data_global _chemical_name_mineral 'Spinel' loop_ _publ_author_name 'Lucchesi S' 'Amoriello M' 'Della Giusta A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 10 _journal_year 1998 _journal_page_first 473 _journal_page_last 482 _publ_section_title ; Crystal chemistry of spinels from xenoliths of the Alban Hills volcanic region Sample: SP182f ; _database_code_amcsd 0006734 _chemical_compound_source 'xenoliths of the Alban Hills, Italy volcanic region' _chemical_formula_sum 'Mg.902 Fe.128 Zn.007 Mn.009 Al1.952 Ti2 O4' _cell_length_a 8.0991 _cell_length_b 8.0991 _cell_length_c 8.0991 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 531.264 _exptl_crystal_density_diffrn 6.064 _symmetry_space_group_name_H-M 'F d 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '3/4+z,1/2-x,1/4+y' '3/4+z,-x,3/4+y' '1/4+z,1/2-x,3/4+y' '1/4+z,-x,1/4+y' '3/4-y,1/2+z,1/4-x' '3/4-y,+z,3/4-x' '1/4-y,1/2+z,3/4-x' '1/4-y,+z,1/4-x' '3/4+x,1/2-y,1/4+z' '3/4+x,-y,3/4+z' '1/4+x,1/2-y,3/4+z' '1/4+x,-y,1/4+z' '3/4-z,1/2+x,1/4-y' '3/4-z,+x,3/4-y' '1/4-z,1/2+x,3/4-y' '1/4-z,+x,1/4-y' '3/4+y,1/2-z,1/4+x' '3/4+y,-z,3/4+x' '1/4+y,1/2-z,3/4+x' '1/4+y,-z,1/4+x' '3/4-x,1/2+y,1/4-z' '3/4-x,+y,3/4-z' '1/4-x,1/2+y,3/4-z' '1/4-x,+y,1/4-z' '1/2+x,3/4-z,1/4-y' '1/2+x,1/4-z,3/4-y' '+x,3/4-z,3/4-y' '+x,1/4-z,1/4-y' '1/2-z,3/4+y,1/4+x' '1/2-z,1/4+y,3/4+x' '-z,3/4+y,3/4+x' '-z,1/4+y,1/4+x' '1/2+y,3/4-x,1/4-z' '1/2+y,1/4-x,3/4-z' '+y,3/4-x,3/4-z' '+y,1/4-x,1/4-z' '1/2-x,3/4+z,1/4+y' '1/2-x,1/4+z,3/4+y' '-x,3/4+z,3/4+y' '-x,1/4+z,1/4+y' '1/2+z,3/4-y,1/4-x' '1/2+z,1/4-y,3/4-x' '+z,3/4-y,3/4-x' '+z,1/4-y,1/4-x' '1/2-y,3/4+x,1/4+z' '1/2-y,1/4+x,3/4+z' '-y,3/4+x,3/4+z' '-y,1/4+x,1/4+z' 'x,1/2+z,1/2+y' 'x,+z,+y' '1/2+x,1/2+z,+y' '1/2+x,+z,1/2+y' '-z,1/2-y,1/2-x' '-z,-y,-x' '1/2-z,1/2-y,-x' '1/2-z,-y,1/2-x' 'y,1/2+x,1/2+z' 'y,+x,+z' '1/2+y,1/2+x,+z' '1/2+y,+x,1/2+z' '-x,1/2-z,1/2-y' '-x,-z,-y' '1/2-x,1/2-z,-y' '1/2-x,-z,1/2-y' 'z,1/2+y,1/2+x' 'z,+y,+x' '1/2+z,1/2+y,+x' '1/2+z,+y,1/2+x' '-y,1/2-x,1/2-z' '-y,-x,-z' '1/2-y,1/2-x,-z' '1/2-y,-x,1/2-z' '3/4+z,1/4+x,1/2-y' '3/4+z,3/4+x,-y' '1/4+z,1/4+x,-y' '1/4+z,3/4+x,1/2-y' '3/4-y,1/4-z,1/2+x' '3/4-y,3/4-z,+x' '1/4-y,1/4-z,+x' '1/4-y,3/4-z,1/2+x' '3/4+x,1/4+y,1/2-z' '3/4+x,3/4+y,-z' '1/4+x,1/4+y,-z' '1/4+x,3/4+y,1/2-z' '3/4-z,1/4-x,1/2+y' '3/4-z,3/4-x,+y' '1/4-z,1/4-x,+y' '1/4-z,3/4-x,1/2+y' '3/4+y,1/4+z,1/2-x' '3/4+y,3/4+z,-x' '1/4+y,1/4+z,-x' '1/4+y,3/4+z,1/2-x' '3/4-x,1/4-y,1/2+z' '3/4-x,3/4-y,+z' '1/4-x,1/4-y,+z' '1/4-x,3/4-y,1/2+z' '-z,3/4+x,3/4+y' '-z,1/4+x,1/4+y' '1/2-z,3/4+x,1/4+y' '1/2-z,1/4+x,3/4+y' 'y,3/4-z,3/4-x' 'y,1/4-z,1/4-x' '1/2+y,3/4-z,1/4-x' '1/2+y,1/4-z,3/4-x' '-x,3/4+y,3/4+z' '-x,1/4+y,1/4+z' '1/2-x,3/4+y,1/4+z' '1/2-x,1/4+y,3/4+z' 'z,3/4-x,3/4-y' 'z,1/4-x,1/4-y' '1/2+z,3/4-x,1/4-y' '1/2+z,1/4-x,3/4-y' '-y,3/4+z,3/4+x' '-y,1/4+z,1/4+x' '1/2-y,3/4+z,1/4+x' '1/2-y,1/4+z,3/4+x' 'x,3/4-y,3/4-z' 'x,1/4-y,1/4-z' '1/2+x,3/4-y,1/4-z' '1/2+x,1/4-y,3/4-z' '1/4-x,1/2+z,3/4-y' '1/4-x,+z,1/4-y' '3/4-x,1/2+z,1/4-y' '3/4-x,+z,3/4-y' '1/4+z,1/2-y,3/4+x' '1/4+z,-y,1/4+x' '3/4+z,1/2-y,1/4+x' '3/4+z,-y,3/4+x' '1/4-y,1/2+x,3/4-z' '1/4-y,+x,1/4-z' '3/4-y,1/2+x,1/4-z' '3/4-y,+x,3/4-z' '1/4+x,1/2-z,3/4+y' '1/4+x,-z,1/4+y' '3/4+x,1/2-z,1/4+y' '3/4+x,-z,3/4+y' '1/4-z,1/2+y,3/4-x' '1/4-z,+y,1/4-x' '3/4-z,1/2+y,1/4-x' '3/4-z,+y,3/4-x' '1/4+y,1/2-x,3/4+z' '1/4+y,-x,1/4+z' '3/4+y,1/2-x,1/4+z' '3/4+y,-x,3/4+z' '3/4-x,3/4-z,y' '3/4-x,1/4-z,1/2+y' '1/4-x,3/4-z,1/2+y' '1/4-x,1/4-z,y' '3/4+z,3/4+y,-x' '3/4+z,1/4+y,1/2-x' '1/4+z,3/4+y,1/2-x' '1/4+z,1/4+y,-x' '3/4-y,3/4-x,z' '3/4-y,1/4-x,1/2+z' '1/4-y,3/4-x,1/2+z' '1/4-y,1/4-x,z' '3/4+x,3/4+z,-y' '3/4+x,1/4+z,1/2-y' '1/4+x,3/4+z,1/2-y' '1/4+x,1/4+z,-y' '3/4-z,3/4-y,x' '3/4-z,1/4-y,1/2+x' '1/4-z,3/4-y,1/2+x' '1/4-z,1/4-y,x' '3/4+y,3/4+x,-z' '3/4+y,1/4+x,1/2-z' '1/4+y,3/4+x,1/2-z' '1/4+y,1/4+x,-z' '-z,-x,-y' '-z,1/2-x,1/2-y' '1/2-z,-x,1/2-y' '1/2-z,1/2-x,-y' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' '-y,-z,-x' '-y,1/2-z,1/2-x' '1/2-y,-z,1/2-x' '1/2-y,1/2-z,-x' 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 MgT 0.12500 0.12500 0.12500 0.66040 0.00560 FeT 0.12500 0.12500 0.12500 0.11290 0.00560 ZnT 0.12500 0.12500 0.12500 0.00710 0.00560 MnT 0.12500 0.12500 0.12500 0.00900 0.00560 AlT 0.12500 0.12500 0.12500 0.21030 0.00560 SiT 0.12500 0.12500 0.12500 0.00010 0.00560 MgM 0.50000 0.50000 0.50000 0.12070 0.00430 FeM 0.50000 0.50000 0.50000 0.00780 0.00430 AlM 0.50000 0.50000 0.50000 0.87095 0.00430 CrM 0.50000 0.50000 0.50000 0.00010 0.00430 TiM 0.50000 0.50000 0.50000 1.00000 0.00430 O 0.26213 0.26213 0.26213 1.00000 0.00820