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 = 280 K ; _database_code_amcsd 0007310 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5405 _cell_length_b 8.5630 _cell_length_c 5.2669 _cell_angle_alpha 90 _cell_angle_beta 110.15 _cell_angle_gamma 90 _cell_volume 403.945 _exptl_crystal_density_diffrn 3.763 _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 0.24940 0.01610 0.24310 0.01430 GaM1 0.25012 0.65144 0.24481 0.00521 SiA 0.04686 0.34129 0.26484 0.00380 SiB 0.54704 0.84121 0.25674 0.00430 O1A 0.86400 0.33330 0.14940 0.00580 O1B 0.36400 0.83380 0.13860 0.00580 O2A 0.11460 0.51240 0.31580 0.00920 O2B 0.61740 1.01050 0.33290 0.00830 O3A 0.10780 0.25610 0.56000 0.00890 O3B 0.60600 0.74110 0.53530 0.01070 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 0.01670 0.01800 0.01050 -0.00400 0.00740 0.00000 GaM1 0.00526 0.00501 0.00505 -0.00020 0.00138 0.00020 SiA 0.00440 0.00350 0.00380 -0.00060 0.00160 -0.00050 SiB 0.00460 0.00470 0.00360 -0.00060 0.00140 0.00020 O1A 0.00600 0.00580 0.00520 -0.00080 0.00150 -0.00010 O1B 0.00500 0.00650 0.00560 -0.00110 0.00170 0.00000 O2A 0.00910 0.00870 0.01100 -0.00180 0.00500 -0.00140 O2B 0.01030 0.00650 0.00930 -0.00590 0.00490 -0.00280 O3A 0.00720 0.01240 0.00710 -0.00040 0.00250 0.00200 O3B 0.00520 0.01630 0.00970 0.00090 0.00160 0.00630