Bixbyite-(Mn) Cockayne E, Levin I, Wu H, Llobet A Physical Review B87 (2013) 184413 Magnetic structure of bixbyite alpha-Mn2O3: A combined DFT+U and neutron diffraction study Note: T = 100 K Locality: synthetic _database_code_amcsd 0021111 CELL PARAMETERS: 9.4104 9.4509 9.3706 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 833.391 Density (g/cm3): 5.032 MAX. ABS. INTENSITY / VOLUME**2: 83.56383799 RIR: 5.407 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 23.10 5.56 3.8500 1 2 1 8 23.15 5.71 3.8418 2 1 1 8 23.20 4.73 3.8336 1 1 2 8 28.50 1.10 3.1324 2 1 2 8 32.97 100.00 2.7166 2 2 2 8 38.09 6.09 2.3627 0 4 0 2 38.26 6.07 2.3526 4 0 0 2 38.43 5.95 2.3426 0 0 4 2 45.15 3.26 2.0083 3 3 2 8 45.19 3.44 2.0063 2 3 3 8 45.24 3.00 2.0044 3 2 3 8 49.25 2.21 1.8501 3 4 1 8 49.31 2.18 1.8480 4 3 1 8 49.32 2.28 1.8477 1 4 3 8 49.44 1.94 1.8434 1 3 4 8 49.45 2.27 1.8431 4 1 3 8 49.51 1.60 1.8410 3 1 4 8 55.09 11.80 1.6671 4 4 0 4 55.22 13.03 1.6636 0 4 4 4 55.34 11.83 1.6600 4 0 4 4 60.40 1.07 1.5326 1 6 1 8 60.66 1.20 1.5266 6 1 1 8 60.93 1.00 1.5206 1 1 6 8 63.96 1.42 1.4556 4 5 1 8 64.02 1.26 1.4543 5 4 1 8 64.07 1.17 1.4534 1 5 4 8 64.20 1.05 1.4507 1 4 5 8 64.31 1.44 1.4485 4 1 5 8 65.60 7.22 1.4231 2 6 2 8 65.83 6.29 1.4187 6 2 2 8 66.06 7.07 1.4143 2 2 6 8 67.31 1.01 1.3910 1 6 3 8 67.75 1.12 1.3830 3 1 6 8 69.16 3.43 1.3583 4 4 4 8 81.47 1.01 1.1814 0 8 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.