Hubnerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R050069 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: 4.7851 5.7377 4.9820 90.000 89.500 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: 130.3473883 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.44 15.76 5.7377 0 1 0 18.54 61.39 4.7849 1 0 0 23.65 59.06 3.7617 0 1 1 24.22 43.68 3.6748 1 1 0 30.12 100.00 2.9668 1 1 1 30.32 97.61 2.9478 -1 1 1 31.18 20.11 2.8688 0 2 0 36.06 28.51 2.4909 0 0 2 36.13 29.88 2.4861 0 2 1 36.52 8.66 2.4605 1 2 0 37.60 18.83 2.3925 2 0 0 39.44 1.59 2.2849 0 1 2 40.69 14.48 2.2174 1 0 2 40.83 1.94 2.2100 1 2 1 40.87 2.74 2.2082 2 1 0 40.98 20.09 2.2022 -1 2 1 40.99 2.60 2.2016 -1 0 2 43.77 6.15 2.0683 1 1 2 44.06 7.57 2.0555 -1 1 2 44.76 7.77 2.0248 2 1 1 45.04 10.31 2.0128 -2 1 1 47.54 4.07 1.9126 0 3 0 48.39 14.84 1.8809 0 2 2 49.62 14.04 1.8374 2 2 0 51.45 25.06 1.7760 1 3 0 52.13 3.14 1.7544 1 2 2 52.39 4.15 1.7466 -1 2 2 52.83 15.70 1.7330 2 0 2 53.00 16.21 1.7276 2 2 1 53.25 19.77 1.7201 -2 2 1 53.32 13.52 1.7180 -2 0 2 54.82 2.18 1.6746 1 3 1 54.94 1.32 1.6711 -1 3 1 55.38 2.07 1.6590 2 1 2 55.86 1.28 1.6458 -2 1 2 57.80 4.83 1.5951 0 1 3 57.81 2.35 1.5950 3 0 0 60.22 2.01 1.5367 3 1 0 61.08 14.87 1.5171 1 1 3 61.09 4.64 1.5170 0 3 2 61.42 11.17 1.5095 -1 1 3 62.14 5.28 1.4939 2 3 0 62.62 5.36 1.4834 2 2 2 63.07 5.61 1.4739 -2 2 2 63.17 11.42 1.4719 3 1 1 63.50 11.92 1.4650 -3 1 1 64.32 10.70 1.4483 1 3 2 64.54 12.94 1.4438 -1 3 2 64.88 11.08 1.4372 0 2 3 67.15 1.91 1.3940 3 2 0 67.96 2.38 1.3793 1 2 3 68.01 11.14 1.3784 0 4 1 68.28 2.34 1.3736 -1 2 3 69.73 1.28 1.3486 3 0 2 69.94 3.69 1.3451 3 2 1 70.26 1.07 1.3398 -3 2 1 70.37 3.03 1.3379 -3 0 2 70.71 3.14 1.3324 2 1 3 71.13 4.08 1.3254 1 4 1 71.24 2.72 1.3237 -1 4 1 71.34 2.81 1.3221 -2 1 3 71.92 2.18 1.3128 3 1 2 72.55 1.65 1.3030 -3 1 2 73.78 2.97 1.2842 2 3 2 74.20 2.72 1.2781 -2 3 2 76.48 3.26 1.2455 0 0 4 77.17 2.94 1.2361 2 2 3 77.78 2.49 1.2279 -2 2 3 78.01 6.31 1.2249 3 3 0 78.35 1.14 1.2204 3 2 2 79.73 1.85 1.2027 -1 0 4 80.25 4.27 1.1962 4 0 0 80.30 6.47 1.1956 2 4 1 80.50 5.79 1.1931 -2 4 1 81.82 1.35 1.1772 -1 1 4 84.88 2.39 1.1424 0 2 4 84.90 2.30 1.1422 4 1 1 85.30 1.69 1.1378 -4 1 1 85.79 3.81 1.1326 3 1 3 86.69 4.57 1.1232 -3 1 3 87.40 3.47 1.1159 1 5 0 87.66 1.00 1.1132 1 2 4 88.11 2.74 1.1087 2 0 4 88.57 2.06 1.1041 4 2 0 88.77 5.33 1.1021 3 3 2 88.91 3.13 1.1008 -2 0 4 89.37 4.40 1.0963 -3 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.