Enstatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070097 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: 18.2120 8.8120 5.1790 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: 5.946457236 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.99 1.65 6.3324 2 1 0 20.15 11.52 4.4060 0 2 0 20.48 2.62 4.3365 1 1 1 22.17 2.59 4.0090 2 1 1 27.02 33.08 3.3003 1 2 1 27.99 19.23 3.1879 4 1 1 28.18 50.36 3.1662 4 2 0 28.34 100.00 3.1488 2 2 1 30.44 50.03 2.9370 3 2 1 31.17 89.66 2.8699 6 1 0 31.70 24.39 2.8224 5 1 1 32.02 2.37 2.7955 2 3 0 33.16 31.50 2.7014 4 2 1 35.48 45.79 2.5302 1 3 1 35.77 4.73 2.5102 6 1 1 36.06 64.11 2.4907 2 0 2 36.40 1.17 2.4683 4 3 0 36.40 28.45 2.4680 5 2 1 36.53 8.73 2.4600 2 3 1 37.77 7.98 2.3819 3 0 2 38.22 4.88 2.3549 3 3 1 39.18 1.28 2.2993 3 1 2 39.59 1.61 2.2765 8 0 0 40.11 6.16 2.2479 7 1 1 40.48 4.65 2.2281 4 3 1 41.40 2.65 2.1809 4 1 2 42.84 2.20 2.1108 6 3 0 42.85 29.53 2.1105 5 0 2 43.18 3.48 2.0953 3 2 2 43.25 20.51 2.0917 5 3 1 44.04 6.54 2.0562 7 2 1 44.12 12.42 2.0525 5 1 2 44.68 3.83 2.0281 8 1 1 44.81 1.27 2.0225 8 2 0 44.99 9.94 2.0148 1 4 1 45.75 5.58 1.9831 4 4 0 45.86 12.94 1.9788 2 4 1 46.46 24.72 1.9547 6 3 1 47.27 1.63 1.9228 3 4 1 48.31 5.57 1.8839 8 2 1 49.20 1.82 1.8519 4 4 1 49.25 1.73 1.8500 3 3 2 49.67 5.65 1.8354 7 0 2 50.77 5.82 1.7984 6 2 2 51.12 1.23 1.7866 4 3 2 51.22 7.81 1.7835 10 1 0 51.60 6.86 1.7714 5 4 1 52.92 10.18 1.7303 2 5 0 53.94 8.18 1.6997 8 3 1 54.13 5.22 1.6942 7 2 2 54.68 7.51 1.6784 8 1 2 54.95 1.68 1.6709 1 4 2 55.14 2.27 1.6655 2 1 3 55.70 5.68 1.6502 2 4 2 56.04 2.24 1.6411 2 5 1 56.39 3.83 1.6318 3 1 3 56.94 2.50 1.6173 3 4 2 57.32 18.22 1.6074 0 2 3 57.56 11.69 1.6011 1 2 3 57.83 7.04 1.5945 9 0 2 58.15 11.74 1.5863 9 3 1 58.28 2.51 1.5831 8 4 0 58.86 2.14 1.5690 9 1 2 58.96 1.52 1.5666 4 5 1 60.77 6.50 1.5241 6 5 0 61.06 6.61 1.5177 12 0 0 61.09 2.08 1.5169 5 5 1 61.15 1.04 1.5157 4 2 3 61.89 2.78 1.4993 9 2 2 62.63 25.21 1.4834 1 3 3 62.64 22.12 1.4830 10 3 1 62.82 1.95 1.4793 6 1 3 63.32 4.59 1.4688 2 3 3 63.32 22.37 1.4687 0 6 0 63.33 1.65 1.4685 6 4 2 65.93 9.14 1.4167 3 5 2 66.23 1.23 1.4112 10 2 2 66.28 1.18 1.4101 7 4 2 66.58 1.17 1.4045 7 5 1 67.10 11.29 1.3949 11 0 2 67.40 23.70 1.3894 11 3 1 67.77 1.03 1.3828 12 2 1 68.05 5.64 1.3777 11 1 2 68.05 1.74 1.3777 5 3 3 68.63 3.05 1.3674 7 2 3 69.13 5.40 1.3588 0 4 3 69.35 2.40 1.3551 1 4 3 69.48 1.14 1.3528 5 5 2 70.47 6.74 1.3363 6 3 3 71.10 1.49 1.3260 3 4 3 72.43 11.87 1.3048 12 3 1 72.61 1.52 1.3021 4 4 3 73.06 10.48 1.2951 12 1 2 73.21 1.09 1.2928 13 2 1 73.27 1.95 1.2919 7 3 3 73.30 5.10 1.2915 1 0 4 73.60 3.02 1.2869 14 1 0 74.21 3.66 1.2778 1 1 4 74.99 2.19 1.2665 10 5 0 75.01 1.34 1.2663 3 0 4 75.09 12.75 1.2651 2 6 2 76.15 4.66 1.2501 3 6 2 76.49 4.20 1.2454 4 0 4 76.85 1.11 1.2404 10 1 3 77.84 4.88 1.2272 8 5 2 78.22 1.41 1.2221 2 5 3 79.27 2.03 1.2086 3 5 3 79.28 2.11 1.2084 5 1 4 79.51 3.18 1.2055 5 6 2 81.39 5.21 1.1824 9 5 2 81.94 1.99 1.1757 5 2 4 83.34 1.11 1.1596 5 7 1 83.97 2.12 1.1524 10 3 3 84.26 1.41 1.1492 7 1 4 84.49 1.23 1.1467 7 6 2 85.26 1.55 1.1382 16 0 0 86.47 1.63 1.1255 8 0 4 89.63 1.84 1.0938 11 5 2 89.98 1.17 1.0904 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.