Hubnerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050139 Dachs H, Stoll E, Weitzel H Zeitschrift fur Kristallographie 125 (1967) 120-129 Kristallstruktur und magnetische ordnung des hubnerits, MnWO4 Note: T = 4.2 K Locality: Henderson, North Carolina, USA CELL PARAMETERS: 4.8118 5.7491 4.9899 90.000 89.081 90.000 SPACE GROUP: P2/c ATOM X Y Z OCCUPANCY ISO(B) Mn 0.50000 0.68040 0.25000 0.970 0.905 Fe 0.50000 0.68040 0.25000 0.030 0.905 W 0.00000 0.18150 0.25000 1.000 0.400 O 0.21000 0.09870 0.55680 1.000 0.604 O 0.25280 0.37760 0.10800 1.000 0.794 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 5 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 130.0331621 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.41 15.58 5.7491 0 1 0 18.44 61.19 4.8112 1 0 0 23.61 58.38 3.7682 0 1 1 24.12 43.44 3.6896 1 1 0 29.94 100.00 2.9842 1 1 1 30.31 96.21 2.9493 -1 1 1 31.11 19.90 2.8746 0 2 0 36.00 28.18 2.4946 0 0 2 36.06 29.57 2.4907 0 2 1 36.41 8.59 2.4677 1 2 0 37.38 18.81 2.4056 2 0 0 39.37 1.57 2.2885 0 1 2 40.46 14.49 2.2293 1 0 2 40.66 1.92 2.2192 1 2 1 40.66 2.73 2.2192 2 1 0 40.93 19.85 2.2047 -1 2 1 41.02 2.56 2.2003 -1 0 2 43.54 6.14 2.0785 1 1 2 44.07 7.45 2.0549 -1 1 2 44.43 7.79 2.0389 2 1 1 44.95 10.20 2.0166 -2 1 1 47.44 4.02 1.9164 0 3 0 48.31 14.69 1.8841 0 2 2 49.40 14.01 1.8448 2 2 0 51.32 24.88 1.7803 1 3 0 51.90 3.13 1.7616 1 2 2 52.37 4.09 1.7472 -1 2 2 52.41 15.85 1.7457 2 0 2 52.69 16.27 1.7373 2 2 1 53.14 19.60 1.7234 -2 2 1 53.33 13.31 1.7179 -2 0 2 54.63 2.17 1.6799 1 3 1 54.85 1.31 1.6736 -1 3 1 54.97 2.08 1.6704 2 1 2 55.86 1.26 1.6460 -2 1 2 57.46 2.35 1.6037 3 0 0 57.70 4.78 1.5976 0 1 3 59.88 2.02 1.5448 3 1 0 60.81 14.85 1.5232 1 1 3 60.97 4.60 1.5197 0 3 2 61.43 10.99 1.5092 -1 1 3 61.90 5.26 1.4989 2 3 0 62.22 5.38 1.4921 2 2 2 62.68 11.53 1.4821 3 1 1 63.04 5.53 1.4746 -2 2 2 63.30 11.86 1.4692 -3 1 1 64.08 10.67 1.4532 1 3 2 64.48 12.78 1.4451 -1 3 2 64.76 10.97 1.4395 0 2 3 66.80 1.91 1.4005 3 2 0 67.68 2.37 1.3844 1 2 3 67.86 11.04 1.3811 0 4 1 68.27 2.31 1.3739 -1 2 3 69.12 1.28 1.3590 3 0 2 69.45 3.72 1.3533 3 2 1 70.03 1.06 1.3435 -3 2 1 70.22 3.15 1.3404 2 1 3 70.29 3.00 1.3393 -3 0 2 70.91 4.05 1.3291 1 4 1 71.10 2.69 1.3259 -1 4 1 71.31 2.20 1.3225 3 1 2 71.38 2.76 1.3215 -2 1 3 72.46 1.63 1.3044 -3 1 2 73.36 2.97 1.2905 2 3 2 74.12 2.68 1.2792 -2 3 2 76.35 3.23 1.2473 0 0 4 76.67 2.94 1.2429 2 2 3 77.63 6.30 1.2299 3 3 0 77.73 1.14 1.2286 3 2 2 77.79 2.45 1.2278 -2 2 3 79.72 4.28 1.2028 4 0 0 79.73 1.82 1.2027 -1 0 4 79.94 6.45 1.2000 2 4 1 80.31 5.73 1.1955 -2 4 1 81.82 1.33 1.1772 -1 1 4 84.20 2.31 1.1499 4 1 1 84.71 2.36 1.1442 0 2 4 84.93 1.67 1.1418 -4 1 1 85.04 3.83 1.1406 3 1 3 86.68 4.50 1.1232 -3 1 3 87.16 3.44 1.1183 1 5 0 87.52 2.74 1.1146 2 0 4 88.02 2.05 1.1096 4 2 0 88.13 5.33 1.1085 3 3 2 88.98 3.08 1.1001 -2 0 4 89.22 4.34 1.0978 -3 3 2 89.80 1.77 1.0921 1 5 1 89.99 1.27 1.0904 -1 5 1 89.99 2.01 1.0903 4 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.