data_global _chemical_name_mineral 'Liebenbergite' loop_ _publ_author_name 'Lager G A' 'Meagher E P' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 365 _journal_page_last 377 _publ_section_title ; High-temperature structural study of six olivines T = 300 deg C, synthetic Ni2SiO4 ; _database_code_amcsd 0000643 _chemical_formula_sum 'Ni2 Si O4' _cell_length_a 4.744 _cell_length_b 10.151 _cell_length_c 5.933 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 285.712 _exptl_crystal_density_diffrn 4.870 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ni1 0.00000 0.00000 0.00000 Ni2 0.99250 0.27450 0.25000 Si 0.42720 0.09470 0.25000 O1 0.76970 0.09230 0.25000 O2 0.21870 0.44540 0.25000 O3 0.27700 0.16320 0.03240 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 Ni1 0.00867 0.00992 0.00606 -0.00049 -0.00071 -0.00153 Ni2 0.00958 0.00783 0.00767 -0.00024 0.00000 0.00000 Si 0.00410 0.00626 0.00909 0.00024 0.00000 0.00000 O1 0.00901 0.01148 0.01855 0.00024 0.00000 0.00000 O2 0.01060 0.00522 0.02104 0.00415 0.00000 0.00000 O3 0.01117 0.01827 0.00838 -0.00195 -0.00057 0.00397