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 = 265 K ; _database_code_amcsd 0007309 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5267 _cell_length_b 8.5688 _cell_length_c 5.2553 _cell_angle_alpha 90 _cell_angle_beta 110.06 _cell_angle_gamma 90 _cell_volume 402.977 _exptl_crystal_density_diffrn 3.772 _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 0.24960 0.01480 0.23960 0.01240 GaM1 0.25008 0.65105 0.23954 0.00528 SiA 0.04717 0.34119 0.26830 0.00399 SiB 0.54790 0.84099 0.25210 0.00416 O1A 0.86425 0.33200 0.15460 0.00590 O1B 0.36455 0.83390 0.13410 0.00530 O2A 0.11510 0.51210 0.31210 0.00900 O2B 0.61930 1.00850 0.34270 0.00790 O3A 0.10840 0.26160 0.56870 0.00910 O3B 0.60630 0.73110 0.52030 0.00990 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 0.01070 0.01910 0.00890 0.00100 0.00510 0.00300 GaM1 0.00532 0.00542 0.00496 0.00016 0.00161 0.00011 SiA 0.00400 0.00470 0.00370 -0.00070 0.00170 -0.00030 SiB 0.00480 0.00450 0.00340 -0.00040 0.00170 0.00010 O1A 0.00550 0.00760 0.00470 -0.00110 0.00170 -0.00040 O1B 0.00530 0.00710 0.00360 -0.00080 0.00150 0.00010 O2A 0.00990 0.00750 0.01110 -0.00330 0.00580 -0.00160 O2B 0.00880 0.00790 0.00870 -0.00310 0.00510 -0.00290 O3A 0.00670 0.01320 0.00720 0.00050 0.00220 0.00310 O3B 0.00570 0.01450 0.00950 0.00160 0.00260 0.00440