Orthoclase Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040055 Tseng H-Y, Heaney P J, Onstott T C Physics and Chemistry of Minerals 22 (1995) 399-405 Characterization of lattice strain induced by neutron irradiation Sample: Unirradiated CELL PARAMETERS: 8.6000 12.9978 7.2004 90.000 116.049 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) K 0.28320 0.00000 0.13580 1.000 0.474 Al 0.00900 0.18420 0.22260 0.500 0.158 Si 0.00900 0.18420 0.22260 0.500 0.158 Si 0.70780 0.11848 0.33950 1.000 0.158 O 0.00000 0.14870 0.00000 1.000 0.947 O 0.63280 0.00000 0.27820 1.000 0.947 O 0.83070 0.14660 0.22180 1.000 0.947 O 0.03640 0.31260 0.25460 1.000 0.947 O 0.18210 0.12540 0.40630 1.000 0.947 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 11 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 6.018429597 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.33 4.63 6.6416 1 1 0 13.63 6.10 6.4989 0 2 0 15.09 9.69 5.8727 -1 1 1 19.36 1.65 4.5848 0 2 1 20.98 60.88 4.2350 -2 0 1 22.52 19.34 3.9486 1 1 1 23.02 4.86 3.8632 2 0 0 23.54 75.78 3.7790 1 3 0 24.60 16.57 3.6191 -1 3 1 25.10 12.44 3.5481 -2 2 1 25.68 49.72 3.4687 -1 1 2 26.85 100.00 3.3208 2 2 0 27.09 56.96 3.2915 -2 0 2 27.45 29.79 3.2494 0 4 0 27.58 80.77 3.2345 0 0 2 29.83 63.31 2.9949 1 3 1 30.44 7.45 2.9364 -2 2 2 30.79 25.20 2.9037 0 4 1 30.88 10.05 2.8957 0 2 2 32.34 22.21 2.7686 -1 3 2 34.36 21.60 2.6097 -3 1 2 34.71 4.22 2.5844 2 2 1 34.80 37.93 2.5780 -2 4 1 35.15 8.55 2.5532 1 1 2 35.53 9.69 2.5264 3 1 0 36.12 3.30 2.4867 2 4 0 37.19 9.60 2.4179 -1 5 1 37.65 10.42 2.3890 -3 3 1 38.73 7.58 2.3248 -1 1 3 39.72 2.44 2.2693 -3 3 2 40.37 1.29 2.2343 -2 2 3 40.98 4.46 2.2022 1 5 1 41.69 26.89 2.1663 0 6 0 42.47 10.47 2.1284 2 4 1 42.56 3.61 2.1242 -4 0 1 42.70 6.08 2.1175 -4 0 2 43.63 1.02 2.0745 -1 3 3 43.68 2.48 2.0722 2 0 2 43.72 3.26 2.0704 3 1 1 44.08 6.27 2.0542 0 6 1 45.03 12.86 2.0133 -4 2 2 45.97 11.24 1.9743 2 2 2 46.38 4.64 1.9576 -3 3 3 47.04 11.19 1.9316 4 0 0 47.22 3.29 1.9248 -3 5 1 47.43 5.54 1.9166 -4 0 3 48.16 2.45 1.8895 2 6 0 48.21 2.03 1.8876 3 3 1 49.10 8.56 1.8555 1 1 3 49.21 2.09 1.8515 4 2 0 49.55 2.11 1.8397 1 5 2 49.59 1.60 1.8384 -4 2 3 49.84 3.76 1.8296 3 5 0 50.43 4.76 1.8096 -2 6 2 50.72 9.82 1.7999 0 6 2 50.73 24.04 1.7996 -2 0 4 50.82 10.18 1.7967 0 4 3 51.39 7.70 1.7780 -4 4 1 51.51 2.62 1.7741 -4 4 2 52.37 4.57 1.7472 2 4 2 52.98 1.07 1.7285 -1 1 4 53.24 1.80 1.7205 1 3 3 53.81 2.53 1.7036 -5 1 2 54.74 5.86 1.6768 -3 5 3 55.70 3.78 1.6502 -1 7 2 56.37 8.20 1.6322 3 5 1 56.38 1.47 1.6319 -3 3 4 56.44 1.17 1.6304 -5 1 3 56.65 2.27 1.6247 0 8 0 57.79 6.33 1.5954 -4 2 4 58.84 6.63 1.5694 0 2 4 59.25 2.02 1.5595 2 2 3 60.23 8.81 1.5366 -5 3 3 60.59 2.81 1.5283 0 6 3 61.10 9.06 1.5167 -4 6 1 61.96 24.42 1.4977 2 8 0 62.71 3.14 1.4815 -5 1 4 63.75 3.11 1.4600 -1 7 3 63.90 1.04 1.4569 -2 8 2 63.97 3.58 1.4555 5 3 0 64.14 1.11 1.4519 0 8 2 64.21 3.94 1.4505 1 1 4 64.32 1.19 1.4482 -1 5 4 64.65 2.54 1.4417 4 6 0 64.73 9.74 1.4401 2 4 3 64.97 2.27 1.4355 -4 6 3 65.07 2.53 1.4335 -5 5 2 65.15 7.48 1.4318 -6 0 2 65.22 1.03 1.4305 -2 0 5 65.78 1.99 1.4196 1 9 0 66.38 7.58 1.4083 4 0 2 67.10 2.33 1.3948 -4 0 5 67.42 2.86 1.3891 -5 5 3 67.66 1.02 1.3847 -6 0 1 67.68 4.47 1.3843 -2 6 4 67.74 1.59 1.3832 1 3 4 67.95 1.26 1.3795 -6 2 3 68.45 1.22 1.3707 -1 1 5 68.84 3.03 1.3638 -4 2 5 69.39 3.36 1.3543 -6 2 1 70.22 6.17 1.3403 -1 9 2 70.73 2.77 1.3320 -6 0 4 70.95 1.11 1.3283 5 5 0 71.87 7.09 1.3136 -1 3 5 72.11 2.16 1.3099 -5 1 5 72.15 1.87 1.3092 -2 4 5 72.18 2.53 1.3088 5 3 1 72.61 2.68 1.3020 2 0 4 72.76 1.62 1.2998 0 10 0 72.90 1.69 1.2976 0 8 3 73.01 1.38 1.2959 0 6 4 73.25 1.29 1.2922 4 4 2 73.36 1.46 1.2905 -4 8 1 73.37 1.06 1.2904 2 6 3 73.46 11.39 1.2890 -4 8 2 73.55 2.41 1.2877 6 0 0 73.95 2.57 1.2817 -4 4 5 74.16 12.08 1.2786 2 8 2 74.48 4.04 1.2739 -6 4 1 74.77 3.00 1.2696 -3 9 2 74.83 1.56 1.2689 0 2 5 75.22 1.35 1.2632 6 2 0 75.36 1.35 1.2612 -5 7 2 75.46 3.72 1.2597 -5 3 5 75.63 4.09 1.2573 -3 5 5 76.28 1.11 1.2482 3 7 2 78.39 1.72 1.2199 3 5 3 78.48 1.47 1.2187 -6 0 5 78.84 1.29 1.2140 5 5 1 79.24 1.80 1.2089 -2 10 2 79.47 1.32 1.2060 0 10 2 80.18 1.17 1.1972 6 4 0 80.39 1.40 1.1945 -6 6 2 80.45 1.83 1.1937 -2 6 5 81.72 1.20 1.1784 -7 -3 3 83.63 5.44 1.1562 -4 8 4 84.53 5.07 1.1462 0 8 4 85.04 1.20 1.1407 -2 10 3 86.41 4.05 1.1260 4 4 3 87.39 1.08 1.1159 2 6 4 87.75 2.05 1.1123 -1 9 4 89.01 2.61 1.0998 7 1 0 89.03 1.96 1.0996 6 4 1 89.78 1.14 1.0923 5 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.