Metamunirite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060624 Kato K, Takayama E Acta Crystallographica B40 (1984) 102-105 Das entwaesserungsverhalten des natriummetavanadatdihydrats und die kristallstruktur des beta-natriummetavanadats Note: anisoB's corrected from ICSD CELL PARAMETERS: 14.2000 3.6700 5.5400 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Na 0.33030 0.25000 -0.11500 1.000 1.600 V 0.08440 0.25000 -0.07600 1.000 0.600 O 0.18400 0.25000 0.10000 1.000 1.700 O 0.11000 0.25000 -0.37300 1.000 1.700 O -0.05200 0.25000 0.00600 1.000 1.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 13 +/- 3 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 20.30204867 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.47 17.23 7.1000 2 0 0 17.18 100.00 5.1611 1 0 1 20.33 5.17 4.3677 2 0 1 24.74 7.88 3.5987 3 0 1 25.08 25.54 3.5500 4 0 0 27.36 29.82 3.2602 2 1 0 29.19 22.40 3.0596 0 1 1 29.87 36.74 2.9909 1 1 1 29.89 30.45 2.9890 4 0 1 31.85 2.68 2.8098 2 1 1 32.32 14.54 2.7700 0 0 2 32.95 2.88 2.7188 1 0 2 34.76 4.02 2.5806 2 0 2 34.92 4.33 2.5695 3 1 1 35.17 11.98 2.5516 4 1 0 35.52 6.48 2.5273 5 0 1 37.62 6.61 2.3907 3 0 2 38.02 2.62 2.3667 6 0 0 38.86 9.65 2.3176 4 1 1 41.49 1.35 2.1764 6 0 1 42.84 2.44 2.1109 2 1 2 45.27 12.72 2.0032 3 1 2 45.61 1.68 1.9890 6 1 0 47.75 10.11 1.9049 7 0 1 48.64 2.23 1.8720 6 1 1 49.68 17.71 1.8350 0 2 0 49.79 2.65 1.8312 1 0 3 50.74 1.92 1.7994 6 0 2 51.11 1.88 1.7872 2 0 3 51.48 3.26 1.7750 8 0 0 52.45 10.00 1.7446 5 1 2 52.96 6.96 1.7290 1 2 1 54.27 3.11 1.6904 8 0 1 55.72 7.12 1.6496 0 1 3 56.14 10.09 1.6383 4 0 3 56.27 1.08 1.6347 3 2 1 56.45 3.56 1.6301 4 2 0 57.34 1.74 1.6068 2 1 3 57.69 8.93 1.5979 8 1 0 59.07 5.64 1.5638 4 2 1 60.52 3.07 1.5298 0 2 2 60.91 1.16 1.5210 1 2 2 62.04 4.06 1.4960 4 1 3 62.10 4.02 1.4947 7 1 2 62.11 1.07 1.4945 8 0 2 62.55 2.50 1.4849 5 2 1 63.96 2.44 1.4556 3 2 2 66.70 6.06 1.4023 9 1 1 67.69 1.94 1.3841 8 1 2 69.45 3.23 1.3533 6 1 3 70.90 1.95 1.3293 3 0 4 71.37 4.31 1.3216 7 2 1 72.99 1.02 1.2962 1 2 3 73.37 1.57 1.2904 1 1 4 73.75 1.01 1.2848 6 2 2 74.05 1.11 1.2803 2 2 3 74.08 1.52 1.2799 7 1 3 74.09 2.62 1.2797 8 0 3 74.35 1.47 1.2758 8 2 0 76.64 1.58 1.2433 8 2 1 78.22 5.44 1.2221 4 2 3 78.59 1.48 1.2172 4 1 4 80.73 1.19 1.1904 1 3 1 81.68 2.36 1.1789 5 1 4 89.81 1.09 1.0920 7 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.