Orthoclase Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R150014 Colville A A, Ribbe P H American Mineralogist 53 (1968) 25-37 The crystal structure of an adularia and a refinement of the structure of orthoclase Locality: St. Gotthard, Switzerland, known as Spencer B, variety adularia _database_code_amcsd 0000166 CELL PARAMETERS: 8.5745 12.9779 7.1989 90.000 116.016 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) K 0.28350 0.00000 0.13690 1.000 2.260 Si 0.00940 0.18430 0.22470 0.610 0.830 Al 0.00940 0.18430 0.22470 0.390 0.830 Si 0.70790 0.11760 0.34430 0.890 0.650 Al 0.70790 0.11760 0.34430 0.110 0.650 O 0.00000 0.14480 0.00000 1.000 1.700 O 0.63540 0.00000 0.28400 1.000 1.300 O 0.82760 0.14480 0.22770 1.000 2.200 O 0.03510 0.31160 0.25900 1.000 1.600 O 0.18180 0.12540 0.40750 1.000 1.200 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: 5.877413917 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.36 5.48 6.6257 1 1 0 13.65 5.21 6.4889 0 2 0 13.69 2.77 6.4694 0 0 1 15.11 8.94 5.8647 -1 1 1 19.37 1.98 4.5815 0 2 1 21.04 62.54 4.2233 -2 0 1 22.54 20.27 3.9446 1 1 1 23.08 4.86 3.8528 2 0 0 23.59 74.67 3.7722 1 3 0 24.63 15.66 3.6138 -1 3 1 25.16 10.67 3.5397 -2 2 1 25.69 52.04 3.4678 -1 1 2 26.91 100.00 3.3129 2 2 0 27.13 59.04 3.2871 -2 0 2 27.49 30.49 3.2445 0 4 0 27.58 77.60 3.2347 0 0 2 29.87 56.78 2.9912 1 3 1 30.48 7.96 2.9323 -2 2 2 30.83 25.15 2.9002 0 4 1 30.89 10.46 2.8950 0 2 2 32.36 20.57 2.7666 -1 3 2 34.44 19.52 2.6038 -3 1 2 34.77 3.17 2.5802 2 2 1 34.87 37.34 2.5729 -2 4 1 35.17 9.29 2.5520 1 1 2 35.63 9.45 2.5197 3 1 0 36.20 3.75 2.4817 2 4 0 37.24 8.93 2.4142 -1 5 1 37.75 11.05 2.3829 -3 3 1 38.73 5.94 2.3248 -1 1 3 39.81 2.10 2.2646 -3 3 2 40.39 1.05 2.2329 -2 2 3 41.04 4.55 2.1992 1 5 1 41.76 22.78 2.1630 0 6 0 42.54 10.51 2.1250 2 4 1 42.70 3.03 2.1178 -4 0 1 42.82 4.94 2.1117 -4 0 2 43.73 2.10 2.0702 2 0 2 43.81 2.41 2.0664 3 1 1 44.15 4.92 2.0514 0 6 1 45.15 13.16 2.0080 -4 2 2 46.02 11.45 1.9723 2 2 2 46.45 3.02 1.9549 -3 3 3 47.18 10.68 1.9264 4 0 0 47.33 3.11 1.9206 -3 5 1 47.54 6.06 1.9127 -4 0 3 48.25 2.60 1.8861 2 6 0 48.30 1.60 1.8841 3 3 1 49.11 6.92 1.8550 1 1 3 49.35 2.28 1.8468 4 2 0 49.60 1.73 1.8379 1 5 2 49.69 1.32 1.8347 -4 2 3 49.95 3.22 1.8257 3 5 0 50.51 4.20 1.8069 -2 6 2 50.74 21.84 1.7993 -2 0 4 50.78 8.99 1.7980 0 6 2 50.84 9.14 1.7960 0 4 3 51.53 6.25 1.7734 -4 4 1 51.65 2.80 1.7698 -4 4 2 52.43 4.00 1.7452 2 4 2 53.26 1.45 1.7198 1 3 3 53.98 1.86 1.6986 -5 1 2 54.83 5.69 1.6744 -3 5 3 55.78 3.14 1.6481 -1 7 2 56.48 6.53 1.6293 3 5 1 56.59 1.36 1.6264 -5 1 3 56.75 2.09 1.6222 0 8 0 57.88 5.94 1.5933 -4 2 4 58.84 5.76 1.5693 0 2 4 59.30 1.28 1.5584 2 2 3 60.38 7.17 1.5329 -5 3 3 60.64 1.95 1.5272 0 6 3 61.26 7.14 1.5132 -4 6 1 62.08 20.74 1.4951 2 8 0 62.84 3.30 1.4787 -5 1 4 63.81 2.50 1.4586 -1 7 3 64.15 2.88 1.4518 5 3 0 64.22 3.78 1.4503 1 1 4 64.23 1.26 1.4501 0 8 2 64.79 8.35 1.4389 2 4 3 64.81 1.95 1.4386 4 6 0 65.10 1.94 1.4329 -4 6 3 65.25 2.35 1.4299 -5 5 2 65.37 6.49 1.4276 -6 0 2 65.90 1.53 1.4174 1 9 0 66.50 6.52 1.4061 4 0 2 67.17 2.61 1.3937 -4 0 5 67.59 2.26 1.3860 -5 5 3 67.74 3.13 1.3833 -2 6 4 67.77 1.57 1.3828 1 3 4 68.16 1.11 1.3758 -6 2 3 68.44 1.32 1.3709 -1 1 5 68.91 1.96 1.3626 -4 2 5 69.62 2.42 1.3504 -6 2 1 70.33 5.16 1.3385 -1 9 2 70.92 2.26 1.3289 -6 0 4 71.15 1.02 1.3251 5 5 0 71.88 5.33 1.3135 -1 3 5 72.17 1.72 1.3089 -2 4 5 72.22 1.51 1.3082 -5 1 5 72.36 1.91 1.3059 5 3 1 72.65 2.51 1.3014 2 0 4 72.89 1.47 1.2978 0 10 0 72.98 1.60 1.2964 0 8 3 73.05 1.45 1.2953 0 6 4 73.39 1.30 1.2901 4 4 2 73.54 1.33 1.2878 -4 8 1 73.63 10.02 1.2865 -4 8 2 73.78 2.13 1.2843 6 0 0 74.03 2.29 1.2805 -4 4 5 74.28 10.11 1.2769 2 8 2 74.72 2.78 1.2704 -6 4 1 74.92 2.00 1.2675 -3 9 2 75.58 2.87 1.2580 -5 3 5 75.69 3.19 1.2565 -3 5 5 78.49 1.29 1.2186 3 5 3 79.04 1.03 1.2115 5 5 1 79.38 1.61 1.2071 -2 10 2 79.59 1.18 1.2045 0 10 2 80.50 1.23 1.1931 -2 6 5 83.78 3.95 1.1546 -4 8 4 84.61 3.99 1.1454 0 8 4 86.55 3.23 1.1246 4 4 3 87.84 1.44 1.1113 -1 9 4 89.28 1.42 1.0971 6 4 1 89.31 1.67 1.0969 7 1 0 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.