Kaersutite Diffraction data computed using the structute from the paper listed below, along with the cell parameters refined from single crystal data of R070128 Tiepolo M, Zanetti A, Oberti R European Journal of Mineralogy 11 (1999) 345-354 Detection, crystal-chemical mechanisms and petrological implications of Ti partitioning in pargasite and kaersutite Sample: K1 CELL PARAMETERS: 9.8140 18.0840 5.3071 90.000 105.200 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) O 0.10700 0.08680 0.21850 1.000 0.840 O 0.11830 0.17220 0.72980 1.000 0.810 O 0.10760 0.00000 0.71470 0.678 1.040 F 0.10760 0.00000 0.71470 0.007 1.040 Cl 0.10760 0.00000 0.71470 0.004 1.040 Oh 0.10760 0.00000 0.71470 0.311 1.040 O 0.36620 0.25040 0.78710 1.000 1.050 O 0.34970 0.13990 0.11100 1.000 1.080 O 0.34480 0.11600 0.61040 1.000 1.200 O 0.34070 0.00000 0.27760 1.000 1.310 Si 0.28110 0.08540 0.30330 0.771 0.550 Al 0.28110 0.08540 0.30330 0.229 0.550 Si 0.29030 0.17290 0.81120 0.771 0.560 Al 0.29030 0.17290 0.81120 0.229 0.560 Mg 0.00000 0.08640 0.50000 0.840 0.990 Ti 0.00000 0.08640 0.50000 0.160 0.990 Mg 0.00000 0.17680 0.00000 0.720 0.610 Ti 0.00000 0.17680 0.00000 0.035 0.610 Al 0.00000 0.17680 0.00000 0.245 0.610 Mg 0.00000 0.00000 0.00000 0.770 0.710 Ti 0.00000 0.00000 0.00000 0.040 0.710 Al 0.00000 0.00000 0.00000 0.190 0.710 Mg 0.00000 0.27910 0.50000 0.060 0.770 Ca 0.00000 0.27910 0.50000 0.419 0.770 Na 0.00000 0.27910 0.50000 0.021 0.770 Mg 0.00000 0.25610 0.50000 0.060 1.580 Ca 0.00000 0.25610 0.50000 0.419 1.580 Na 0.00000 0.25610 0.50000 0.021 1.580 Na 0.00000 0.50000 0.00000 0.268 2.290 K 0.00000 0.50000 0.00000 0.066 2.290 Na 0.04470 0.50000 0.09130 0.134 2.250 K 0.04470 0.50000 0.09130 0.033 2.250 Na 0.00000 0.46900 0.00000 0.134 2.570 K 0.00000 0.46900 0.00000 0.033 2.570 H 0.20360 0.00000 0.78530 0.678 0.390 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 8 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 4.157489108 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.78 43.56 9.0420 0 2 0 10.54 50.28 8.3898 1 1 0 18.08 20.60 4.9075 -1 1 1 19.64 24.90 4.5210 0 4 0 21.18 1.95 4.1949 2 2 0 22.34 17.32 3.9796 1 1 1 22.84 30.79 3.8930 -1 3 1 24.10 2.11 3.6928 -2 2 1 26.38 78.01 3.3786 1 3 1 27.27 65.23 3.2700 2 4 0 28.71 90.43 3.1099 3 1 0 28.84 2.27 3.0958 2 0 1 29.50 6.11 3.0276 -3 1 1 30.30 16.97 2.9500 -1 5 1 30.52 58.64 2.9288 2 2 1 32.00 23.88 2.7966 3 3 0 32.73 34.14 2.7363 -3 3 1 33.10 100.00 2.7064 1 5 1 34.53 84.23 2.5976 0 6 1 35.04 10.87 2.5607 0 0 2 35.20 85.67 2.5494 -2 0 2 36.04 2.60 2.4924 1 7 0 36.62 1.60 2.4538 -2 2 2 37.20 2.86 2.4170 -2 6 1 37.83 8.27 2.3783 3 5 0 38.00 1.11 2.3677 4 0 0 38.45 43.91 2.3410 -3 5 1 38.78 26.96 2.3218 -4 2 1 39.09 16.09 2.3045 -1 7 1 39.38 19.32 2.2879 -3 1 2 40.17 3.05 2.2449 3 3 1 40.48 3.20 2.2281 0 4 2 40.63 12.27 2.2207 -2 4 2 41.37 6.08 2.1826 1 7 1 41.83 49.32 2.1595 2 6 1 41.94 10.32 2.1542 -3 3 2 42.24 3.82 2.1394 -1 5 2 43.13 1.04 2.0974 4 4 0 44.41 2.55 2.0400 2 8 0 44.41 27.34 2.0398 2 0 2 44.81 18.05 2.0228 -4 0 2 45.09 13.43 2.0107 3 5 1 45.36 4.01 1.9993 3 7 0 45.90 4.00 1.9769 -3 7 1 46.18 5.35 1.9656 1 9 0 46.71 4.13 1.9447 -3 5 2 47.41 2.09 1.9175 4 2 1 48.31 9.99 1.8838 5 1 0 48.46 4.58 1.8786 -4 6 1 48.71 12.11 1.8694 -1 9 1 48.99 2.36 1.8593 2 4 2 49.23 4.34 1.8510 -1 7 2 49.36 6.06 1.8464 -4 4 2 50.47 2.30 1.8084 0 10 0 50.51 4.80 1.8070 5 3 0 50.64 2.05 1.8026 1 9 1 51.78 2.07 1.7656 3 1 2 52.13 1.69 1.7544 -1 1 3 52.24 5.21 1.7510 -5 1 2 53.01 1.04 1.7275 1 7 2 53.76 1.19 1.7052 0 10 1 53.87 1.01 1.7019 3 3 2 54.12 1.88 1.6947 0 8 2 54.22 10.15 1.6918 -1 3 3 54.23 6.38 1.6914 -2 8 2 54.58 3.74 1.6814 -3 9 1 54.72 9.69 1.6775 0 2 3 55.92 37.07 1.6444 4 6 1 56.27 6.23 1.6350 4 8 0 56.84 11.75 1.6198 1 11 0 58.23 25.86 1.5845 -1 5 3 58.47 5.97 1.5784 6 0 0 59.17 2.37 1.5615 2 10 1 59.37 1.28 1.5568 -5 7 1 59.74 9.19 1.5479 4 0 2 60.27 16.84 1.5355 -6 0 2 60.70 1.28 1.5257 4 2 2 60.96 37.12 1.5198 -2 6 3 60.96 3.98 1.5198 1 9 2 61.17 1.48 1.5150 -3 9 2 61.52 6.19 1.5074 -4 8 2 61.54 19.68 1.5070 0 12 0 62.08 5.61 1.4951 5 5 1 63.02 2.32 1.4750 -2 10 2 63.42 2.30 1.4667 2 2 3 63.53 4.04 1.4644 4 4 2 63.84 6.36 1.4581 3 11 0 63.94 4.70 1.4561 -1 7 3 64.04 3.35 1.4539 -6 4 2 64.27 1.18 1.4494 -3 11 1 64.50 2.38 1.4448 -4 10 1 64.88 1.53 1.4372 4 10 0 64.92 46.05 1.4364 -6 6 1 65.11 1.91 1.4327 -5 3 3 66.20 1.51 1.4116 -4 6 3 67.30 2.02 1.3913 6 2 1 68.73 6.43 1.3657 -5 5 3 69.19 15.30 1.3578 5 1 2 69.70 2.88 1.3492 7 1 0 70.12 1.78 1.3420 -1 13 1 70.12 9.92 1.3420 1 11 2 70.32 4.48 1.3387 -3 11 2 70.62 1.08 1.3338 -6 2 3 70.66 9.34 1.3331 2 6 3 70.96 5.06 1.3282 5 3 2 71.15 2.93 1.3251 -1 9 3 71.21 1.39 1.3242 -6 8 1 71.24 2.47 1.3236 -5 9 2 71.46 1.26 1.3201 7 3 0 71.68 2.41 1.3166 1 13 1 71.97 8.19 1.3120 -1 1 4 72.17 1.96 1.3089 -3 1 4 72.28 8.80 1.3072 -7 5 1 72.82 4.14 1.2988 0 12 2 72.89 1.43 1.2977 -3 9 3 72.92 19.71 1.2973 -2 12 2 73.12 1.70 1.2942 6 8 0 73.72 3.53 1.2852 -1 3 4 73.91 2.55 1.2823 -3 3 4 74.04 3.63 1.2804 0 0 4 74.36 2.51 1.2757 6 6 1 74.43 6.24 1.2747 -4 0 4 74.45 1.03 1.2743 5 5 2 74.66 1.92 1.2713 4 12 0 76.78 1.85 1.2414 0 10 3 77.46 1.42 1.2322 -7 7 1 77.48 1.29 1.2319 0 4 4 77.59 1.53 1.2305 -2 14 1 77.80 1.87 1.2277 4 2 3 79.85 9.86 1.2012 -5 11 2 80.58 1.05 1.1921 2 14 1 81.27 2.77 1.1838 8 0 0 83.16 6.18 1.1616 2 0 4 83.22 2.27 1.1609 -8 4 2 83.64 1.27 1.1562 1 15 1 84.34 1.61 1.1483 2 10 3 86.40 1.00 1.1262 3 9 3 86.78 2.67 1.1223 7 9 0 87.24 3.87 1.1175 -6 4 4 87.97 1.76 1.1101 5 3 3 88.02 1.16 1.1096 -7 7 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.