data_global _chemical_name_mineral 'Liebenbergite' loop_ _publ_author_name 'Bostrom D' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 965 _journal_page_last 972 _publ_section_title ; Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid solutions Sample: XNi2+ = 1.00 ; _database_code_amcsd 0001124 _chemical_formula_sum 'Ni2 Si O4' _cell_length_a 4.7296 _cell_length_b 10.1209 _cell_length_c 5.9150 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 283.138 _exptl_crystal_density_diffrn 4.914 _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 0.99260 0.27380 0.25000 Si 0.42730 0.09430 0.25000 O1 0.76890 0.09360 0.25000 O2 0.21790 0.44510 0.25000 O3 0.27370 0.16290 0.03030 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 0.03468 0.05345 0.06363 -0.00267 -0.00595 -0.00667 Ni2 0.04227 0.03944 0.06629 0.00194 0.00000 0.00000 Si 0.01972 0.04463 0.06310 0.00146 0.00000 0.00000 O1 0.03048 0.06539 0.07498 0.00776 0.00000 0.00000 O2 0.04136 0.04515 0.08047 0.00073 0.00000 0.00000 O3 0.04454 0.07369 0.07728 0.00461 -0.00368 0.01638