data_global _chemical_name_mineral 'Majorite' loop_ _publ_author_name 'Nakatsuka A' 'Yoshiasa A' 'Yamanaka T' 'Ohtaka O' 'Katsura T' 'Ito E' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 1135 _journal_page_last 1143 _publ_section_title ; Symmetry change of majorite solid-solution in the system Mg3Al2Si3O12-MgSiO3 Sample: x = .38 ; _database_code_amcsd 0002261 _chemical_formula_sum 'Mg3.374 Al1.252 Si3.374 O12' _cell_length_a 11.4833 _cell_length_b 11.4833 _cell_length_c 11.4833 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1514.259 _exptl_crystal_density_diffrn 3.531 _symmetry_space_group_name_H-M 'I 41/a c d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,3/4+z' '3/4-y,1/4-x,1/4+z' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,1/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '1/4-y,1/4-x,1/4-z' '3/4-y,3/4-x,3/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' 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 MgX1 0.00000 0.25000 0.12500 1.00000 0.01532 MgX2 0.12495 0.00000 0.25000 1.00000 0.01532 MgY 0.00000 0.00000 0.00000 0.18700 0.00329 AlY 0.00000 0.00000 0.00000 0.62600 0.00329 SiY 0.00000 0.00000 0.00000 0.18700 0.00329 SiZ1 0.00000 0.25000 0.37500 1.00000 0.00633 SiZ2 0.37505 0.00000 0.25000 1.00000 0.00646 O1 -0.03273 0.05009 0.15398 1.00000 0.01026 O2 0.15438 -0.03268 0.05053 1.00000 0.01051 O3 0.05005 0.15430 -0.03292 1.00000 0.01039