Iimoriite-(Y) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070457 Hughes J M, Foord E E, Jai-Nhuknan J, Bell J M The Canadian Mineralogist 34 (1996) 817-820 The atomic arrangement of Iimoriite-(Y), Y2(SiO4)(CO3) CELL PARAMETERS: 6.5360 6.6030 6.4370 116.330 92.620 95.400 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Y 0.16782 0.18941 0.25715 1.000 0.489 Y 0.41401 0.70249 0.25067 1.000 0.347 Si 0.65780 0.24110 0.26320 1.000 0.660 C -0.08920 0.73500 0.19360 1.000 0.780 O 0.09610 0.83660 0.26490 1.000 0.890 O 0.53310 0.34010 0.11370 1.000 0.790 O 0.48340 0.08830 0.33120 1.000 0.720 O 0.16820 0.90860 0.87420 1.000 0.830 O 0.21650 0.25020 0.65630 1.000 0.980 O 0.14660 0.37780 0.02420 1.000 0.870 O 0.25100 0.56330 0.48040 1.000 0.920 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 5 +/- 5 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 18.15539050 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.67 21.21 6.4757 1 0 0 19.07 18.63 4.6549 -1 1 0 19.63 61.34 4.5217 -1 0 1 20.84 22.12 4.2627 1 -1 1 21.39 35.71 4.1546 -1 -1 1 21.67 26.13 4.1011 1 0 1 21.70 4.36 4.0963 1 1 0 27.19 39.56 3.2792 0 -2 1 27.77 3.02 3.2121 0 -1 2 27.92 5.23 3.1954 -1 1 1 29.76 75.87 3.0019 -2 1 0 30.33 3.83 2.9465 -2 0 1 30.46 79.03 2.9347 0 2 0 30.57 6.63 2.9242 -1 -1 2 31.16 100.00 2.8707 0 0 2 31.23 8.80 2.8638 1 1 1 31.58 2.78 2.8331 1 -1 2 31.64 2.80 2.8283 -1 -2 1 31.65 47.05 2.8270 2 -1 1 31.83 16.51 2.8115 -1 2 0 32.35 59.58 2.7676 0 -2 2 32.39 8.87 2.7637 -2 -1 1 32.86 1.62 2.7252 -1 0 2 33.27 69.60 2.6933 2 1 0 34.92 3.80 2.5692 1 -2 2 35.15 1.08 2.5532 1 2 0 35.42 4.86 2.5340 1 0 2 35.61 4.98 2.5214 -1 -2 2 35.63 15.96 2.5199 -2 1 1 37.30 2.17 2.4110 2 -2 1 38.69 1.65 2.3274 -2 2 0 38.69 32.22 2.3271 -2 -1 2 40.32 14.98 2.2367 0 2 1 40.33 13.44 2.2363 2 -1 2 40.74 4.53 2.2150 0 1 2 40.86 3.38 2.2085 -1 2 1 41.42 3.43 2.1801 -1 1 2 41.52 4.84 2.1749 0 -3 1 41.85 15.63 2.1586 3 0 0 42.41 3.30 2.1313 2 -2 2 42.62 1.88 2.1213 0 -3 2 42.75 19.30 2.1153 -3 1 0 43.28 16.22 2.0907 0 -2 3 43.31 5.10 2.0890 -3 0 1 44.03 9.79 2.0565 1 -3 2 44.05 26.26 2.0557 -1 -1 3 44.22 1.33 2.0481 2 2 0 44.62 12.34 2.0309 1 2 1 44.66 1.34 2.0290 3 -1 1 45.36 9.50 1.9994 -1 -3 1 45.37 9.31 1.9990 -1 -2 3 45.50 3.73 1.9936 -3 -1 1 45.80 1.81 1.9810 1 -1 3 45.82 2.33 1.9803 1 -2 3 45.89 17.86 1.9776 -1 -3 2 46.37 9.53 1.9582 3 0 1 46.65 2.46 1.9469 3 1 0 46.73 11.75 1.9438 -2 1 2 46.74 3.78 1.9436 -3 1 1 46.76 11.94 1.9429 -1 3 0 47.88 28.93 1.9000 2 -3 1 48.25 8.03 1.8863 -1 0 3 49.09 2.83 1.8557 -3 2 0 49.96 3.53 1.8255 -3 -1 2 50.42 5.48 1.8100 1 3 0 51.07 6.01 1.7883 1 0 3 51.66 1.11 1.7694 -2 -2 3 51.88 2.98 1.7624 -1 -3 3 51.97 10.09 1.7595 3 -1 2 52.76 10.48 1.7352 -3 -2 1 52.89 22.55 1.7310 2 1 2 53.04 20.53 1.7266 2 -1 3 53.13 3.90 1.7240 3 -2 2 53.14 3.86 1.7237 -2 -3 1 53.14 3.83 1.7234 3 1 1 53.16 15.81 1.7229 -2 -3 2 53.78 8.93 1.7045 -1 2 2 53.79 19.24 1.7041 0 2 2 54.59 1.10 1.6810 -3 -2 2 55.65 11.55 1.6515 -3 1 2 55.73 2.63 1.6493 3 0 2 56.09 1.56 1.6396 0 -4 2 56.71 6.60 1.6233 1 -4 2 56.78 18.87 1.6213 2 -3 3 56.86 4.37 1.6194 3 -3 1 56.87 3.74 1.6189 4 0 0 57.04 1.81 1.6147 -1 1 3 57.37 8.47 1.6061 0 -2 4 57.39 10.95 1.6057 0 -4 1 57.62 11.88 1.5996 -4 0 1 58.12 15.16 1.5872 2 3 0 58.19 2.40 1.5854 -2 -3 3 59.00 5.57 1.5656 3 -3 2 59.10 2.43 1.5632 -3 -1 3 59.33 1.39 1.5576 -1 -4 2 59.58 7.14 1.5516 -3 3 0 59.65 11.73 1.5499 -2 3 1 59.69 11.56 1.5490 0 -4 3 59.88 3.55 1.5445 1 -2 4 60.03 1.64 1.5411 1 3 1 60.62 1.78 1.5274 1 1 3 60.70 1.54 1.5258 1 -4 3 60.93 6.66 1.5205 -2 1 3 60.96 4.72 1.5197 4 0 1 61.22 4.82 1.5140 -3 -2 3 61.53 4.07 1.5072 -3 0 3 61.65 9.39 1.5044 4 -2 1 62.19 5.63 1.4926 -1 -3 4 62.34 1.10 1.4896 1 -3 4 63.10 4.94 1.4733 -4 0 2 63.15 5.17 1.4722 -1 4 0 63.86 3.97 1.4576 3 2 1 64.13 7.60 1.4522 -2 -1 4 64.97 9.51 1.4354 0 0 4 65.09 1.65 1.4330 -3 2 2 66.56 7.26 1.4050 -4 2 1 67.19 1.11 1.3932 1 4 0 67.40 1.36 1.3894 2 3 1 67.51 4.08 1.3875 -2 -3 4 67.65 1.95 1.3849 -3 -3 3 67.82 9.75 1.3818 -4 -2 2 68.40 5.15 1.3715 2 -1 4 68.66 1.23 1.3670 3 0 3 68.73 1.39 1.3658 -1 3 2 69.03 4.07 1.3605 1 -4 4 69.38 1.87 1.3545 4 0 2 69.70 1.37 1.3490 0 2 3 69.85 7.75 1.3466 4 2 0 71.68 1.10 1.3166 -2 3 2 71.94 1.32 1.3124 1 -5 2 72.71 4.90 1.3004 -4 0 3 72.73 1.60 1.3001 -5 1 0 73.06 1.78 1.2951 5 0 0 73.15 1.64 1.2937 1 3 2 73.39 1.01 1.2901 -4 -2 3 73.45 2.68 1.2892 0 4 1 73.52 2.05 1.2882 1 2 3 73.85 1.83 1.2833 0 -2 5 74.62 1.40 1.2719 -1 -2 5 74.74 4.92 1.2702 4 -2 3 75.22 2.12 1.2632 -1 -5 2 75.85 1.29 1.2543 -3 -4 2 76.39 2.45 1.2468 3 -3 4 76.74 1.57 1.2420 5 -2 1 77.30 1.55 1.2344 4 2 1 77.39 2.54 1.2331 2 -5 3 77.42 1.23 1.2328 -1 -1 5 77.63 3.35 1.2299 -2 1 4 77.63 4.01 1.2299 2 -5 1 77.88 1.67 1.2267 -3 -4 3 77.89 1.78 1.2265 -5 0 2 77.92 1.78 1.2261 3 -1 4 77.93 2.96 1.2259 -3 3 2 78.07 1.24 1.2241 -3 -4 1 79.15 3.80 1.2101 4 -4 1 79.51 1.39 1.2055 4 -4 2 79.52 4.08 1.2053 0 -4 5 80.14 1.13 1.1975 1 -1 5 80.31 4.94 1.1954 2 3 2 80.45 1.98 1.1937 -2 -3 5 81.17 2.69 1.1849 5 -2 2 81.22 4.39 1.1843 -1 -5 4 81.56 4.46 1.1803 4 0 3 82.16 5.10 1.1732 2 -3 5 82.32 3.77 1.1714 -2 -5 3 82.40 1.08 1.1704 -5 -2 1 82.98 2.30 1.1637 -4 4 0 82.99 5.29 1.1635 -4 -2 4 83.91 2.41 1.1532 3 -5 1 83.94 1.00 1.1528 -3 1 4 84.04 1.74 1.1516 4 -4 3 84.06 1.39 1.1515 -3 -4 4 84.17 2.56 1.1502 -1 0 5 84.39 3.33 1.1478 3 -5 3 84.44 1.86 1.1473 3 4 0 85.15 1.18 1.1394 5 0 2 85.30 3.63 1.1379 2 1 4 85.44 4.48 1.1363 -2 -5 1 85.79 1.13 1.1326 5 2 0 86.00 2.09 1.1304 -4 0 4 86.04 3.28 1.1300 1 5 0 86.04 1.30 1.1300 -3 -2 5 86.23 2.84 1.1280 -1 4 2 86.40 3.44 1.1262 2 -1 5 87.06 4.39 1.1193 -2 3 3 87.50 1.55 1.1148 -1 2 4 87.77 1.46 1.1121 1 0 5 88.14 4.06 1.1084 -4 2 3 88.20 1.12 1.1078 -3 -3 5 88.23 2.68 1.1075 0 2 4 88.59 1.55 1.1039 -5 2 2 88.68 3.61 1.1031 4 2 2 89.55 1.11 1.0946 1 3 3 89.69 1.42 1.0932 5 -2 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.