Jadeite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070117 Prewitt C T, Burnham C W American Mineralogist 51 (1966) 956-975 The crystal structure of jadeite, NaAlSi2O6 CELL PARAMETERS: 9.4630 8.6060 5.2450 90.000 107.570 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Na 0.00000 0.30090 0.25000 1.000 0.954 Al 0.00000 0.09400 0.75000 1.000 0.412 Si 0.29060 0.09340 0.22770 1.000 0.407 O 0.10900 0.07630 0.12750 1.000 0.363 O 0.36080 0.26300 0.29290 1.000 0.489 O 0.35330 0.00700 0.00580 1.000 0.487 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 10.50694731 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.22 5.07 6.2271 1 1 0 19.68 1.59 4.5108 2 0 0 20.33 12.93 4.3685 -1 1 1 20.64 20.44 4.3030 0 2 0 25.06 1.13 3.5541 1 1 1 27.34 13.28 3.2616 0 2 1 28.67 10.94 3.1135 2 2 0 30.50 100.00 2.9313 -2 2 1 31.49 27.57 2.8406 -3 1 1 31.51 43.39 2.8389 3 1 0 35.41 4.02 2.5352 -2 0 2 35.92 39.20 2.5002 0 0 2 35.97 17.41 2.4968 -1 3 1 37.06 32.86 2.4259 2 2 1 38.97 1.24 2.3114 1 3 1 40.78 14.51 2.2128 3 1 1 41.64 16.24 2.1691 1 1 2 41.79 9.78 2.1618 0 2 2 43.59 13.35 2.0764 -3 3 1 43.60 6.66 2.0757 3 3 0 44.09 6.34 2.0539 -4 2 1 45.30 6.42 2.0020 -4 0 2 45.92 19.51 1.9763 0 4 1 46.54 3.05 1.9512 2 0 2 46.95 3.40 1.9352 -1 3 2 48.00 5.84 1.8952 -2 4 1 49.39 2.16 1.8451 -5 1 1 50.26 2.80 1.8152 -4 2 2 50.99 1.00 1.7909 -3 3 2 51.76 1.92 1.7662 1 3 2 51.77 6.76 1.7659 5 1 0 53.90 1.04 1.7011 -1 1 3 54.00 1.44 1.6981 -5 1 2 54.26 7.86 1.6907 1 5 0 55.40 6.63 1.6584 -3 1 3 55.47 2.15 1.6567 3 1 2 56.42 5.85 1.6308 0 4 2 56.46 1.02 1.6299 -1 5 1 56.98 13.92 1.6163 -2 2 3 58.50 18.69 1.5777 -5 3 1 59.37 8.15 1.5568 4 4 0 61.64 5.25 1.5047 -6 0 2 61.69 2.87 1.5036 6 0 0 62.14 5.41 1.4938 3 5 0 62.56 13.31 1.4848 -1 3 3 62.74 1.50 1.4808 -6 2 1 63.33 6.14 1.4686 4 0 2 64.47 1.14 1.4453 2 4 2 65.02 5.15 1.4343 0 6 0 65.75 1.12 1.4203 -6 2 2 67.37 4.01 1.3899 4 2 2 67.99 1.35 1.3787 0 6 1 68.12 12.78 1.3765 -3 5 2 68.69 16.33 1.3664 5 3 1 68.76 1.25 1.3652 1 5 2 69.26 5.84 1.3565 2 2 3 69.37 2.84 1.3548 -2 4 3 72.47 3.59 1.3042 -5 3 3 72.49 9.22 1.3039 -7 1 2 73.57 6.88 1.2874 -3 1 4 74.20 1.83 1.2781 -1 1 4 74.36 1.02 1.2757 5 1 2 74.43 1.41 1.2746 7 1 0 74.51 3.29 1.2735 6 2 1 76.15 4.03 1.2501 0 0 4 76.27 2.89 1.2484 -2 6 2 76.58 8.61 1.2441 0 6 2 78.24 2.00 1.2218 -7 3 1 78.92 1.45 1.2130 4 4 2 79.53 7.96 1.2052 3 5 2 80.37 1.82 1.1948 -1 7 1 82.21 1.81 1.1726 1 7 1 84.53 4.51 1.1463 -6 0 4 85.36 1.20 1.1372 -8 2 1 85.64 1.07 1.1342 -6 4 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.