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 = 125 K ; _database_code_amcsd 0007303 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Li Ga Si2 O6' _cell_length_a 9.5112 _cell_length_b 8.5703 _cell_length_c 5.2354 _cell_angle_alpha 90 _cell_angle_beta 109.88 _cell_angle_gamma 90 _cell_volume 401.326 _exptl_crystal_density_diffrn 3.787 _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 0.25030 0.01390 0.23430 0.00660 GaM1 0.25021 0.65081 0.23417 0.00345 SiA 0.04786 0.34092 0.27285 0.00265 SiB 0.54908 0.84030 0.24767 0.00276 O1A 0.86441 0.33168 0.15900 0.00420 O1B 0.36558 0.83283 0.12890 0.00380 O2A 0.11488 0.51234 0.30920 0.00540 O2B 0.62210 0.00590 0.35280 0.00600 O3A 0.10920 0.26620 0.57790 0.00620 O3B 0.60633 0.72130 0.50500 0.00640 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 0.00710 0.01170 0.00310 -0.00300 0.00470 -0.00220 GaM1 0.00366 0.00318 0.00353 0.00000 0.00124 -0.00001 SiA 0.00350 0.00260 0.00220 -0.00020 0.00140 0.00030 SiB 0.00350 0.00240 0.00290 -0.00020 0.00170 0.00010 O1A 0.00510 0.00440 0.00380 -0.00060 0.00260 -0.00120 O1B 0.00280 0.00580 0.00320 -0.00120 0.00150 0.00050 O2A 0.00670 0.00490 0.00610 -0.00090 0.00400 0.00060 O2B 0.00700 0.00660 0.00570 -0.00220 0.00390 -0.00120 O3A 0.00630 0.00770 0.00510 0.00080 0.00250 0.00250 O3B 0.00510 0.00890 0.00540 0.00140 0.00180 0.00120