data_global _chemical_name_mineral 'Mullite' loop_ _publ_author_name 'Angel R J' 'McMullan R K' 'Prewitt C T' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 332 _journal_page_last 342 _publ_section_title ; Substructure and superstructure of mullite by neutron diffraction Model 1 Neutron ; _database_code_amcsd 0001351 _chemical_formula_sum 'Al2.4 Si.6 O4.8' _cell_length_a 7.588 _cell_length_b 7.688 _cell_length_c 2.8895 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 168.563 _exptl_crystal_density_diffrn 3.121 _symmetry_space_group_name_H-M 'P b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al 0.00000 0.00000 0.00000 1.00000 AlT 0.14900 0.34000 0.50000 0.55000 SiT 0.14900 0.34000 0.50000 0.25000 AlT* 0.26250 0.20670 0.50000 0.15000 SiT* 0.26250 0.20670 0.50000 0.05000 Oab 0.35838 0.42238 0.50000 1.00000 Oc 0.50000 0.00000 0.50000 0.40000 Oc* 0.44950 0.05090 0.50000 0.20000 Od 0.12733 0.21843 0.00000 1.00000 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 Al 0.00729 0.00509 0.00444 0.00059 0.00000 0.00000 AlT 0.00496 0.00659 0.00596 -0.00030 0.00000 0.00000 SiT 0.00496 0.00659 0.00596 -0.00030 0.00000 0.00000 AlT* 0.00496 0.00629 0.00719 -0.00030 0.00000 0.00000 SiT* 0.00496 0.00629 0.00719 -0.00030 0.00000 0.00000 Oab 0.01283 0.01856 0.00470 -0.00842 0.00000 0.00000 Oc 0.01517 0.01497 0.02622 -0.00384 0.00000 0.00000 Oc* 0.00758 0.00689 0.01184 -0.00089 0.00000 0.00000 Od 0.01429 0.01228 0.01091 -0.00686 0.00000 0.00000