Hausmannite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110179 Baron V, Gutzmer J, Rundlof H, Tellgren R American Mineralogist 83 (1998) 786-793 The influence of iron substitution on the magnetic properties of hausmannite, Mn(Fe,Mn)2O4 Sample at T = 295 K, natural _database_code_amcsd 0002024 CELL PARAMETERS: 5.7690 5.7690 9.4480 90.000 90.000 90.000 ALTERNATE SETTING FOR SPACE GROUP: I4_1/amd ATOM X Y Z OCCUPANCY ISO(B) Mn 0.00000 0.75000 0.12500 1.000 0.700 Mn 0.00000 0.00000 0.50000 1.000 0.700 O 0.00000 0.47230 0.25920 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 42.87024889 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.02 23.08 4.9237 1 0 1 28.92 36.93 3.0875 1 1 2 31.00 15.56 2.8845 2 0 0 32.39 74.46 2.7643 1 0 3 36.09 100.00 2.4888 2 1 1 36.50 13.91 2.4618 2 0 2 38.10 17.76 2.3620 0 0 4 44.42 20.04 2.0396 2 2 0 49.90 6.19 1.8275 2 0 4 50.85 23.28 1.7957 1 0 5 53.87 9.70 1.7018 3 1 2 56.03 8.29 1.6412 3 0 3 58.51 29.36 1.5776 3 2 1 59.92 52.05 1.5437 2 2 4 63.31 2.51 1.4690 1 1 6 64.62 19.16 1.4423 4 0 0 67.80 2.93 1.3821 2 0 6 69.78 5.17 1.3478 3 0 5 72.31 1.56 1.3067 3 3 2 73.40 1.40 1.2900 4 2 0 74.16 9.43 1.2787 4 1 3 76.56 4.48 1.2444 4 2 2 77.55 4.17 1.2309 4 0 4 78.30 1.00 1.2211 3 2 5 80.27 5.31 1.1959 2 1 7 80.59 2.63 1.1920 3 1 6 81.50 4.10 1.1810 0 0 8 85.83 2.26 1.1321 4 2 4 86.56 6.73 1.1245 4 1 5 88.96 1.95 1.1003 5 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.