Kolbeckite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060981 Yang H, Li C, Jenkins R A, Downs R T, Costin G Acta Crystallographica C63 (2007) i91-i92 Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite Locality: Hot Springs County, Arkansas, USA CELL PARAMETERS: 5.4258 10.2027 8.9074 90.000 90.502 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Sc 0.41180 0.33384 0.29797 0.940 0.975 V 0.41180 0.33384 0.29797 0.030 0.975 Fe 0.41180 0.33384 0.29797 0.020 0.975 Al 0.41180 0.33384 0.29797 0.010 0.975 P -0.08648 0.15360 0.17938 1.000 0.945 O 0.16573 0.18718 0.24833 1.000 1.657 O -0.10604 0.20645 0.02028 1.000 2.003 O -0.28691 0.21526 0.27535 1.000 1.475 O -0.11366 0.00430 0.18163 1.000 1.344 O 0.10392 0.46097 0.29539 1.000 3.822 O 0.43332 0.36350 0.05529 1.000 3.146 H -0.02758 0.46121 0.28771 1.000 1.631 H 0.15760 0.53565 0.27518 1.000 4.250 H 0.31004 0.32961 -0.01456 1.000 3.381 H 0.34954 0.40089 0.06978 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 9 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 10.06110857 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.19 24.08 6.7099 0 1 1 17.38 34.76 5.1013 0 2 0 18.52 78.27 4.7904 1 1 0 19.08 13.32 4.6518 -1 0 1 19.23 2.75 4.6157 1 0 1 19.94 100.00 4.4535 0 0 2 20.99 1.08 4.2326 -1 1 1 21.13 8.01 4.2054 1 1 1 23.94 43.90 3.7165 1 2 0 25.92 4.77 3.4373 -1 2 1 26.03 3.54 3.4226 1 2 1 26.57 1.13 3.3549 0 2 2 27.24 3.81 3.2744 -1 1 2 28.09 1.29 3.1772 0 3 1 31.03 64.02 2.8816 1 3 0 31.38 31.85 2.8508 0 1 3 31.44 7.11 2.8451 1 2 2 32.71 1.66 2.7380 1 3 1 33.02 3.25 2.7128 2 0 0 34.20 20.86 2.6217 2 1 0 34.30 13.23 2.6142 -1 0 3 34.56 5.35 2.5950 1 0 3 35.70 2.44 2.5149 1 1 3 35.78 1.78 2.5093 2 1 1 36.65 2.03 2.4521 0 4 1 37.08 4.47 2.4245 -1 3 2 37.24 6.97 2.4142 1 3 2 38.70 1.16 2.3265 -1 2 3 38.71 1.90 2.3259 -2 0 2 39.02 5.51 2.3085 2 2 1 39.02 4.05 2.3083 1 4 0 39.03 1.96 2.3078 2 0 2 40.32 3.82 2.2366 0 3 3 40.40 2.22 2.2325 1 4 1 40.51 6.26 2.2268 0 0 4 41.51 5.44 2.1756 0 1 4 42.73 2.72 2.1163 -2 2 2 43.67 3.76 2.0726 -1 3 3 43.81 10.89 2.0663 -2 3 1 43.96 6.37 2.0599 2 3 1 44.39 3.25 2.0408 0 2 4 45.61 2.64 1.9890 0 5 1 45.99 1.03 1.9735 -2 1 3 46.40 1.51 1.9570 2 1 3 47.47 1.07 1.9152 -1 2 4 47.61 2.95 1.9099 1 5 0 48.66 2.46 1.8713 -2 2 3 48.80 1.00 1.8663 1 5 1 49.02 1.80 1.8583 2 4 0 49.05 6.78 1.8572 2 2 3 49.96 3.32 1.8256 -1 4 3 50.15 1.71 1.8191 1 4 3 50.21 4.54 1.8169 2 4 1 51.66 1.30 1.7693 3 0 1 52.02 3.93 1.7580 1 3 4 52.12 5.97 1.7549 0 1 5 52.49 1.55 1.7433 3 1 1 52.88 6.67 1.7313 -2 3 3 53.78 9.72 1.7046 3 2 0 53.92 6.46 1.7004 0 6 0 54.04 5.36 1.6969 -1 0 5 54.34 1.64 1.6881 1 0 5 55.15 2.14 1.6655 1 1 5 56.18 2.24 1.6372 -2 2 4 56.43 5.96 1.6307 2 5 0 57.39 1.18 1.6056 -1 4 4 57.45 1.66 1.6040 1 5 3 57.50 1.74 1.6027 1 2 5 57.72 1.33 1.5971 -1 6 1 57.75 1.34 1.5964 -3 2 2 58.06 4.25 1.5886 0 6 2 58.10 1.21 1.5876 3 2 2 58.49 2.59 1.5780 0 3 5 58.78 3.66 1.5709 2 4 3 60.34 1.46 1.5339 -2 5 2 60.38 2.67 1.5330 -3 1 3 60.57 2.29 1.5287 2 5 2 60.89 2.49 1.5214 3 1 3 62.82 1.82 1.4793 -2 1 5 63.01 2.20 1.4753 3 4 0 65.12 1.03 1.4325 -2 5 3 65.48 4.26 1.4254 -1 6 3 65.55 4.36 1.4241 2 2 5 65.64 1.21 1.4223 1 6 3 66.14 1.17 1.4128 -1 4 5 66.42 1.85 1.4076 1 7 0 68.56 2.05 1.3687 -2 3 5 69.27 1.47 1.3564 4 0 0 69.97 3.38 1.3446 4 1 0 70.06 1.57 1.3431 -1 7 2 72.20 2.62 1.3084 0 7 3 72.70 1.33 1.3007 1 5 5 72.83 1.15 1.2986 -2 6 3 72.97 1.03 1.2965 -2 1 6 73.38 1.05 1.2903 -4 1 2 73.92 2.81 1.2821 2 4 5 75.10 1.78 1.2649 -3 1 5 75.87 2.72 1.2540 3 1 5 77.28 1.12 1.2346 -3 5 3 77.74 1.29 1.2285 3 5 3 79.71 1.08 1.2029 -4 2 3 79.85 2.48 1.2012 -1 6 5 86.07 1.09 1.1296 4 5 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.