data_global _chemical_name_mineral 'Mullite' loop_ _publ_author_name 'Voll D' 'Lengauer C' 'Beran A' 'Schneider H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 591 _journal_page_last 604 _publ_section_title ; Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Ge powder data ; _database_code_amcsd 0006890 _chemical_formula_sum 'Al2.36 Ge.64 O4.82' _cell_length_a 7.6530 _cell_length_b 7.7779 _cell_length_c 2.9252 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 174.120 _exptl_crystal_density_diffrn 3.572 _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 _atom_site_U_iso_or_equiv AlM 0.00000 0.00000 0.00000 1.00000 0.01153 AlT 0.15000 0.33910 0.50000 0.50000 0.01241 GeT 0.15000 0.33910 0.50000 0.32000 0.01241 AlT* 0.27010 0.20360 0.50000 0.18000 0.01140 Od 0.12870 0.21280 0.00000 1.00000 0.01798 Oab 0.36310 0.42080 0.50000 1.00000 0.01798 Oc 0.50000 0.00000 0.50000 0.46000 0.02153 Oc* 0.45200 0.04700 0.50000 0.18000 0.01267