Enstatite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100093 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: 18.2870 8.8430 5.2150 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: 5.859881974 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.93 1.64 6.3565 2 1 0 20.08 11.46 4.4215 0 2 0 20.36 2.63 4.3624 1 1 1 22.05 2.59 4.0318 2 1 1 26.88 33.09 3.3166 1 2 1 27.84 19.25 3.2042 4 1 1 28.08 50.19 3.1783 4 2 0 28.20 100.00 3.1641 2 2 1 30.29 50.00 2.9510 3 2 1 31.04 89.46 2.8815 6 1 0 31.54 24.40 2.8362 5 1 1 31.90 2.36 2.8055 2 3 0 33.00 31.48 2.7140 4 2 1 35.32 45.75 2.5412 1 3 1 35.60 4.73 2.5221 6 1 1 35.81 64.60 2.5075 2 0 2 36.23 28.43 2.4793 5 2 1 36.26 1.17 2.4774 4 3 0 36.36 8.69 2.4707 2 3 1 37.52 7.99 2.3974 3 0 2 38.05 4.91 2.3651 3 3 1 38.92 1.27 2.3138 3 1 2 39.42 1.63 2.2859 8 0 0 39.92 6.17 2.2583 7 1 1 40.30 4.68 2.2377 4 3 1 41.14 2.69 2.1942 4 1 2 42.58 29.74 2.1232 5 0 2 42.67 2.20 2.1188 6 3 0 42.91 3.51 2.1075 3 2 2 43.06 20.56 2.1006 5 3 1 43.84 6.56 2.0653 7 2 1 43.85 12.51 2.0645 5 1 2 44.47 3.83 2.0373 8 1 1 44.62 1.27 2.0306 8 2 0 44.80 9.94 2.0229 1 4 1 45.58 5.56 1.9903 4 4 0 45.66 12.93 1.9868 2 4 1 46.25 24.77 1.9630 6 3 1 47.07 1.62 1.9306 3 4 1 48.09 5.58 1.8922 8 2 1 48.98 1.75 1.8599 3 3 2 48.99 1.82 1.8595 4 4 1 49.38 5.70 1.8455 7 0 2 50.47 5.86 1.8081 6 2 2 50.84 1.24 1.7960 4 3 2 51.00 7.81 1.7908 10 1 0 51.37 6.86 1.7785 5 4 1 52.72 10.19 1.7364 2 5 0 53.70 8.19 1.7069 8 3 1 53.83 5.25 1.7031 7 2 2 54.37 7.53 1.6873 8 1 2 54.66 1.69 1.6791 1 4 2 54.74 2.30 1.6768 2 1 3 55.41 5.70 1.6583 2 4 2 55.80 2.24 1.6475 2 5 1 55.98 3.87 1.6426 3 1 3 56.63 2.51 1.6252 3 4 2 56.92 18.42 1.6178 0 2 3 57.16 11.82 1.6115 1 2 3 57.50 7.08 1.6027 9 0 2 57.89 11.74 1.5930 9 3 1 58.04 2.52 1.5891 8 4 0 58.53 2.15 1.5770 9 1 2 58.71 1.53 1.5727 4 5 1 60.53 6.48 1.5297 6 5 0 60.73 1.04 1.5251 4 2 3 60.78 6.62 1.5239 12 0 0 60.83 2.09 1.5228 5 5 1 61.54 2.81 1.5068 9 2 2 62.21 25.49 1.4924 1 3 3 62.35 22.18 1.4892 10 3 1 62.39 1.97 1.4885 6 1 3 62.89 4.65 1.4777 2 3 3 63.00 1.65 1.4755 6 4 2 63.08 22.37 1.4738 0 6 0 65.60 9.17 1.4232 3 5 2 65.86 1.24 1.4181 10 2 2 65.93 1.18 1.4168 7 4 2 66.29 1.18 1.4100 7 5 1 66.73 11.36 1.4018 11 0 2 67.08 23.78 1.3952 11 3 1 67.44 1.03 1.3887 12 2 1 67.61 1.75 1.3857 5 3 3 67.67 5.68 1.3845 11 1 2 68.18 3.07 1.3754 7 2 3 68.69 5.44 1.3665 0 4 3 68.91 2.42 1.3627 1 4 3 69.13 1.14 1.3589 5 5 2 70.01 6.78 1.3439 6 3 3 70.64 1.50 1.3334 3 4 3 72.08 11.91 1.3103 12 3 1 72.15 1.53 1.3093 4 4 3 72.65 10.53 1.3014 12 1 2 72.71 5.17 1.3004 1 0 4 72.80 1.96 1.2991 7 3 3 72.85 1.09 1.2983 13 2 1 73.25 3.02 1.2922 14 1 0 73.62 3.71 1.2866 1 1 4 74.41 1.36 1.2749 3 0 4 74.66 2.19 1.2713 10 5 0 74.71 12.79 1.2706 2 6 2 75.76 4.66 1.2555 3 6 2 75.89 4.24 1.2538 4 0 4 76.35 1.11 1.2473 10 1 3 77.43 4.89 1.2326 8 5 2 77.74 1.43 1.2285 2 5 3 78.66 2.13 1.2164 5 1 4 78.78 2.05 1.2149 3 5 3 79.10 3.20 1.2107 5 6 2 80.95 5.22 1.1876 9 5 2 81.31 2.01 1.1833 5 2 4 82.96 1.11 1.1639 5 7 1 83.43 2.13 1.1585 10 3 3 83.61 1.42 1.1565 7 1 4 84.04 1.24 1.1517 7 6 2 84.83 1.55 1.1429 16 0 0 85.80 1.65 1.1325 8 0 4 89.14 1.84 1.0986 11 5 2 89.29 1.18 1.0971 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.