data_global _chemical_name_mineral 'Liebenbergite' loop_ _publ_author_name 'Henderson C M B' 'Redfern S A T' 'Smith R I' 'Knight K S' 'Charnock J M' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 1170 _journal_page_last 1187 _publ_section_title ; Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at room temperature ; _database_code_amcsd 0002678 _chemical_formula_sum '(Ni Mg) Si O4' _cell_length_a 4.7396 _cell_length_b 10.187 _cell_length_c 5.9467 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 287.120 _exptl_crystal_density_diffrn 4.050 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv Ni1 0.00000 0.00000 0.00000 0.72700 0.00507 Mg1 0.00000 0.00000 0.00000 0.27300 0.00507 Ni2 0.99140 0.27540 0.25000 0.27300 0.00557 Mg2 0.99140 0.27540 0.25000 0.72700 0.00557 Si 0.42560 0.09330 0.25000 1.00000 0.00367 O1 0.76770 0.09310 0.25000 1.00000 0.00557 O2 0.22030 0.44580 0.25000 1.00000 0.00595 O3 0.27560 0.16240 0.03160 1.00000 0.00608