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 = 1073 K ; _database_code_amcsd 0007323 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.6260 _cell_length_b 8.6433 _cell_length_c 5.2813 _cell_angle_alpha 90 _cell_angle_beta 110.098 _cell_angle_gamma 90 _cell_volume 412.649 _exptl_crystal_density_diffrn 3.683 _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 0.27050 0.25000 0.06500 GaM1 0.00000 0.89852 0.25000 0.01771 Si 0.29582 0.09059 0.25669 0.01410 O1 0.11460 0.08290 0.14200 0.01820 O2 0.36540 0.25870 0.31980 0.02850 O3 0.35500 0.00030 0.04400 0.02820 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 0.06900 0.07000 0.05100 0.00000 0.01400 0.00000 GaM1 0.01780 0.01860 0.01580 0.00000 0.00462 0.00000 Si 0.01370 0.01540 0.01300 -0.00210 0.00430 -0.00050 O1 0.01510 0.02180 0.01700 -0.00120 0.00480 0.00140 O2 0.03120 0.02210 0.03520 -0.00930 0.01500 -0.00450 O3 0.02010 0.04260 0.02220 -0.00090 0.00760 -0.01240