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 = 343 K ; _database_code_amcsd 0007313 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5633 _cell_length_b 8.5715 _cell_length_c 5.2686 _cell_angle_alpha 90 _cell_angle_beta 110.223 _cell_angle_gamma 90 _cell_volume 405.253 _exptl_crystal_density_diffrn 3.751 _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 0.26650 0.25000 0.01820 GaM1 0.00000 0.90140 0.25000 0.00620 Si 0.29660 0.09117 0.26077 0.00580 O1 0.11340 0.08397 0.14380 0.00700 O2 0.36570 0.26170 0.32320 0.01110 O3 0.35667 0.00010 0.04910 0.01140 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 0.01800 0.02100 0.01700 0.00000 0.00700 0.00000 GaM1 0.00610 0.00530 0.00700 0.00000 0.00191 0.00000 Si 0.00490 0.00570 0.00670 -0.00060 0.00170 -0.00010 O1 0.00550 0.00650 0.00840 -0.00100 0.00180 0.00030 O2 0.01140 0.00850 0.01480 -0.00280 0.00660 -0.00220 O3 0.00700 0.01590 0.01170 -0.00050 0.00380 -0.00540