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-Si powder data ; _database_code_amcsd 0006889 _chemical_formula_sum 'Al2.34 Si.66 O4.83' _cell_length_a 7.5655 _cell_length_b 7.6883 _cell_length_c 2.8851 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 167.814 _exptl_crystal_density_diffrn 3.146 _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 0.01140 AlT 0.14880 0.34080 0.50000 0.50000 0.01229 SiT 0.14880 0.34080 0.50000 0.33000 0.01229 AlT* 0.26550 0.20690 0.50000 0.17000 0.01520 Od 0.12620 0.21900 0.00000 1.00000 0.01824 Oab 0.35830 0.42230 0.50000 1.00000 0.01710 Oc 0.50000 0.00000 0.50000 0.49000 0.01646 Oc* 0.44900 0.05100 0.50000 0.17000 0.01773