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 = 303 K ; _database_code_amcsd 0007311 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5613 _cell_length_b 8.5691 _cell_length_c 5.2668 _cell_angle_alpha 90 _cell_angle_beta 110.248 _cell_angle_gamma 90 _cell_volume 404.852 _exptl_crystal_density_diffrn 3.754 _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 0.26550 0.25000 0.01590 GaM1 0.00000 0.90146 0.25000 0.00570 Si 0.29657 0.09111 0.26065 0.00540 O1 0.11343 0.08409 0.14420 0.00660 O2 0.36611 0.26180 0.32380 0.01000 O3 0.35680 0.00000 0.04920 0.01090 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 0.01900 0.01600 0.01400 0.00000 0.00700 0.00000 GaM1 0.00560 0.00500 0.00630 0.00000 0.00173 0.00000 Si 0.00490 0.00540 0.00590 -0.00060 0.00200 0.00000 O1 0.00490 0.00660 0.00830 -0.00060 0.00240 0.00060 O2 0.00990 0.00770 0.01370 -0.00270 0.00570 -0.00200 O3 0.00820 0.01580 0.00940 -0.00080 0.00380 -0.00440