00000 0.08430 0.50000 0.60000 0.01200 FeM1 0.00000 0.08430 0.50000 0.40000 0.01200 MgM2 0.00000 0.17650 0.00000 0.69000 0.00700 FeM2 0.00000 0.17650 0.00000 0.31000 0.00700 MgM3 0.00000 0.00000 0.00000 0.61000 0.00800 FeM3 0.00000 0.00000 0.00000 0.39000 0.00800 CaM4 0.00000 0.27770 0.50000 0.94000 0.01200 FeM4* 0.00000 0.26900 0.50000 0.05000 0.01500 KAM 0.53600 0.00000 0.05400 0.27000 0.02500 O1 0.10460 0.08700 0.22000 1.00000 0.01100 O2 0.11750 0.17170 0.73300 1.00000 0.01000 O-H3 0.11200 0.00000 0.72000 1.00000 0.01300 O4 0.36580 0.25170 0.78900 1.00000 0.01400 O5 0.34970 0.14220 0.11400 1.00000 0.01200 O6 0.34900 0.11660 0.61720 1.00000 0.01300 O7 0.34300 0.00000 0.27800 1.00000 0.01600