data_global _amcsd_formula_title '(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6' loop_ _publ_author_name 'Camara F' 'Iezzi G' 'Oberti R' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 30 _journal_year 2003 _journal_page_first 20 _journal_page_last 30 _publ_section_title ; HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 200 C ; _database_code_amcsd 0008745 _chemical_formula_sum 'Li.85 Mg.24 Fe.91 Si2 O6' _cell_length_a 9.707 _cell_length_b 8.693 _cell_length_c 5.298 _cell_angle_alpha 90 _cell_angle_beta 110.27 _cell_angle_gamma 90 _cell_volume 419.375 _exptl_crystal_density_diffrn 3.401 _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_occupancy _atom_site_U_iso_or_equiv LiM2 0.00000 0.26730 0.25000 0.85000 0.02100 MgM2 0.00000 0.26730 0.25000 0.09000 0.02100 FeM2 0.00000 0.26730 0.25000 0.06000 0.02100 FeM1 0.00000 0.89840 0.25000 0.85000 0.00800 MgM1 0.00000 0.89840 0.25000 0.15000 0.00800 SiA 0.29580 0.08970 0.26670 1.00000 0.00600 O1A 0.11690 0.08600 0.14990 1.00000 0.00900 O2A 0.36810 0.25630 0.32950 1.00000 0.01400 O3A 0.35500 -0.00160 0.05630 1.00000 0.01500