Emmonsite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060802 Pertlik F Tschermaks Mineralogische und Petrographische Mitteilungen 18 (1972) 157-168 Der strukturtyp von emmonsit, {Fe2[TeO3]3*H2O}*xH2O (x=0-1) Locality: Tombstone, Arizona, USA CELL PARAMETERS: 7.9100 7.9700 7.6400 96.590 95.490 84.790 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Fe 0.19452 0.02627 0.96827 1.000 0.410 Fe 0.30020 0.47704 0.51757 1.000 0.420 Te 0.52645 0.28821 0.14098 1.000 0.540 Te 0.02360 0.34375 0.20857 1.000 0.520 Te 0.12548 0.83745 0.31807 1.000 0.670 O 0.00530 0.11240 0.14480 1.000 0.930 O 0.07400 0.20570 0.80790 1.000 0.260 O 0.31220 0.22200 0.11310 1.000 1.150 O 0.37550 0.91740 0.82470 1.000 0.780 O 0.26610 0.86230 0.12360 1.000 0.310 O 0.12290 0.32250 0.43330 1.000 0.930 O 0.20570 0.61380 0.32940 1.000 1.660 O 0.19480 0.62770 0.71030 1.000 1.610 O 0.49600 0.36830 0.37640 1.000 1.370 Wa 0.38570 0.31490 0.71500 1.000 2.140 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 26.03167375 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.21 7.43 7.8915 0 1 0 11.27 38.00 7.8480 1 0 0 11.70 16.84 7.5613 0 0 1 15.27 28.94 5.8039 1 1 0 15.34 100.00 5.7772 0 -1 1 15.56 1.01 5.6960 -1 0 1 16.97 16.68 5.2249 1 0 1 17.89 7.33 4.9576 -1 -1 1 20.19 10.04 4.3976 1 -1 1 20.46 12.16 4.3407 -1 1 1 22.53 20.43 3.9457 0 2 0 22.66 15.60 3.9240 2 0 0 23.53 20.90 3.7806 0 0 2 24.30 74.56 3.6625 0 -2 1 24.42 8.93 3.6454 1 2 0 24.51 1.24 3.6325 2 1 0 24.64 63.11 3.6125 -2 0 1 25.00 52.22 3.5613 0 -1 2 25.25 30.56 3.5269 -1 0 2 25.61 13.16 3.4781 -1 -2 1 26.08 3.23 3.4163 -1 2 0 26.17 9.47 3.4057 -2 1 0 26.24 5.34 3.3968 -1 -1 2 26.48 5.74 3.3663 2 0 1 26.58 21.99 3.3540 0 2 1 27.05 1.79 3.2968 1 0 2 27.22 27.79 3.2757 0 1 2 28.06 2.44 3.1798 1 -2 1 28.43 23.89 3.1391 -2 1 1 28.60 89.81 3.1208 2 1 1 28.62 31.56 3.1186 1 2 1 28.72 12.49 3.1084 1 -1 2 29.06 8.62 3.0725 2 -1 1 29.10 3.72 3.0682 -1 1 2 29.27 34.48 3.0508 -1 2 1 29.99 2.11 2.9797 1 1 2 30.81 8.46 2.9019 2 2 0 30.96 16.52 2.8886 0 -2 2 31.41 41.49 2.8484 -2 -2 1 31.41 36.41 2.8480 -2 0 2 31.64 1.55 2.8277 -1 -2 2 31.89 2.73 2.8065 -2 -1 2 33.48 36.03 2.6764 -2 2 0 34.08 3.50 2.6305 0 3 0 34.28 1.88 2.6160 3 0 0 34.33 4.58 2.6124 2 0 2 34.40 5.06 2.6073 1 -2 2 34.57 16.56 2.5946 0 2 2 34.65 4.62 2.5887 2 2 1 34.89 6.14 2.5713 0 -3 1 34.95 3.18 2.5672 -2 1 2 35.26 2.03 2.5453 3 1 0 35.42 1.64 2.5341 2 -2 1 35.62 3.13 2.5204 0 0 3 35.87 2.79 2.5035 -3 -1 1 35.99 27.11 2.4951 2 -1 2 36.24 12.98 2.4791 0 -1 3 36.24 4.30 2.4788 -2 -2 2 36.45 2.60 2.4653 2 1 2 36.49 1.48 2.4623 -1 0 3 36.54 1.51 2.4591 1 2 2 37.07 6.47 2.4253 -3 1 0 37.33 1.73 2.4089 3 0 1 37.38 10.87 2.4058 0 3 1 37.98 9.37 2.3688 1 -3 1 38.44 4.78 2.3417 1 0 3 38.65 3.41 2.3298 0 1 3 39.30 2.14 2.2925 1 -1 3 39.59 3.36 2.2765 0 -3 2 39.68 9.89 2.2714 2 3 0 39.69 5.85 2.2708 -1 3 1 39.74 1.46 2.2683 -1 1 3 39.78 8.65 2.2662 3 2 0 39.78 1.05 2.2660 -2 -3 1 39.87 1.90 2.2613 -1 -3 2 40.19 4.91 2.2436 -3 0 2 40.31 2.75 2.2376 -3 -1 2 40.35 3.39 2.2354 0 -2 3 40.85 11.63 2.2090 -2 0 3 40.86 3.83 2.2085 -2 -1 3 41.02 14.07 2.2002 1 1 3 41.61 3.12 2.1704 -2 2 2 42.68 7.99 2.1184 1 -3 2 42.91 5.24 2.1077 -2 3 0 43.21 5.60 2.0939 3 2 1 43.43 3.27 2.0838 1 -2 3 43.74 1.52 2.0694 3 0 2 44.08 9.76 2.0543 -2 1 3 44.11 8.52 2.0532 -2 -2 3 44.36 2.82 2.0421 2 0 3 45.24 1.11 2.0043 3 1 2 45.37 4.63 1.9991 1 3 2 45.37 2.49 1.9988 2 -1 3 45.91 8.48 1.9768 -1 2 3 46.27 1.40 1.9620 4 0 0 46.30 13.81 1.9609 0 -4 1 46.43 5.73 1.9559 2 1 3 46.55 10.20 1.9509 1 4 0 46.57 2.33 1.9503 1 2 3 46.80 12.45 1.9411 4 1 0 46.82 9.96 1.9402 -4 0 1 47.01 5.46 1.9328 -4 -1 1 47.20 6.37 1.9257 0 -3 3 47.68 1.03 1.9073 -3 -1 3 47.91 7.57 1.8987 -3 0 3 48.29 10.93 1.8846 0 -1 4 48.48 4.45 1.8779 -1 -1 4 48.48 1.92 1.8778 -1 4 0 48.56 5.70 1.8749 -1 0 4 48.62 7.66 1.8726 2 -3 2 48.95 4.60 1.8609 0 4 1 49.02 2.56 1.8581 1 -4 1 49.32 6.43 1.8478 -3 2 2 49.32 1.47 1.8477 2 -2 3 49.57 4.72 1.8389 -4 1 1 49.64 1.83 1.8366 3 2 2 49.68 3.17 1.8352 2 3 2 49.78 6.24 1.8315 4 1 1 49.79 7.92 1.8313 0 -4 2 49.81 1.29 1.8308 -2 -4 1 50.04 8.47 1.8227 2 4 0 50.09 6.89 1.8211 -2 -3 3 50.12 4.09 1.8201 -4 -2 1 50.23 1.39 1.8162 4 2 0 50.32 1.89 1.8133 3 3 1 50.35 2.59 1.8123 -3 -2 3 50.39 3.95 1.8108 -4 -1 2 50.53 2.76 1.8063 -4 0 2 50.86 4.32 1.7953 0 1 4 50.99 13.94 1.7909 4 -1 1 51.01 1.01 1.7902 1 -1 4 51.06 3.62 1.7888 -1 4 1 51.26 2.48 1.7823 -1 -2 4 51.28 1.50 1.7814 2 2 3 51.31 3.06 1.7806 0 -2 4 51.49 1.31 1.7748 -1 1 4 52.53 1.52 1.7420 3 -3 1 52.55 2.07 1.7416 3 0 3 52.63 3.46 1.7390 -2 -4 2 52.88 2.21 1.7312 -3 3 1 53.05 4.35 1.7264 -4 -2 2 53.66 1.08 1.7082 -2 4 0 53.66 3.46 1.7080 3 -1 3 53.84 2.31 1.7029 -4 2 0 54.16 1.43 1.6935 3 1 3 54.23 1.46 1.6914 -1 3 3 54.41 5.41 1.6863 2 -4 1 54.52 1.72 1.6832 4 0 2 54.74 1.94 1.6770 0 4 2 54.87 2.72 1.6732 -2 1 4 54.93 2.01 1.6715 -4 2 1 55.58 1.71 1.6535 4 1 2 55.62 1.13 1.6525 -3 -3 3 55.62 3.80 1.6525 -3 -4 1 55.70 5.11 1.6503 1 4 2 55.74 3.23 1.6492 2 -3 3 55.77 1.57 1.6484 2 0 4 55.78 3.58 1.6482 -4 -3 1 55.80 3.33 1.6476 -1 -4 3 55.83 4.11 1.6468 -2 4 1 56.04 1.11 1.6411 0 -4 3 56.07 1.13 1.6401 3 4 0 56.16 2.00 1.6379 0 2 4 56.18 6.27 1.6373 4 3 0 56.34 2.49 1.6331 2 -1 4 56.43 10.31 1.6306 3 3 2 56.46 2.77 1.6299 -1 4 2 56.52 1.58 1.6282 -4 -1 3 56.60 1.01 1.6262 -1 -3 4 56.65 3.91 1.6248 -3 2 3 56.75 3.67 1.6223 3 -3 2 56.94 4.75 1.6172 -4 0 3 56.96 1.90 1.6167 -1 2 4 57.40 1.97 1.6053 3 -2 3 57.41 4.84 1.6051 -3 3 2 57.65 3.35 1.5990 -3 0 4 58.01 1.04 1.5899 -3 -4 2 58.15 2.10 1.5864 -2 3 3 58.22 1.79 1.5847 -4 -3 2 58.35 1.54 1.5816 3 2 3 58.44 3.15 1.5793 2 3 3 58.84 2.40 1.5695 -4 2 2 58.89 1.33 1.5681 1 -4 3 58.95 2.57 1.5667 -2 -3 4 59.21 2.96 1.5604 4 2 2 59.26 2.23 1.5593 2 4 2 59.48 3.37 1.5542 2 -2 4 59.71 5.74 1.5486 1 -3 4 60.33 1.80 1.5341 -2 2 4 60.71 1.78 1.5254 -2 4 2 60.79 5.02 1.5237 -1 5 0 60.96 4.09 1.5198 -1 -5 2 61.05 4.15 1.5178 -2 -5 1 61.17 2.10 1.5152 -4 3 0 61.35 1.54 1.5111 5 0 1 61.50 5.10 1.5078 -5 -2 1 61.53 3.17 1.5070 2 5 0 61.63 1.65 1.5049 -5 1 1 61.72 3.94 1.5030 -5 -1 2 61.99 2.96 1.4971 3 -4 1 62.44 4.10 1.4873 4 0 3 62.58 2.69 1.4842 4 -3 1 62.85 5.04 1.4785 -3 4 1 63.21 2.84 1.4710 -1 -2 5 63.30 1.48 1.4693 -1 5 1 63.51 10.16 1.4648 -2 -1 5 63.64 3.18 1.4621 4 -1 3 63.66 2.36 1.4617 1 0 5 63.72 2.06 1.4606 1 -1 5 63.86 1.10 1.4577 1 -5 2 64.21 5.94 1.4505 -1 4 3 64.23 3.20 1.4501 -1 1 5 64.80 1.81 1.4388 -5 1 2 64.82 6.56 1.4383 3 1 4 64.95 1.67 1.4357 2 -3 4 65.13 6.35 1.4323 1 3 4 65.15 1.36 1.4319 4 3 2 65.24 1.33 1.4301 -4 2 3 65.55 5.26 1.4242 -4 -4 2 65.90 1.46 1.4173 2 -5 1 66.02 5.27 1.4150 1 1 5 66.04 4.36 1.4147 -3 2 4 66.08 3.61 1.4139 -2 -4 4 66.44 3.51 1.4071 0 -5 3 66.61 5.21 1.4041 4 -3 2 66.65 6.09 1.4033 -4 -2 4 66.96 1.65 1.3975 -5 -1 3 67.19 3.71 1.3933 5 1 2 67.22 2.39 1.3926 4 -2 3 67.90 1.40 1.3804 -2 3 4 68.14 3.78 1.3762 0 -3 5 68.37 2.08 1.3720 2 0 5 69.00 1.82 1.3610 -3 0 5 69.93 2.10 1.3453 -3 -2 5 69.93 2.19 1.3452 3 5 1 70.04 2.71 1.3434 5 3 1 70.07 1.71 1.3429 -4 -4 3 70.30 1.82 1.3390 2 5 2 70.44 1.95 1.3368 -5 1 3 71.77 2.67 1.3152 0 6 0 72.23 1.23 1.3080 6 0 0 72.26 3.29 1.3075 6 1 0 72.59 3.31 1.3024 -5 3 0 72.97 1.62 1.2965 3 -5 1 73.12 1.70 1.2942 -4 -5 1 73.69 1.81 1.2857 0 -6 2 73.95 2.72 1.2818 -3 4 3 74.01 2.06 1.2808 0 -5 4 74.04 1.86 1.2804 -1 6 0 74.23 1.30 1.2776 0 5 3 74.24 2.65 1.2774 -6 -1 2 74.28 1.94 1.2768 -3 5 1 74.29 3.83 1.2767 2 -5 3 74.48 1.27 1.2739 -6 1 0 74.74 1.15 1.2702 -6 1 1 74.78 1.29 1.2696 -1 -1 6 74.79 2.32 1.2694 1 6 1 74.92 1.12 1.2675 0 -4 5 75.10 2.12 1.2650 3 3 4 75.12 2.71 1.2647 -2 -5 4 75.25 4.13 1.2629 -2 -6 2 75.43 1.70 1.2602 0 0 6 75.66 1.09 1.2570 3 -1 5 75.72 1.19 1.2561 -4 4 2 75.85 1.06 1.2543 0 3 5 76.03 1.00 1.2518 -6 -2 2 76.52 3.26 1.2450 -1 3 5 76.68 3.95 1.2427 6 -1 1 76.99 1.69 1.2385 -5 3 2 77.28 1.81 1.2345 4 5 1 77.45 1.66 1.2323 -6 1 2 77.45 1.15 1.2323 1 3 5 77.52 1.06 1.2313 6 2 1 77.59 2.73 1.2305 1 -1 6 77.87 1.99 1.2267 -3 -6 1 78.16 2.86 1.2229 -1 1 6 78.32 1.46 1.2208 3 -2 5 78.35 2.03 1.2204 -6 -3 1 78.80 1.96 1.2146 -4 -5 3 79.09 1.02 1.2108 6 3 0 79.18 1.15 1.2097 -4 1 5 79.44 1.14 1.2063 -2 -6 3 79.59 1.23 1.2045 6 0 2 79.64 1.13 1.2038 -5 -3 4 80.16 1.09 1.1974 1 6 2 81.51 2.29 1.1809 -1 6 2 81.99 1.11 1.1752 -2 -3 6 82.02 1.04 1.1748 4 -5 1 82.05 1.08 1.1744 3 6 1 82.85 1.10 1.1652 6 2 2 82.90 1.15 1.1646 2 -4 5 83.23 1.44 1.1608 5 5 0 83.35 1.23 1.1595 5 0 4 83.40 1.26 1.1589 5 3 3 83.48 2.69 1.1579 3 5 3 83.54 1.67 1.1573 -5 2 4 84.11 1.69 1.1509 -6 -3 3 84.53 1.43 1.1463 2 -2 6 84.99 1.76 1.1412 1 5 4 85.06 2.05 1.1404 -3 1 6 85.17 1.36 1.1393 6 -2 2 85.18 2.79 1.1392 -5 0 5 85.18 1.11 1.1391 -1 5 4 85.19 1.21 1.1391 4 -5 2 85.99 1.07 1.1305 -4 -4 5 86.28 2.20 1.1274 -6 3 1 86.82 1.55 1.1218 -6 0 4 89.05 2.54 1.0994 4 -4 4 89.45 1.90 1.0955 -4 -6 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.