data_global _chemical_name_mineral 'Kanoite' loop_ _publ_author_name 'Arlt T' 'Angel R J' 'Miletich R' 'Armbruster T' 'Peters T' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 1176 _journal_page_last 1181 _publ_section_title ; High-pressure P2_1/c-C2/c phase transitions in clinopyroxenes: Influence of cation size and electronic structure Sample at P = 0.0 GPa ; _database_code_amcsd 0002049 _chemical_formula_sum '(Mg.578 Mn.422) Si O3' _cell_length_a 9.7196 _cell_length_b 8.9172 _cell_length_c 5.2465 _cell_angle_alpha 90 _cell_angle_beta 108.74 _cell_angle_gamma 90 _cell_volume 430.616 _exptl_crystal_density_diffrn 3.496 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-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 Mg1 0.25065 0.65370 0.22790 0.90000 0.00735 Mn1 0.25065 0.65370 0.22790 0.10000 0.00735 Mn2 0.25487 0.02031 0.22690 0.74400 0.01039 Mg2 0.25487 0.02031 0.22690 0.25600 0.01039 SiA 0.04220 0.34061 0.28060 1.00000 0.00798 SiB 0.54959 0.83774 0.23580 1.00000 0.00811 O1A 0.86710 0.33780 0.17250 1.00000 0.00975 O1B 0.37410 0.83820 0.13120 1.00000 0.01039 O2A 0.11880 0.50060 0.32370 1.00000 0.01153 O2B 0.62810 0.98810 0.37150 1.00000 0.01216 O3A 0.10420 0.26770 0.58750 1.00000 0.01127 O3B 0.60470 0.70660 0.47510 1.00000 0.01115