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 = 900 deg C, synthetic Ni2SiO4 ; _database_code_amcsd 0000645 _chemical_formula_sum 'Ni2 Si O4' _cell_length_a 4.775 _cell_length_b 10.216 _cell_length_c 5.971 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 291.274 _exptl_crystal_density_diffrn 4.777 _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 0.99190 0.27500 0.25000 Si 0.42770 0.09430 0.25000 O1 0.76820 0.09340 0.25000 O2 0.21660 0.44640 0.25000 O3 0.27870 0.16310 0.03330 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 0.01536 0.02062 0.01806 -0.00099 -0.00173 -0.00278 Ni2 0.01871 0.01533 0.02167 0.00025 0.00000 0.00000 Si 0.00878 0.01269 0.01644 0.00000 0.00000 0.00000 O1 0.01213 0.02538 0.02601 -0.00124 0.00000 0.00000 O2 0.02356 0.01163 0.02402 0.00519 0.00000 0.00000 O3 0.02091 0.02538 0.01987 -0.00025 -0.00260 0.00340