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 = 473 K ; _database_code_amcsd 0007317 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5762 _cell_length_b 8.5728 _cell_length_c 5.2715 _cell_angle_alpha 90 _cell_angle_beta 110.196 _cell_angle_gamma 90 _cell_volume 406.155 _exptl_crystal_density_diffrn 3.742 _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 0.26740 0.25000 0.02620 GaM1 0.00000 0.90092 0.25000 0.00860 Si 0.29630 0.09093 0.25976 0.00740 O1 0.11370 0.08356 0.14360 0.00900 O2 0.36580 0.26130 0.32260 0.01480 O3 0.35660 -0.00040 0.04870 0.01490 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 0.03000 0.02800 0.02300 0.00000 0.01100 0.00000 GaM1 0.00840 0.00810 0.00880 0.00000 0.00251 0.00000 Si 0.00690 0.00780 0.00730 -0.00120 0.00220 -0.00040 O1 0.00660 0.00950 0.01000 -0.00160 0.00190 0.00010 O2 0.01580 0.01150 0.01880 -0.00350 0.00800 -0.00230 O3 0.01000 0.02220 0.01270 -0.00110 0.00430 -0.00670