Enstatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120168 Carlson W D, Swinnea J S, Miser D E American Mineralogist 73 (1988) 1255-1263 Stability of orthoenstatite at high temperature and low pressure _database_code_amcsd 0001201 CELL PARAMETERS: 18.2850 8.8612 5.2070 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: 5.863292668 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.92 1.64 6.3629 2 1 0 20.04 11.51 4.4306 0 2 0 20.37 2.62 4.3598 1 1 1 22.06 2.58 4.0297 2 1 1 26.87 33.10 3.3183 1 2 1 27.85 19.20 3.2030 4 1 1 28.05 50.27 3.1815 4 2 0 28.19 100.00 3.1656 2 2 1 30.28 49.99 2.9521 3 2 1 31.03 89.37 2.8818 6 1 0 31.55 24.35 2.8353 5 1 1 31.84 2.37 2.8107 2 3 0 32.99 31.46 2.7148 4 2 1 35.28 45.85 2.5442 1 3 1 35.61 4.72 2.5214 6 1 1 35.86 64.21 2.5040 2 0 2 36.21 1.18 2.4809 4 3 0 36.22 28.41 2.4799 5 2 1 36.32 8.70 2.4734 2 3 1 37.57 7.95 2.3942 3 0 2 38.01 4.93 2.3674 3 3 1 38.97 1.26 2.3113 3 1 2 39.42 1.62 2.2856 8 0 0 39.93 6.15 2.2578 7 1 1 40.27 4.69 2.2397 4 3 1 41.18 2.67 2.1920 4 1 2 42.63 2.21 2.1210 6 3 0 42.63 29.58 2.1209 5 0 2 42.94 3.50 2.1064 3 2 2 43.03 20.59 2.1022 5 3 1 43.83 6.55 2.0656 7 2 1 43.89 12.45 2.0627 5 1 2 44.48 3.83 2.0368 8 1 1 44.61 1.27 2.0313 8 2 0 44.73 9.98 2.0259 1 4 1 45.50 5.59 1.9935 4 4 0 45.59 12.97 1.9896 2 4 1 46.22 24.79 1.9643 6 3 1 47.00 1.62 1.9332 3 4 1 48.08 5.57 1.8924 8 2 1 48.92 1.82 1.8618 4 4 1 48.97 1.75 1.8599 3 3 2 49.43 5.67 1.8440 7 0 2 50.50 5.84 1.8073 6 2 2 50.84 1.24 1.7960 4 3 2 51.00 7.80 1.7908 10 1 0 51.31 6.88 1.7805 5 4 1 52.60 10.26 1.7399 2 5 0 53.67 8.19 1.7077 8 3 1 53.85 5.24 1.7024 7 2 2 54.41 7.51 1.6862 8 1 2 54.63 1.69 1.6800 1 4 2 54.82 2.28 1.6745 2 1 3 55.37 5.70 1.6592 2 4 2 55.70 2.26 1.6502 2 5 1 56.06 3.85 1.6404 3 1 3 56.60 2.51 1.6260 3 4 2 56.98 18.32 1.6161 0 2 3 57.23 11.76 1.6098 1 2 3 57.54 7.06 1.6017 9 0 2 57.86 11.74 1.5936 9 3 1 57.98 2.53 1.5907 8 4 0 58.56 2.14 1.5762 9 1 2 58.61 1.53 1.5750 4 5 1 60.42 6.50 1.5320 6 5 0 60.74 2.10 1.5249 5 5 1 60.79 6.61 1.5237 12 0 0 60.79 1.04 1.5237 4 2 3 61.57 2.80 1.5063 9 2 2 62.25 25.39 1.4914 1 3 3 62.33 22.18 1.4897 10 3 1 62.46 1.96 1.4868 6 1 3 62.93 22.52 1.4769 0 6 0 62.94 4.63 1.4768 2 3 3 62.97 1.65 1.4761 6 4 2 65.53 9.19 1.4245 3 5 2 65.88 1.24 1.4177 10 2 2 65.91 1.18 1.4173 7 4 2 66.20 1.18 1.4116 7 5 1 66.77 11.32 1.4011 11 0 2 67.06 23.77 1.3956 11 3 1 67.44 1.03 1.3887 12 2 1 67.65 1.75 1.3850 5 3 3 67.71 5.66 1.3839 11 1 2 68.24 3.05 1.3743 7 2 3 68.70 5.43 1.3663 0 4 3 68.92 2.41 1.3625 1 4 3 69.06 1.14 1.3600 5 5 2 70.05 6.75 1.3432 6 3 3 70.66 1.50 1.3332 3 4 3 72.06 11.90 1.3106 12 3 1 72.16 1.52 1.3090 4 4 3 72.69 10.50 1.3008 12 1 2 72.84 5.13 1.2985 1 0 4 72.84 1.95 1.2985 7 3 3 72.86 1.09 1.2983 13 2 1 73.26 3.01 1.2921 14 1 0 73.75 3.68 1.2847 1 1 4 74.54 1.35 1.2730 3 0 4 74.57 2.20 1.2726 10 5 0 74.61 12.83 1.2721 2 6 2 75.66 4.68 1.2570 3 6 2 76.01 4.21 1.2520 4 0 4 76.42 1.11 1.2463 10 1 3 77.37 4.89 1.2334 8 5 2 77.72 1.43 1.2288 2 5 3 78.76 2.04 1.2151 3 5 3 78.78 2.11 1.2148 5 1 4 79.00 3.20 1.2120 5 6 2 80.90 5.22 1.1883 9 5 2 81.42 2.00 1.1819 5 2 4 82.79 1.12 1.1659 5 7 1 83.47 2.12 1.1581 10 3 3 83.73 1.41 1.1551 7 1 4 83.95 1.24 1.1527 7 6 2 84.84 1.55 1.1428 16 0 0 85.93 1.64 1.1312 8 0 4 89.08 1.84 1.0991 11 5 2 89.40 1.17 1.0960 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.