data_global _chemical_name_mineral 'Liebenbergite' loop_ _publ_author_name 'Bish D L' _journal_name_full 'American Mineralogist' _journal_volume 66 _journal_year 1981 _journal_page_first 770 _journal_page_last 776 _publ_section_title ; Cation ordering in synthetic and natural Ni-Mg olivine natural ; _database_code_amcsd 0000840 _chemical_formula_sum 'Ni1.66 Mg.34 Si O4' _cell_length_a 4.7311 _cell_length_b 10.1797 _cell_length_c 5.9408 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 286.116 _exptl_crystal_density_diffrn 4.591 _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 Ni1 0.00000 0.00000 0.00000 1.00000 Ni2 0.99030 0.27470 0.25000 0.66000 Mg 0.99030 0.27470 0.25000 0.34000 Si 0.42650 0.09380 0.25000 1.00000 O1 0.76710 0.09250 0.25000 1.00000 O2 0.21900 0.44550 0.25000 1.00000 O3 0.27550 0.16250 0.03100 1.00000 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 0.00522 0.00525 0.00447 -0.00024 -0.00043 -0.00061 Ni2 0.00646 0.00420 0.00501 0.00000 0.00000 0.00000 Mg 0.00646 0.00420 0.00501 0.00000 0.00000 0.00000 Si 0.00499 0.00367 0.00465 0.00000 0.00000 0.00000 O1 0.00544 0.00682 0.00447 0.00000 0.00000 0.00000 O2 0.00646 0.00472 0.00554 -0.00049 0.00000 0.00000 O3 0.00669 0.00577 0.00608 -0.00073 0.00014 0.00092