Actinolite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120010 Evans B W, Yang H American Mineralogist 83 (1998) 458-475 Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient and high temperature Sample: NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock _database_code_amcsd 0001981 CELL PARAMETERS: 9.8730 18.1430 5.3298 90.000 104.921 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.08790 0.50000 0.095 0.487 Mn 0.00000 0.08790 0.50000 0.002 0.487 Mg 0.00000 0.08790 0.50000 0.903 0.487 Fe 0.00000 0.17700 0.00000 0.092 0.457 Mn 0.00000 0.17700 0.00000 0.003 0.457 Mg 0.00000 0.17700 0.00000 0.873 0.457 Al 0.00000 0.17700 0.00000 0.031 0.457 Ti 0.00000 0.17700 0.00000 0.001 0.457 Fe 0.00000 0.00000 0.00000 0.095 0.432 Mg 0.00000 0.00000 0.00000 0.905 0.432 Fe 0.00000 0.27690 0.50000 0.053 0.834 Mn 0.00000 0.27690 0.50000 0.003 0.834 Mg 0.00000 0.27690 0.50000 0.011 0.834 Ca 0.00000 0.27690 0.50000 0.901 0.834 Na 0.00000 0.27690 0.50000 0.032 0.834 Si 0.28050 0.08410 0.29580 0.985 0.345 Al 0.28050 0.08410 0.29580 0.015 0.345 Si 0.28900 0.17100 0.80390 1.000 0.400 K 0.04800 0.50000 0.04900 0.007 1.500 Na 0.04800 0.50000 0.04900 0.030 1.500 H 0.19000 0.00000 0.76500 0.970 1.000 O 0.11160 0.08650 0.21630 1.000 0.510 O 0.11910 0.17150 0.72450 1.000 0.562 O 0.11000 0.00000 0.71570 1.000 0.612 O 0.36630 0.24770 0.79120 1.000 0.727 O 0.34680 0.13420 0.09870 1.000 0.609 O 0.34400 0.11840 0.58800 1.000 0.703 O 0.33670 0.00000 0.29070 1.000 0.667 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 6.506712656 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.75 37.68 9.0715 0 2 0 10.48 80.24 8.4439 1 1 0 17.22 4.28 5.1501 0 0 1 17.36 10.39 5.1078 1 3 0 18.02 29.62 4.9239 -1 1 1 18.60 2.63 4.7701 2 0 0 19.57 22.94 4.5357 0 4 0 19.82 1.31 4.4787 0 2 1 21.04 8.19 4.2220 2 2 0 21.90 2.50 4.0592 -2 0 1 22.17 3.00 4.0093 1 1 1 22.77 22.43 3.9058 -1 3 1 26.21 50.82 3.3998 1 3 1 27.13 35.27 3.2870 2 4 0 28.50 64.39 3.1323 3 1 0 28.59 1.91 3.1217 2 0 1 29.38 1.84 3.0403 -3 1 1 30.20 4.97 2.9597 -1 5 1 30.28 36.26 2.9518 2 2 1 31.79 9.86 2.8146 3 3 0 32.59 22.35 2.7474 -3 3 1 32.92 100.00 2.7204 1 5 1 34.39 35.61 2.6076 0 6 1 34.84 6.98 2.5750 0 0 2 35.08 58.65 2.5579 -2 0 2 36.26 1.64 2.4772 0 2 2 36.50 2.26 2.4619 -2 2 2 37.07 2.35 2.4250 -2 6 1 37.19 1.03 2.4178 3 1 1 37.24 1.01 2.4142 -4 0 1 37.61 6.50 2.3916 3 5 0 38.30 34.69 2.3499 -3 5 1 38.59 14.34 2.3330 -4 2 1 38.95 15.13 2.3121 -1 7 1 39.25 19.31 2.2951 -3 1 2 39.85 1.10 2.2624 3 3 1 40.49 6.34 2.2281 -2 4 2 41.17 5.00 2.1925 1 7 1 41.39 1.25 2.1816 1 3 2 41.58 29.83 2.1720 2 6 1 41.80 3.31 2.1609 -3 3 2 42.07 2.75 2.1478 -1 5 2 44.06 16.90 2.0555 2 0 2 44.65 9.54 2.0296 -4 0 2 44.77 14.08 2.0245 3 5 1 45.13 5.87 2.0091 3 7 0 45.73 1.76 1.9842 -3 7 1 45.81 1.30 1.9806 -4 2 2 46.02 4.90 1.9723 1 9 0 46.55 3.44 1.9508 -3 5 2 47.00 1.67 1.9332 4 2 1 47.94 6.47 1.8976 5 1 0 48.24 2.42 1.8867 -4 6 1 48.54 10.50 1.8755 -1 9 1 48.63 2.50 1.8722 2 4 2 49.03 3.64 1.8579 -1 7 2 49.18 3.56 1.8526 -4 4 2 50.13 4.03 1.8196 5 3 0 50.29 2.16 1.8143 0 10 0 52.03 5.48 1.7576 -5 1 2 53.06 1.34 1.7260 -3 7 2 53.08 1.67 1.7253 -5 5 1 53.55 1.78 1.7112 0 10 1 53.87 1.12 1.7019 0 8 2 53.95 7.20 1.6995 -1 3 3 54.04 6.72 1.6970 -2 8 2 54.37 1.11 1.6874 -3 9 1 54.39 5.65 1.6868 0 2 3 55.50 24.57 1.6557 4 6 1 55.95 6.77 1.6435 4 8 0 56.63 12.69 1.6253 1 11 0 57.95 22.50 1.5915 -1 5 3 58.01 4.17 1.5900 6 0 0 58.87 1.10 1.5686 2 10 1 59.07 1.01 1.5640 -5 7 1 59.20 5.12 1.5609 4 0 2 59.99 10.22 1.5420 -6 0 2 60.64 4.03 1.5271 1 9 2 60.71 20.66 1.5254 -2 6 3 61.29 2.56 1.5124 -4 8 2 61.31 10.41 1.5119 0 12 0 61.57 5.11 1.5063 5 5 1 62.18 1.34 1.4929 0 6 3 62.79 1.82 1.4799 -2 10 2 62.92 1.65 1.4771 2 2 3 62.98 3.64 1.4759 4 4 2 63.16 1.15 1.4721 3 7 2 63.54 4.42 1.4641 3 11 0 63.64 3.24 1.4622 -1 7 3 63.75 3.08 1.4599 -6 4 2 64.02 1.19 1.4544 -3 11 1 64.54 1.16 1.4440 4 10 0 64.55 29.11 1.4438 -6 6 1 64.88 1.54 1.4372 -5 3 3 66.68 1.20 1.4026 6 2 1 68.48 4.78 1.3701 -5 5 3 68.53 11.46 1.3693 5 1 2 69.12 2.66 1.3590 7 1 0 69.77 7.36 1.3480 1 11 2 69.86 1.17 1.3464 -1 13 1 70.06 4.15 1.3430 -3 11 2 70.14 5.32 1.3417 2 6 3 70.30 2.63 1.3391 5 3 2 70.95 2.15 1.3283 -5 9 2 71.17 1.04 1.3248 -7 3 2 71.57 6.10 1.3184 -1 1 4 71.81 7.85 1.3146 -7 5 1 72.50 5.60 1.3038 0 12 2 72.62 1.41 1.3019 -3 9 3 72.62 1.09 1.3019 6 8 0 72.64 13.87 1.3016 -2 12 2 73.31 1.69 1.2914 -1 3 4 73.56 3.61 1.2875 0 0 4 73.59 1.26 1.2870 -3 3 4 73.72 2.26 1.2851 6 6 1 74.14 5.12 1.2790 -4 0 4 76.97 1.02 1.2388 -7 7 1 77.07 1.23 1.2374 4 2 3 77.28 1.80 1.2345 -2 14 1 79.52 9.00 1.2054 -5 11 2 80.55 2.17 1.1925 8 0 0 82.47 4.47 1.1696 2 0 4 82.73 1.36 1.1665 -8 4 2 83.27 1.18 1.1604 1 15 1 83.77 1.45 1.1547 2 10 3 83.79 1.19 1.1545 4 6 3 86.13 2.70 1.1291 7 9 0 86.37 1.06 1.1264 5 13 0 86.90 1.85 1.1210 -6 4 4 87.09 1.11 1.1190 5 3 3 87.63 1.06 1.1135 -7 7 3 88.24 1.02 1.1074 0 16 1 89.29 1.63 1.0970 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.