Enstatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040093 Hugh-Jones D A, Angel R J American Mineralogist 79 (1994) 405-410 A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 0 GPa CELL PARAMETERS: 18.2566 8.8467 5.1917 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Mg 0.37630 0.65410 0.86630 1.000 0.670 Mg 0.37690 0.48720 0.35890 1.000 0.820 Si 0.27150 0.34180 0.05060 1.000 0.580 Si 0.47360 0.33740 0.79810 1.000 0.590 O 0.18350 0.34070 0.03400 1.000 0.640 O 0.31140 0.50290 0.04300 1.000 0.610 O 0.30250 0.22240 0.83200 1.000 0.430 O 0.56220 0.34140 0.79800 1.000 0.950 O 0.43240 0.48360 0.69000 1.000 0.570 O 0.44830 0.19510 0.60300 1.000 0.570 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.752291306 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.94 2.06 6.3528 2 1 0 20.07 11.59 4.4233 0 2 0 20.42 3.43 4.3487 1 1 1 22.11 2.64 4.0200 2 1 1 26.93 34.73 3.3112 1 2 1 27.91 20.07 3.1963 4 1 1 28.09 52.02 3.1764 4 2 0 28.25 100.00 3.1590 2 2 1 30.34 47.65 2.9461 3 2 1 31.08 93.55 2.8773 6 1 0 31.62 23.62 2.8297 5 1 1 31.89 2.87 2.8061 2 3 0 33.06 29.44 2.7095 4 2 1 35.35 46.47 2.5392 1 3 1 35.68 3.84 2.5167 6 1 1 35.97 65.48 2.4969 2 0 2 36.27 1.40 2.4769 4 3 0 36.29 28.27 2.4752 5 2 1 36.39 8.34 2.4686 2 3 1 37.67 7.23 2.3877 3 0 2 38.08 6.35 2.3629 3 3 1 39.08 1.33 2.3052 3 1 2 39.49 1.95 2.2821 8 0 0 40.01 5.45 2.2537 7 1 1 40.35 4.11 2.2355 4 3 1 41.29 2.30 2.1864 4 1 2 42.70 1.93 2.1176 6 3 0 42.74 29.51 2.1157 5 0 2 43.05 2.86 2.1011 3 2 2 43.11 21.10 2.0984 5 3 1 43.91 6.60 2.0619 7 2 1 44.01 13.33 2.0577 5 1 2 44.56 3.16 2.0332 8 1 1 44.68 1.09 2.0281 8 2 0 44.82 9.29 2.0222 1 4 1 45.58 5.97 1.9903 4 4 0 45.68 12.73 1.9860 2 4 1 46.30 26.62 1.9608 6 3 1 47.09 1.60 1.9297 3 4 1 48.17 5.45 1.8891 8 2 1 49.02 2.13 1.8584 4 4 1 49.09 1.93 1.8557 3 3 2 49.54 5.29 1.8399 7 0 2 50.62 5.88 1.8033 6 2 2 51.08 7.62 1.7880 10 1 0 51.41 7.56 1.7774 5 4 1 52.70 8.93 1.7370 2 5 0 53.77 8.14 1.7047 8 3 1 53.98 5.18 1.6988 7 2 2 54.23 1.03 1.6914 6 4 1 54.54 7.40 1.6826 8 1 2 54.76 1.74 1.6764 1 4 2 54.99 2.00 1.6697 2 1 3 55.50 5.39 1.6556 2 4 2 55.81 2.42 1.6473 2 5 1 56.23 4.06 1.6359 3 1 3 56.74 2.61 1.6226 3 4 2 57.16 17.37 1.6116 0 2 3 57.40 11.69 1.6054 1 2 3 57.44 1.23 1.6043 7 4 1 57.67 6.50 1.5984 9 0 2 57.97 11.42 1.5909 9 3 1 58.08 2.24 1.5882 8 4 0 58.70 2.21 1.5729 9 1 2 58.72 1.82 1.5722 4 5 1 60.53 6.44 1.5295 6 5 0 60.85 2.07 1.5223 5 5 1 60.89 6.65 1.5214 12 0 0 60.97 1.26 1.5197 4 2 3 61.71 3.18 1.5032 9 2 2 62.43 27.17 1.4876 1 3 3 62.45 22.26 1.4872 10 3 1 62.64 2.16 1.4830 6 1 3 63.05 23.36 1.4744 0 6 0 63.05 1.07 1.4744 5 2 3 63.11 1.68 1.4731 6 4 2 63.12 3.61 1.4730 2 3 3 65.68 8.52 1.4216 3 5 2 66.03 1.01 1.4149 10 2 2 66.05 1.07 1.4144 7 4 2 66.92 11.79 1.3983 11 0 2 67.19 23.68 1.3933 11 3 1 67.84 1.99 1.3816 5 3 3 67.85 1.07 1.3813 3 6 1 67.86 5.49 1.3812 11 1 2 68.43 3.11 1.3710 7 2 3 68.89 5.53 1.3629 0 4 3 69.11 2.58 1.3591 1 4 3 70.24 6.51 1.3400 6 3 3 70.85 1.67 1.3300 3 4 3 72.20 11.75 1.3084 12 3 1 72.36 1.43 1.3059 4 4 3 72.85 9.82 1.2984 12 1 2 73.04 1.84 1.2954 7 3 3 73.09 5.36 1.2947 1 0 4 73.39 2.81 1.2901 14 1 0 74.00 3.36 1.2810 1 1 4 74.71 2.31 1.2706 10 5 0 74.78 12.14 1.2696 2 6 2 74.79 1.18 1.2694 3 0 4 75.83 4.47 1.2545 3 6 2 76.27 3.63 1.2484 4 0 4 77.54 4.67 1.2311 8 5 2 77.93 1.36 1.2260 2 5 3 78.97 2.38 1.2124 3 5 3 79.04 2.33 1.2114 5 1 4 79.18 3.41 1.2097 5 6 2 81.08 4.80 1.1861 9 5 2 81.32 1.20 1.1831 6 1 4 81.69 2.19 1.1787 5 2 4 82.96 1.19 1.1639 5 7 1 83.70 2.23 1.1555 10 3 3 84.00 1.39 1.1521 7 1 4 84.14 1.30 1.1506 7 6 2 85.01 1.47 1.1410 16 0 0 86.21 1.42 1.1282 8 0 4 89.29 1.63 1.0971 11 5 2 89.69 1.11 1.0932 8 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.