Enstatite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070387 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: 18.3170 8.9170 5.2207 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: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 8 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 5.814968671 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.86 1.64 6.3889 2 1 0 19.91 11.55 4.4585 0 2 0 20.30 2.61 4.3749 1 1 1 21.99 2.57 4.0427 2 1 1 26.74 33.13 3.3338 1 2 1 27.78 19.10 3.2116 4 1 1 27.93 50.21 3.1945 4 2 0 28.06 100.00 3.1795 2 2 1 30.15 49.93 2.9641 3 2 1 30.96 88.81 2.8883 6 1 0 31.47 24.22 2.8423 5 1 1 31.65 2.39 2.8272 2 3 0 32.87 31.39 2.7248 4 2 1 35.08 46.01 2.5577 1 3 1 35.52 4.69 2.5273 6 1 1 35.77 63.91 2.5104 2 0 2 36.02 1.18 2.4932 4 3 0 36.10 28.33 2.4883 5 2 1 36.13 8.68 2.4860 2 3 1 37.47 7.90 2.4002 3 0 2 37.82 4.98 2.3789 3 3 1 38.86 1.25 2.3177 3 1 2 39.35 1.62 2.2896 8 0 0 39.84 6.12 2.2627 7 1 1 40.08 4.73 2.2498 4 3 1 41.07 2.68 2.1978 4 1 2 42.45 2.22 2.1296 6 3 0 42.52 29.44 2.1259 5 0 2 42.79 3.50 2.1134 3 2 2 42.84 20.67 2.1110 5 3 1 43.70 6.54 2.0715 7 2 1 43.78 12.41 2.0679 5 1 2 44.38 3.80 2.0412 8 1 1 44.47 10.05 2.0374 1 4 1 44.48 1.27 2.0368 8 2 0 45.24 5.61 2.0044 4 4 0 45.33 13.05 2.0007 2 4 1 46.03 24.84 1.9719 6 3 1 46.74 1.63 1.9435 3 4 1 47.94 5.55 1.8975 8 2 1 48.66 1.83 1.8712 4 4 1 48.77 1.75 1.8674 3 3 2 49.31 5.65 1.8480 7 0 2 50.34 5.84 1.8126 6 2 2 50.63 1.24 1.8029 4 3 2 50.89 7.76 1.7942 10 1 0 51.05 6.91 1.7891 5 4 1 52.26 10.39 1.7505 2 5 0 53.48 8.18 1.7134 8 3 1 53.69 5.22 1.7072 7 2 2 54.28 7.47 1.6901 8 1 2 54.35 1.70 1.6880 1 4 2 54.66 2.28 1.6791 2 1 3 55.10 5.72 1.6669 2 4 2 55.35 2.28 1.6597 2 5 1 55.90 3.84 1.6449 3 1 3 56.32 2.52 1.6334 3 4 2 56.79 18.31 1.6211 0 2 3 57.03 11.75 1.6148 1 2 3 57.41 7.02 1.6050 9 0 2 57.66 11.72 1.5986 9 3 1 57.72 2.54 1.5972 8 4 0 58.27 1.55 1.5835 4 5 1 58.42 2.13 1.5796 9 1 2 60.08 6.52 1.5399 6 5 0 60.39 2.11 1.5328 5 5 1 60.59 1.03 1.5282 4 2 3 60.67 6.57 1.5264 12 0 0 61.39 2.80 1.5102 9 2 2 62.00 25.43 1.4968 1 3 3 62.12 22.16 1.4942 10 3 1 62.29 1.96 1.4906 6 1 3 62.49 22.81 1.4862 0 6 0 62.69 1.66 1.4820 6 4 2 62.69 4.64 1.4820 2 3 3 65.17 9.25 1.4315 3 5 2 65.62 1.18 1.4227 7 4 2 65.70 1.23 1.4212 10 2 2 65.85 1.19 1.4183 7 5 1 66.62 11.27 1.4039 11 0 2 66.85 23.75 1.3996 11 3 1 67.27 1.03 1.3919 12 2 1 67.39 1.75 1.3895 5 3 3 67.55 5.64 1.3868 11 1 2 68.03 3.04 1.3781 7 2 3 68.39 5.45 1.3718 0 4 3 68.61 2.42 1.3679 1 4 3 68.70 1.15 1.3663 5 5 2 69.79 6.74 1.3476 6 3 3 70.34 1.50 1.3384 3 4 3 71.84 11.88 1.3141 12 3 1 71.84 1.53 1.3141 4 4 3 72.52 10.45 1.3035 12 1 2 72.58 1.95 1.3025 7 3 3 72.62 5.12 1.3019 1 0 4 72.67 1.09 1.3011 13 2 1 73.10 2.99 1.2945 14 1 0 73.52 3.67 1.2882 1 1 4 74.14 12.94 1.2789 2 6 2 74.22 2.20 1.2778 10 5 0 74.31 1.35 1.2763 3 0 4 75.20 4.70 1.2636 3 6 2 75.79 4.20 1.2552 4 0 4 76.21 1.10 1.2492 10 1 3 76.99 4.90 1.2385 8 5 2 77.31 1.43 1.2342 2 5 3 78.35 2.05 1.2204 3 5 3 78.53 3.23 1.2180 5 6 2 78.54 2.10 1.2180 5 1 4 80.51 5.24 1.1930 9 5 2 81.15 1.99 1.1852 5 2 4 82.22 1.12 1.1725 5 7 1 83.18 2.12 1.1613 10 3 3 83.47 1.26 1.1581 7 6 2 83.47 1.41 1.1581 7 1 4 84.66 1.54 1.1448 16 0 0 85.67 1.63 1.1339 8 0 4 88.67 1.84 1.1031 11 5 2 89.10 1.17 1.0989 8 2 4 89.98 4.61 1.0905 9 6 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.