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 = 225 K ; _database_code_amcsd 0007307 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5193 _cell_length_b 8.5713 _cell_length_c 5.2466 _cell_angle_alpha 90 _cell_angle_beta 109.99 _cell_angle_gamma 90 _cell_volume 402.294 _exptl_crystal_density_diffrn 3.778 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-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 0.25020 0.01460 0.23690 0.00970 GaM1 0.25011 0.65082 0.23698 0.00469 SiA 0.04759 0.34098 0.27047 0.00351 SiB 0.54845 0.84067 0.24989 0.00366 O1A 0.86438 0.33200 0.15660 0.00560 O1B 0.36470 0.83310 0.13120 0.00480 O2A 0.11508 0.51190 0.31020 0.00700 O2B 0.62055 0.00740 0.34750 0.00770 O3A 0.10870 0.26410 0.57290 0.00810 O3B 0.60630 0.72630 0.51330 0.00820 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 0.00970 0.01620 0.00470 0.00300 0.00430 -0.00060 GaM1 0.00481 0.00456 0.00459 0.00005 0.00147 0.00010 SiA 0.00390 0.00350 0.00320 -0.00060 0.00130 0.00000 SiB 0.00430 0.00360 0.00340 -0.00010 0.00170 0.00020 O1A 0.00600 0.00630 0.00460 -0.00070 0.00210 -0.00100 O1B 0.00650 0.00520 0.00300 -0.00150 0.00190 -0.00060 O2A 0.00790 0.00520 0.00880 -0.00250 0.00390 -0.00100 O2B 0.00800 0.00730 0.00900 -0.00220 0.00440 -0.00210 O3A 0.00700 0.00940 0.00840 0.00020 0.00310 0.00250 O3B 0.00580 0.01060 0.00840 0.00160 0.00270 0.00310