Iranite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060781 Yang H, Sano J L, Eichler C, Downs R T, Costin G Acta Crystallographica C63 (2007) i122-i124 Iranite, CuPb10(CrO4)6(SiO4)2(OH)2, isomorphous with hemihedrite Locality: Chapacase mine, Sierra Cerillos district, Tocopilla, Chile CELL PARAMETERS: 9.5190 11.3800 10.7190 120.520 92.470 55.510 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.50000 0.00000 1.000 0.576 Pb 0.25932 0.10817 0.26084 1.000 1.322 Pb 0.26267 0.08803 0.65782 1.000 0.966 Pb 0.92955 0.24266 0.02886 1.000 1.050 Pb 0.73129 0.41520 0.74861 1.000 1.540 Pb 0.31800 0.45125 0.53230 1.000 1.234 Cr 0.95691 0.07568 0.35431 1.000 1.019 Cr 0.56240 0.17381 0.15417 1.000 0.671 Cr 0.45357 0.32313 0.83512 1.000 0.742 Si 0.02380 0.45300 0.66184 1.000 0.126 O 0.75260 0.22580 0.47930 1.000 2.156 O 0.10160 0.07910 0.44000 1.000 1.903 O 0.99600 0.11910 0.73730 1.000 1.413 O 0.97110 0.11130 0.22860 1.000 2.179 O 0.50940 0.13590 0.26930 1.000 1.240 O 0.42740 0.20110 0.05500 1.000 1.887 O 0.77030 0.00990 0.03280 1.000 1.311 O 0.53510 0.35640 0.26800 1.000 1.524 O 0.60890 0.28550 0.91270 1.000 1.887 O 0.46360 0.39610 0.74130 1.000 2.013 O 0.24940 0.48230 0.97290 1.000 1.255 O 0.48310 0.13760 0.71780 1.000 1.303 O 0.21110 0.30110 0.51350 1.000 1.019 O 0.03850 0.39270 0.77550 1.000 0.821 O 0.98980 0.37290 0.25770 1.000 1.169 O 0.84910 0.47980 0.61380 1.000 1.153 OH 0.13900 0.25940 0.93610 1.000 0.766 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 60.49145128 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.20 3.85 8.6693 0 0 1 11.65 1.60 7.5931 0 1 0 12.01 3.65 7.3661 1 0 0 12.81 1.33 6.9085 1 0 1 16.23 7.51 5.4623 1 1 1 16.56 3.13 5.3534 0 -1 2 18.29 19.98 4.8496 -1 0 1 18.31 49.82 4.8466 1 2 0 18.41 3.07 4.8181 1 -1 1 19.00 4.80 4.6712 2 1 0 19.04 23.64 4.6618 -1 -2 2 19.55 1.33 4.5414 0 1 1 20.22 2.34 4.3926 -2 -2 1 20.30 9.57 4.3738 -1 -1 2 20.37 34.55 4.3591 2 2 0 20.49 5.29 4.3346 0 0 2 20.71 1.74 4.2885 1 -1 2 20.91 1.48 4.2484 2 1 1 21.47 5.01 4.1383 -1 1 0 22.29 1.79 3.9883 -2 -1 1 22.75 26.91 3.9086 2 0 1 23.43 5.70 3.7966 0 2 0 24.16 12.97 3.6830 2 0 0 24.28 13.03 3.6651 -1 -3 2 24.46 7.38 3.6399 -2 -3 1 24.81 6.32 3.5889 -2 -2 2 25.20 1.71 3.5346 2 2 1 25.52 6.93 3.4899 0 -2 3 25.74 11.85 3.4617 -2 -3 2 25.76 14.60 3.4589 0 -1 3 25.79 14.93 3.4543 2 0 2 26.39 31.22 3.3777 -1 -2 3 26.98 9.77 3.3042 2 1 2 27.23 11.50 3.2753 -1 0 2 27.25 100.00 3.2730 1 -2 2 27.36 1.40 3.2597 2 3 0 27.97 1.63 3.1904 -1 -3 3 28.15 67.13 3.1695 3 2 0 28.20 3.42 3.1640 1 -2 1 28.27 21.36 3.1573 -1 1 1 29.05 71.64 3.0740 1 0 3 29.11 11.46 3.0680 0 1 2 29.14 7.75 3.0641 -2 -1 2 29.17 13.11 3.0617 1 3 0 29.43 12.50 3.0346 -2 0 1 29.56 1.45 3.0216 -3 -2 1 29.71 7.98 3.0075 -3 -3 1 29.73 1.28 3.0054 2 -1 2 30.10 16.16 2.9693 1 -2 3 30.35 2.52 2.9448 0 -3 3 30.36 1.77 2.9442 3 1 0 30.43 1.57 2.9374 0 -3 1 30.47 5.48 2.9339 3 2 1 30.72 6.78 2.9107 -2 -3 3 30.76 46.01 2.9067 0 2 1 30.77 1.01 2.9060 3 3 0 30.94 5.51 2.8898 0 0 3 31.50 39.17 2.8404 -2 -4 2 32.19 3.47 2.7808 -3 -3 2 32.28 33.75 2.7729 -2 -2 3 32.66 5.26 2.7416 -1 2 0 33.07 2.58 2.7086 -2 1 0 33.23 14.77 2.6962 -1 -4 2 33.26 2.07 2.6935 2 -1 3 33.45 18.78 2.6787 2 3 1 33.48 1.15 2.6767 0 -2 4 33.62 11.47 2.6660 -2 -4 3 33.92 5.44 2.6427 -3 -1 1 33.96 2.17 2.6396 -1 -4 3 34.21 3.78 2.6209 1 2 2 34.28 12.58 2.6160 -3 -2 2 34.30 3.91 2.6146 -3 -4 1 34.36 2.05 2.6097 3 0 1 34.41 1.43 2.6064 -3 -4 2 34.58 2.98 2.5936 -1 -3 4 35.09 2.80 2.5576 3 3 1 35.23 3.93 2.5477 1 1 3 35.27 1.88 2.5450 2 1 3 35.27 6.40 2.5450 3 0 2 35.33 4.11 2.5405 0 -3 4 35.44 2.79 2.5327 -1 -2 4 35.47 4.40 2.5310 0 3 0 35.55 3.91 2.5254 1 -1 4 35.79 1.72 2.5088 0 -1 4 35.85 8.86 2.5046 3 2 2 36.60 6.26 2.4554 3 0 0 37.08 1.11 2.4248 -2 0 2 37.10 2.96 2.4233 2 4 0 37.13 1.48 2.4216 -1 0 3 37.29 4.38 2.4114 3 4 0 38.14 8.33 2.3598 4 3 0 38.46 1.18 2.3408 -4 -3 1 38.54 1.20 2.3362 0 -4 3 38.55 2.10 2.3356 4 2 0 39.06 14.86 2.3061 0 -4 2 39.12 4.46 2.3028 3 0 3 39.16 2.25 2.3002 -2 1 1 39.23 2.10 2.2964 2 -2 1 39.34 3.18 2.2905 0 1 3 39.42 1.30 2.2858 1 -3 1 39.44 7.41 2.2847 3 1 3 39.69 3.45 2.2707 0 2 2 40.13 1.69 2.2470 -2 -5 3 40.31 8.30 2.2373 -3 -5 2 41.10 12.30 2.1963 -4 -4 2 41.31 3.69 2.1857 -3 -2 3 41.35 1.33 2.1834 4 1 1 41.43 3.29 2.1795 4 4 0 41.53 8.88 2.1743 -3 0 1 41.59 1.31 2.1717 -4 -3 2 41.67 9.60 2.1673 0 0 4 41.78 5.41 2.1619 3 3 2 41.86 5.91 2.1582 2 2 3 42.14 1.01 2.1443 2 -2 4 42.34 4.61 2.1346 0 -4 1 42.57 2.53 2.1235 4 1 0 42.69 2.60 2.1180 0 3 1 42.75 2.24 2.1153 -1 -5 3 42.76 3.88 2.1146 0 -2 5 42.83 6.37 2.1116 3 4 1 43.73 3.33 2.0700 2 4 1 43.73 2.21 2.0699 1 -2 5 43.75 4.88 2.0692 -2 2 0 43.92 12.98 2.0616 -1 -4 5 43.93 2.75 2.0612 -1 -5 2 44.09 1.43 2.0541 1 2 3 44.21 1.72 2.0488 -1 -5 4 44.61 3.79 2.0312 -1 3 0 44.71 3.38 2.0270 -4 -5 1 44.92 13.27 2.0177 -4 -4 3 45.02 2.27 2.0135 -3 -3 4 45.15 3.05 2.0083 1 -1 5 45.28 1.95 2.0026 3 0 4 45.45 6.43 1.9957 -3 1 0 45.48 4.52 1.9942 -4 -2 2 45.67 13.06 1.9865 0 -4 5 45.68 3.45 1.9860 4 3 2 45.68 2.05 1.9860 1 -3 5 45.73 3.68 1.9841 -2 -4 5 45.75 1.23 1.9832 1 1 4 46.27 2.05 1.9620 1 -4 3 46.47 11.78 1.9543 4 0 2 46.60 2.91 1.9492 3 -1 4 46.82 1.24 1.9403 4 1 3 46.95 5.12 1.9352 -2 -3 5 47.10 2.63 1.9295 2 -3 2 47.25 2.05 1.9238 3 1 4 47.57 5.24 1.9117 -2 -1 4 47.59 4.87 1.9109 -1 -5 1 48.03 3.17 1.8944 -3 -1 3 48.07 4.04 1.8926 -1 2 2 48.09 1.18 1.8921 1 4 1 48.15 17.31 1.8898 2 -2 5 48.21 8.45 1.8875 4 2 3 48.26 4.01 1.8859 2 5 0 48.63 7.96 1.8724 4 0 3 48.69 3.65 1.8702 5 4 0 48.75 7.15 1.8678 3 -2 3 48.79 1.20 1.8665 -3 -6 2 48.89 3.56 1.8630 3 -2 2 49.04 1.80 1.8577 0 -5 4 49.10 2.26 1.8554 5 3 1 49.50 7.76 1.8415 4 0 0 49.76 1.49 1.8325 -2 -6 4 49.82 3.33 1.8303 2 0 5 49.87 4.21 1.8287 5 2 1 49.88 1.48 1.8284 -3 -2 4 50.09 3.07 1.8209 0 1 4 50.10 1.25 1.8208 3 3 3 50.12 7.31 1.8200 -4 -6 2 50.29 2.02 1.8144 2 -3 1 50.30 3.50 1.8138 5 2 0 50.70 2.94 1.8007 1 -4 5 50.70 1.33 1.8005 0 -5 2 50.75 1.50 1.7989 -2 -6 2 50.80 1.43 1.7971 -3 -4 5 50.88 4.67 1.7945 -1 -1 5 50.89 1.47 1.7945 -4 -4 4 51.25 2.44 1.7825 -2 -2 5 51.50 5.43 1.7745 1 -4 1 51.71 1.88 1.7678 -1 3 1 51.72 4.72 1.7673 4 4 2 51.80 2.42 1.7648 -1 -4 6 51.87 1.96 1.7629 -3 -6 1 51.88 1.64 1.7624 2 2 4 52.48 1.38 1.7436 5 5 0 52.51 5.25 1.7426 -1 -3 6 52.60 1.39 1.7398 3 5 1 52.61 1.08 1.7396 4 3 3 53.01 4.96 1.7276 -1 -6 4 53.02 2.32 1.7271 4 0 4 53.04 4.05 1.7265 4 5 1 53.04 3.08 1.7264 -5 -2 1 53.15 2.77 1.7232 3 0 5 53.63 11.77 1.7089 -3 -6 5 53.87 1.39 1.7019 -3 -3 5 54.35 2.69 1.6880 -4 -3 4 54.55 1.16 1.6822 -5 -4 3 54.57 1.38 1.6816 -5 -6 2 54.65 1.23 1.6794 -2 -6 1 54.65 1.72 1.6793 1 3 3 54.69 3.88 1.6783 1 2 4 54.69 2.22 1.6783 4 -1 1 54.98 5.59 1.6700 -1 -6 5 55.28 1.20 1.6619 2 5 1 55.57 2.60 1.6537 1 -1 6 55.69 3.27 1.6506 -5 -6 3 55.75 1.02 1.6487 -1 -6 2 55.86 1.03 1.6459 2 -2 6 56.01 1.10 1.6419 -3 2 0 56.11 3.16 1.6391 -1 -2 6 56.17 3.41 1.6376 -2 0 4 56.19 3.13 1.6370 2 -4 3 56.21 6.37 1.6365 2 -4 4 56.28 5.49 1.6346 -2 1 3 56.73 4.59 1.6226 1 4 2 56.83 1.36 1.6200 1 1 5 56.97 2.16 1.6165 -3 0 3 57.00 2.95 1.6155 3 6 0 57.22 1.17 1.6101 -1 1 4 57.27 2.83 1.6087 -1 4 0 57.85 2.78 1.5938 -5 -2 2 58.05 4.12 1.5889 5 3 3 58.22 2.07 1.5848 6 4 0 58.22 1.11 1.5847 -3 -5 6 58.38 2.41 1.5807 2 -4 5 58.73 2.10 1.5720 -3 1 2 58.76 3.19 1.5714 -1 0 5 58.89 3.81 1.5682 5 6 0 58.93 4.75 1.5673 -5 -6 4 59.06 3.63 1.5642 3 4 3 59.10 1.53 1.5633 0 -6 4 59.52 1.02 1.5531 6 3 1 59.63 2.48 1.5505 3 3 4 59.71 2.05 1.5486 -3 -4 6 59.74 1.75 1.5478 -4 -1 3 59.82 1.32 1.5460 1 -5 2 59.85 1.26 1.5453 5 0 3 60.21 2.93 1.5370 2 0 6 60.28 2.13 1.5354 -1 -6 1 60.77 1.08 1.5241 4 -1 5 61.00 2.28 1.5188 0 -3 7 61.01 1.75 1.5187 5 1 4 61.07 1.15 1.5173 -4 0 2 61.36 5.65 1.5108 -6 -4 2 61.46 1.15 1.5086 2 4 3 61.57 1.23 1.5062 4 -2 2 61.67 1.64 1.5039 -1 -5 7 61.84 1.32 1.5003 1 -3 7 61.87 2.31 1.4997 -6 -6 1 62.49 1.60 1.4863 5 5 2 62.73 1.49 1.4812 2 2 5 62.79 1.52 1.4799 6 2 2 63.11 1.37 1.4732 5 0 0 63.16 1.36 1.4721 6 2 0 63.41 2.07 1.4670 6 4 2 63.93 1.03 1.4561 0 -2 7 63.97 1.24 1.4553 -4 -6 6 64.07 5.53 1.4534 0 4 2 64.09 1.15 1.4530 6 6 0 64.34 1.30 1.4479 -4 1 1 64.47 2.70 1.4454 4 2 5 64.54 1.47 1.4438 4 -2 1 64.98 1.21 1.4353 -1 -6 7 65.35 1.44 1.4280 -5 -1 2 66.13 1.17 1.4129 5 -1 2 67.56 1.02 1.3864 -4 -4 6 67.83 1.53 1.3817 5 0 5 68.08 2.80 1.3772 0 -6 7 68.39 3.25 1.3718 -5 -4 5 68.44 1.01 1.3708 -2 4 0 69.08 1.36 1.3598 3 4 4 69.37 1.12 1.3547 1 -6 3 69.51 1.13 1.3524 3 -2 7 69.67 1.34 1.3497 4 1 6 69.81 1.05 1.3472 -3 -4 7 69.84 1.05 1.3467 4 -2 6 69.98 2.04 1.3444 -4 -2 5 70.28 2.21 1.3394 4 6 2 70.48 2.32 1.3360 -3 2 2 70.51 1.21 1.3356 3 -4 2 70.84 1.13 1.3301 2 -5 2 71.93 2.45 1.3126 0 2 5 71.95 1.37 1.3124 6 3 4 71.99 2.84 1.3117 -4 -6 7 72.07 2.09 1.3104 4 -3 2 72.56 1.71 1.3029 6 0 3 72.95 1.50 1.2967 -6 -6 5 72.97 2.66 1.2965 1 0 7 73.75 1.60 1.2847 -2 -2 7 73.75 1.80 1.2847 1 -6 7 73.85 1.56 1.2832 5 -2 3 74.10 1.08 1.2795 5 -2 4 74.91 1.10 1.2677 -3 -3 7 75.06 1.96 1.2655 0 6 0 75.08 1.57 1.2652 -3 3 1 75.30 1.01 1.2620 4 -1 7 76.22 3.49 1.2492 3 -4 7 76.23 1.98 1.2490 5 -2 5 76.40 1.24 1.2467 6 1 5 76.92 1.85 1.2395 2 6 2 77.57 1.31 1.2307 -3 0 5 78.13 1.97 1.2233 -6 -2 3 79.49 1.19 1.2057 4 6 3 79.95 2.42 1.2000 4 -4 5 80.72 2.18 1.1904 5 4 5 81.73 2.34 1.1782 6 6 3 83.49 2.23 1.1579 -1 0 7 83.90 1.22 1.1533 2 4 5 83.94 1.35 1.1527 -1 4 3 85.72 1.27 1.1333 -1 6 0 87.41 1.72 1.1157 2 2 7 89.97 2.09 1.0905 1 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.