Enstatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040094 Carlson W D, Swinnea J S, Miser D E American Mineralogist 73 (1988) 1255-1263 Stability of orthoenstatite at high temperature and low pressure CELL PARAMETERS: 18.2462 8.8429 5.1902 90.000 90.000 90.000 SPACE GROUP: Pbca ATOM X Y Z OCCUPANCY ISO(B) Mg 0.37560 0.65390 0.86840 1.000 0.534 Mg 0.37690 0.48460 0.36270 0.948 0.787 Ca 0.37690 0.48460 0.36270 0.052 0.787 Si 0.27150 0.34160 0.04950 1.000 0.429 Si 0.47410 0.33790 0.79670 1.000 0.450 O 0.18340 0.33990 0.03710 1.000 0.508 O 0.31070 0.50190 0.04350 1.000 0.613 O 0.30270 0.22490 -0.17140 1.000 0.703 O 0.56270 0.34030 0.79810 1.000 0.563 O 0.43350 0.48440 0.69330 1.000 0.790 O 0.44780 0.19860 0.59880 1.000 0.753 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: 5.906767600 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.95 1.65 6.3496 2 1 0 20.08 11.53 4.4215 0 2 0 20.43 2.62 4.3473 1 1 1 22.12 2.58 4.0185 2 1 1 26.94 33.09 3.3099 1 2 1 27.93 19.20 3.1949 4 1 1 28.11 50.33 3.1748 4 2 0 28.26 100.00 3.1577 2 2 1 30.35 50.00 2.9449 3 2 1 31.10 89.46 2.8757 6 1 0 31.63 24.34 2.8284 5 1 1 31.91 2.38 2.8049 2 3 0 33.08 31.47 2.7083 4 2 1 35.36 45.86 2.5382 1 3 1 35.69 4.72 2.5154 6 1 1 35.98 64.02 2.4961 2 0 2 36.29 1.18 2.4757 4 3 0 36.31 28.42 2.4741 5 2 1 36.41 8.71 2.4676 2 3 1 37.69 7.95 2.3869 3 0 2 38.10 4.91 2.3620 3 3 1 39.09 1.27 2.3044 3 1 2 39.51 1.61 2.2808 8 0 0 40.03 6.15 2.2525 7 1 1 40.36 4.67 2.2345 4 3 1 41.31 2.65 2.1856 4 1 2 42.72 2.21 2.1165 6 3 0 42.76 29.50 2.1149 5 0 2 43.07 3.48 2.1004 3 2 2 43.13 20.56 2.0975 5 3 1 43.93 6.54 2.0608 7 2 1 44.02 12.42 2.0569 5 1 2 44.59 3.83 2.0322 8 1 1 44.71 1.27 2.0270 8 2 0 44.84 9.97 2.0214 1 4 1 45.60 5.59 1.9894 4 4 0 45.70 12.97 1.9852 2 4 1 46.33 24.76 1.9598 6 3 1 47.11 1.63 1.9289 3 4 1 48.20 5.57 1.8881 8 2 1 49.04 1.82 1.8576 4 4 1 49.11 1.74 1.8550 3 3 2 49.57 5.65 1.8391 7 0 2 50.64 5.83 1.8025 6 2 2 50.98 1.23 1.7913 4 3 2 51.11 7.80 1.7870 10 1 0 51.43 6.88 1.7766 5 4 1 52.72 10.24 1.7363 2 5 0 53.80 8.19 1.7039 8 3 1 54.00 5.22 1.6980 7 2 2 54.56 7.50 1.6819 8 1 2 54.78 1.68 1.6758 1 4 2 55.01 2.27 1.6692 2 1 3 55.53 5.69 1.6550 2 4 2 55.83 2.25 1.6466 2 5 1 56.25 3.83 1.6354 3 1 3 56.76 2.51 1.6219 3 4 2 57.17 18.24 1.6111 0 2 3 57.42 11.70 1.6049 1 2 3 57.70 7.04 1.5976 9 0 2 58.00 11.74 1.5901 9 3 1 58.11 2.52 1.5874 8 4 0 58.73 2.14 1.5722 9 1 2 58.75 1.53 1.5716 4 5 1 60.56 6.50 1.5288 6 5 0 60.88 2.09 1.5216 5 5 1 60.93 6.60 1.5205 12 0 0 60.99 1.03 1.5191 4 2 3 61.74 2.79 1.5025 9 2 2 62.45 25.27 1.4871 1 3 3 62.48 22.15 1.4864 10 3 1 62.67 1.95 1.4825 6 1 3 63.08 22.50 1.4738 0 6 0 63.14 4.60 1.4725 2 3 3 63.14 1.65 1.4724 6 4 2 65.71 9.17 1.4210 3 5 2 66.07 1.23 1.4142 10 2 2 66.09 1.18 1.4138 7 4 2 66.36 1.18 1.4086 7 5 1 66.95 11.29 1.3976 11 0 2 67.23 23.73 1.3926 11 3 1 67.61 1.03 1.3857 12 2 1 67.86 1.74 1.3811 5 3 3 67.90 5.65 1.3805 11 1 2 68.46 3.05 1.3705 7 2 3 68.92 5.41 1.3625 0 4 3 69.14 2.40 1.3587 1 4 3 69.25 1.14 1.3567 5 5 2 70.27 6.74 1.3395 6 3 3 70.88 1.50 1.3295 3 4 3 72.24 11.88 1.3077 12 3 1 72.39 1.52 1.3055 4 4 3 72.89 10.47 1.2977 12 1 2 73.04 1.09 1.2954 13 2 1 73.07 1.95 1.2949 7 3 3 73.12 5.10 1.2943 1 0 4 73.44 3.01 1.2894 14 1 0 74.02 3.66 1.2806 1 1 4 74.75 2.20 1.2699 10 5 0 74.81 12.81 1.2691 2 6 2 74.82 1.34 1.2690 3 0 4 75.87 4.67 1.2540 3 6 2 76.30 4.19 1.2480 4 0 4 76.66 1.11 1.2430 10 1 3 77.58 4.89 1.2305 8 5 2 77.96 1.42 1.2255 2 5 3 79.00 2.04 1.2119 3 5 3 79.07 2.11 1.2110 5 1 4 79.22 3.20 1.2092 5 6 2 81.12 5.22 1.1855 9 5 2 81.72 1.99 1.1783 5 2 4 83.00 1.12 1.1634 5 7 1 83.74 2.12 1.1550 10 3 3 84.04 1.41 1.1517 7 1 4 84.18 1.24 1.1501 7 6 2 85.07 1.55 1.1404 16 0 0 86.24 1.63 1.1278 8 0 4 89.34 1.84 1.0966 11 5 2 89.73 1.17 1.0928 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.