data_global _chemical_name_mineral 'Spinel' loop_ _publ_author_name 'Carraro A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 681 _journal_page_last 688 _publ_section_title ; Crystal chemistry of Cr-spinels from a suite of spinel peridotite mantle xenoliths from the Predazzo Area (Dolomites, Northern Italy) Sample: M2SP1 ; _database_code_amcsd 0007008 _chemical_compound_source 'Predazzo area, Dolomites, Northern Italy' _chemical_formula_sum 'Mg.68 Al1.152 Fe.45 Mn.005 Si.001 Cr.694 Ni.005 Ti.009 V.004 O4' _cell_length_a 8.2201 _cell_length_b 8.2201 _cell_length_c 8.2201 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 555.433 _exptl_crystal_density_diffrn 4.163 _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 0.58600 0.00640 AlT 0.12500 0.12500 0.12500 0.05600 0.00640 Fe2T 0.12500 0.12500 0.12500 0.31300 0.00640 Fe3T 0.12500 0.12500 0.12500 0.03900 0.00640 MnT 0.12500 0.12500 0.12500 0.00500 0.00640 SiT 0.12500 0.12500 0.12500 0.00100 0.00640 AlM 0.50000 0.50000 0.50000 0.54800 0.00420 CrM 0.50000 0.50000 0.50000 0.34700 0.00420 MgM 0.50000 0.50000 0.50000 0.04700 0.00420 Fe2M 0.50000 0.50000 0.50000 0.00600 0.00420 Fe3M 0.50000 0.50000 0.50000 0.04300 0.00420 NiM 0.50000 0.50000 0.50000 0.00250 0.00420 TiM 0.50000 0.50000 0.50000 0.00450 0.00420 VM 0.50000 0.50000 0.50000 0.00200 0.00420 O 0.26300 0.26300 0.26300 1.00000 0.00770