data_global _amcsd_formula_title 'LiGaSi2O6' loop_ _publ_author_name 'Camara F' 'Nestola F' 'Angel R J' 'Ohashi H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 21 _journal_year 2009 _journal_page_first 599 _journal_page_last 614 _publ_section_title ; Spontaneous strain variations through the low-temperature displacive phase transition of LiGaSi2O6 clinopyroxene Note: T = 573 K ; _database_code_amcsd 0007318 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5859 _cell_length_b 8.5911 _cell_length_c 5.2731 _cell_angle_alpha 90 _cell_angle_beta 110.173 _cell_angle_gamma 90 _cell_volume 407.619 _exptl_crystal_density_diffrn 3.729 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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_U_iso_or_equiv LiM2 0.00000 0.26770 0.25000 0.03300 GaM1 0.00000 0.90050 0.25000 0.00983 Si 0.29632 0.09102 0.25926 0.00860 O1 0.11385 0.08387 0.14370 0.01110 O2 0.36577 0.26080 0.32230 0.01600 O3 0.35667 -0.00050 0.04830 0.01700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 LiM2 0.03600 0.03800 0.02500 0.00000 0.01100 0.00000 GaM1 0.00970 0.00960 0.00970 0.00000 0.00284 0.00000 Si 0.00820 0.00930 0.00810 -0.00140 0.00250 -0.00050 O1 0.00960 0.01270 0.01100 -0.00110 0.00340 0.00010 O2 0.01650 0.01170 0.02230 -0.00420 0.00960 -0.00300 O3 0.01260 0.02460 0.01410 -0.00040 0.00500 -0.00730