Kolbeckite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R061040 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: 5.3800 10.1600 8.8800 90.000 91.500 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: 10.29744056 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.24 24.08 6.6848 0 1 1 17.46 34.72 5.0800 0 2 0 18.67 77.43 4.7533 1 1 0 19.07 13.46 4.6541 -1 0 1 19.52 2.68 4.5474 1 0 1 20.00 100.00 4.4385 0 0 2 21.00 1.09 4.2313 -1 1 1 21.41 7.83 4.1506 1 1 1 24.10 43.49 3.6930 1 2 0 25.96 4.79 3.4317 -1 2 1 26.30 3.46 3.3882 1 2 1 26.67 1.14 3.3424 0 2 2 27.17 3.87 3.2822 -1 1 2 28.20 1.29 3.1642 0 3 1 31.21 63.45 2.8658 1 3 0 31.49 31.77 2.8410 0 1 3 31.80 6.92 2.8141 1 2 2 32.98 1.63 2.7162 1 3 1 33.32 3.19 2.6891 2 0 0 34.20 13.47 2.6217 -1 0 3 34.50 20.47 2.5996 2 1 0 34.99 5.20 2.5643 1 0 3 35.36 1.01 2.5385 -1 1 3 36.13 2.39 2.4863 1 1 3 36.25 1.71 2.4779 2 1 1 36.81 2.01 2.4420 0 4 1 37.10 4.51 2.4230 -1 3 2 37.60 6.84 2.3924 1 3 2 38.65 1.17 2.3297 -1 2 3 38.69 1.92 2.3271 -2 0 2 39.23 4.01 2.2967 1 4 0 39.48 5.35 2.2826 2 2 1 39.64 1.85 2.2737 2 0 2 40.48 3.82 2.2283 0 3 3 40.65 6.23 2.2192 0 0 4 40.69 2.17 2.2175 1 4 1 41.66 5.41 2.1681 0 1 4 42.74 2.74 2.1156 -2 2 2 43.66 3.80 2.0731 -1 3 3 43.99 10.82 2.0586 -2 3 1 44.41 6.15 2.0397 2 3 1 44.55 3.23 2.0337 0 2 4 45.81 2.61 1.9808 0 5 1 45.88 1.05 1.9779 -2 1 3 47.11 1.42 1.9289 2 1 3 47.41 1.09 1.9175 -1 2 4 47.85 2.92 1.9008 1 5 0 48.58 2.50 1.8742 -2 2 3 49.35 1.77 1.8465 2 4 0 49.76 6.51 1.8324 2 2 3 50.00 3.34 1.8242 -1 4 3 50.58 1.66 1.8046 1 4 3 50.68 4.42 1.8014 2 4 1 52.31 5.93 1.7489 0 1 5 52.33 1.24 1.7484 3 0 1 52.50 3.80 1.7429 1 3 4 52.84 6.75 1.7326 -2 3 3 53.16 1.49 1.7231 3 1 1 53.96 5.44 1.6992 -1 0 5 54.16 6.41 1.6933 0 6 0 54.26 9.47 1.6905 3 2 0 54.88 1.60 1.6729 1 0 5 55.68 2.09 1.6507 1 1 5 56.04 2.29 1.6411 -2 2 4 56.79 5.87 1.6212 2 5 0 57.42 1.19 1.6049 -1 4 4 57.89 1.34 1.5930 -3 2 2 57.90 1.63 1.5926 1 5 3 57.95 1.32 1.5913 -1 6 1 58.05 1.68 1.5890 1 2 5 58.32 4.22 1.5821 0 6 2 58.72 2.58 1.5724 0 3 5 58.94 1.17 1.5670 3 2 2 59.48 3.53 1.5540 2 4 3 60.36 2.70 1.5336 -3 1 3 60.49 1.46 1.5306 -2 5 2 61.17 2.23 1.5151 2 5 2 61.89 2.37 1.4992 3 1 3 62.61 1.87 1.4837 -2 1 5 63.52 2.16 1.4647 3 4 0 65.18 1.04 1.4313 -2 5 3 65.64 4.26 1.4224 -1 6 3 66.13 1.19 1.4130 1 6 3 66.17 1.18 1.4123 -1 4 5 66.46 4.17 1.4068 2 2 5 66.75 1.83 1.4013 1 7 0 68.41 2.09 1.3713 -2 3 5 69.97 1.42 1.3445 4 0 0 70.31 1.56 1.3389 -1 7 2 70.67 3.28 1.3329 4 1 0 72.54 2.59 1.3031 0 7 3 72.74 1.05 1.3001 -2 1 6 72.95 1.15 1.2968 -2 6 3 73.30 1.30 1.2915 1 5 5 73.68 1.05 1.2858 -4 1 2 74.86 2.70 1.2685 2 4 5 74.87 1.81 1.2683 -3 1 5 77.17 2.57 1.2360 3 1 5 77.39 1.12 1.2331 -3 5 3 78.77 1.25 1.2150 3 5 3 79.84 1.08 1.2013 -4 2 3 79.99 2.49 1.1994 -1 6 5 86.87 1.07 1.1213 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.