data_global _chemical_name_mineral 'Geikielite' loop_ _publ_author_name 'Wechsler B A' 'Von Dreele R B' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 45 _journal_year 1989 _journal_page_first 542 _journal_page_last 549 _publ_section_title ; Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction ; _database_code_amcsd 0009834 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg Ti O3' _cell_length_a 5.05478 _cell_length_b 5.05478 _cell_length_c 13.8992 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 307.557 _exptl_crystal_density_diffrn 3.893 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg 0.00000 0.00000 0.35570 Ti 0.00000 0.00000 0.14510 O 0.31591 0.02146 0.24635 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 Mg 0.00500 0.00500 0.00550 0.00250 0.00000 0.00000 Ti 0.00350 0.00350 0.00420 0.00180 0.00000 0.00000 O 0.00400 0.00410 0.00590 0.00160 0.00100 0.00130