Fingerite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070614 Finger L W American Mineralogist 70 (1985) 197-199 Fingerite Cu11O2(VO4)6: a new vanadium sublimate from Izalco Volcano, El Salvador: crystal structure CELL PARAMETERS: 8.1620 8.2680 8.0450 107.096 91.414 106.429 SPACE GROUP: P-1 ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 0.560 Cu 0.84100 0.14550 0.72210 1.000 0.640 Cu 0.70460 0.33720 0.50080 1.000 0.570 Cu 0.58070 0.50780 0.27710 1.000 0.710 Cu 0.78450 0.25220 0.12660 1.000 0.600 Cu 0.37110 0.14600 0.14850 1.000 1.120 V 0.90250 0.75370 0.56750 1.000 0.410 V 0.18710 0.43760 0.07810 1.000 0.380 V 0.58870 0.93480 0.26670 1.000 0.390 O 0.70550 0.57570 0.51310 1.000 0.640 O 0.78760 0.47850 0.08910 1.000 0.700 O 0.36280 0.37000 0.11380 1.000 0.740 O 0.81830 0.39110 0.74040 1.000 0.680 O -0.00030 0.24910 0.02000 1.000 0.570 O 0.95020 0.32560 0.37680 1.000 0.820 O 0.38040 0.92680 0.18140 1.000 0.610 O 0.72870 -0.00930 0.11500 1.000 0.650 O 0.12430 0.07300 0.24050 1.000 0.610 O 0.40240 0.72240 0.73690 1.000 0.530 O 0.33230 0.91330 0.53310 1.000 0.720 O 0.42860 0.26450 0.71790 1.000 1.050 O 0.95460 0.81850 0.39370 1.000 0.780 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 6 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 7.221547659 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 11.38 4.11 7.7744 1 0 0 11.59 8.34 7.6362 0 0 1 11.75 2.65 7.5297 0 1 0 13.66 14.70 6.4806 -1 1 0 13.68 100.00 6.4725 0 -1 1 15.28 16.86 5.7994 -1 0 1 16.35 8.68 5.4229 1 -1 1 18.73 60.06 4.7375 1 1 0 19.43 16.59 4.5684 -1 1 1 22.33 1.01 3.9818 -2 1 0 22.56 12.02 3.9405 0 -1 2 22.78 1.32 3.9035 1 -2 1 22.88 21.49 3.8872 2 0 0 22.91 15.01 3.8822 -1 2 0 23.30 6.71 3.8181 0 0 2 24.44 46.31 3.6417 -2 0 1 24.64 23.40 3.6135 1 1 1 24.74 63.19 3.5986 -1 0 2 24.74 20.78 3.5984 2 -1 1 25.70 9.59 3.4665 -2 1 1 25.73 9.37 3.4628 -1 -1 2 26.93 52.92 3.3104 2 0 1 27.20 48.04 3.2780 1 0 2 27.53 10.36 3.2403 -2 2 0 28.00 13.68 3.1866 2 -2 1 28.10 12.73 3.1751 -1 -2 1 28.42 10.10 3.1408 -1 2 1 28.63 15.94 3.1179 -2 -1 1 28.87 32.47 3.0925 2 1 0 29.12 1.32 3.0669 -1 1 2 29.33 26.08 3.0452 1 2 0 29.36 71.34 3.0419 0 1 2 29.56 43.21 3.0215 0 2 1 30.84 88.41 2.8997 -2 0 2 31.61 21.29 2.8302 -1 -2 2 31.72 76.05 2.8207 2 -1 2 31.80 7.50 2.8138 -2 2 1 32.60 86.51 2.7469 1 -3 1 32.96 79.74 2.7174 -3 1 0 32.97 38.06 2.7169 -2 -1 2 33.24 98.95 2.6953 -2 1 2 33.44 61.32 2.6800 0 -1 3 33.60 45.06 2.6674 2 1 1 33.89 2.96 2.6453 1 1 2 33.92 28.10 2.6432 0 -3 1 34.04 19.67 2.6337 -1 3 0 34.82 9.88 2.5766 2 0 2 34.84 29.54 2.5752 1 2 1 34.94 18.22 2.5683 -3 1 1 35.17 5.71 2.5520 3 -1 1 35.24 6.17 2.5469 -3 0 1 35.26 8.40 2.5454 0 0 3 35.34 53.55 2.5399 2 -3 1 35.36 1.33 2.5385 1 -3 2 35.60 3.71 2.5220 -3 2 0 35.61 61.78 2.5214 1 -1 3 35.78 2.98 2.5099 0 3 0 35.81 10.49 2.5078 -1 0 3 35.85 15.23 2.5048 0 -2 3 36.13 44.22 2.4858 0 -3 2 36.23 6.81 2.4793 -2 3 0 36.43 43.88 2.4661 3 -2 1 36.57 17.12 2.4573 -2 -2 1 36.74 37.10 2.4465 1 -2 3 37.15 26.88 2.4204 -1 2 2 37.99 23.59 2.3688 2 2 0 38.49 7.04 2.3391 1 0 3 38.49 9.94 2.3388 0 2 2 38.66 12.40 2.3292 -3 2 1 38.71 5.08 2.3262 -1 -2 3 38.93 11.20 2.3135 -1 -3 1 39.28 8.80 2.2935 -1 3 1 39.49 63.07 2.2822 -3 -1 1 39.67 68.90 2.2720 -3 0 2 40.09 9.57 2.2493 3 1 0 40.55 12.50 2.2245 -3 1 2 40.59 5.24 2.2229 -2 -1 3 40.82 9.31 2.2104 -2 3 1 40.83 28.79 2.2101 0 1 3 41.00 2.00 2.2011 1 3 0 41.15 1.70 2.1934 2 -2 3 41.21 1.49 2.1903 2 -1 3 41.24 2.20 2.1893 0 3 1 41.46 8.80 2.1778 2 1 2 41.60 7.77 2.1711 1 -3 3 41.82 4.83 2.1602 -3 3 0 43.20 1.11 2.0941 1 2 2 43.86 76.34 2.0641 1 -4 1 44.70 2.26 2.0274 -2 -2 3 44.72 3.37 2.0264 1 1 3 44.80 70.09 2.0232 2 0 3 44.93 6.70 2.0174 -3 2 2 45.00 12.65 2.0144 1 -4 2 45.04 15.01 2.0129 2 -4 1 45.19 4.56 2.0066 0 -1 4 45.56 3.81 1.9909 -4 2 0 45.57 1.13 1.9908 -3 3 1 45.89 1.42 1.9776 0 -4 1 46.04 1.11 1.9716 -1 4 0 46.24 9.67 1.9633 -1 -1 4 46.57 8.24 1.9501 4 -1 1 46.62 2.60 1.9482 0 -4 2 46.74 5.66 1.9436 4 0 0 46.77 1.89 1.9421 -3 -2 1 46.80 10.67 1.9411 -2 4 0 46.86 6.82 1.9388 -4 0 1 47.01 5.14 1.9331 -3 0 3 47.26 2.21 1.9233 -1 3 2 47.64 6.32 1.9090 0 0 4 47.70 2.11 1.9066 -1 0 4 48.24 2.56 1.8867 -2 3 2 48.35 1.81 1.8824 0 4 0 48.41 2.96 1.8803 -3 -2 2 48.80 1.25 1.8661 2 3 0 49.09 3.14 1.8557 0 2 3 49.28 1.45 1.8490 1 -4 3 49.30 10.10 1.8484 3 -1 3 49.31 7.21 1.8479 0 3 2 50.10 17.16 1.8208 -4 0 2 50.14 3.56 1.8193 0 -3 4 50.49 6.89 1.8076 3 -3 3 50.51 12.40 1.8068 2 2 2 50.74 14.29 1.7993 -2 0 4 50.74 8.18 1.7992 4 -2 2 50.82 1.72 1.7968 -1 -4 1 50.98 1.15 1.7912 3 -4 2 51.15 9.80 1.7858 -1 -4 2 51.20 12.16 1.7842 -1 4 1 51.31 2.80 1.7805 2 1 3 51.66 9.64 1.7692 -2 -3 3 52.04 3.82 1.7572 4 1 0 52.11 1.40 1.7551 -3 3 2 52.19 2.55 1.7528 2 -1 4 52.82 1.37 1.7333 -4 2 2 52.88 14.06 1.7314 -2 -2 4 52.90 6.69 1.7309 4 -3 2 52.91 5.15 1.7305 -1 -3 4 53.06 2.91 1.7259 0 1 4 53.33 21.74 1.7177 3 0 3 53.33 9.33 1.7177 -4 -1 2 53.39 1.67 1.7161 1 2 3 53.45 5.84 1.7144 1 4 0 53.68 3.01 1.7074 0 4 1 54.22 2.84 1.6917 -2 1 4 54.41 12.68 1.6862 -1 -4 3 55.52 9.42 1.6552 4 0 2 55.57 3.13 1.6538 3 -4 3 55.95 6.88 1.6433 4 -4 1 56.40 2.86 1.6314 -3 0 4 56.62 9.02 1.6255 1 1 4 56.77 3.20 1.6215 -3 -3 2 56.78 9.97 1.6213 -4 1 3 56.79 8.40 1.6212 -5 2 0 57.37 5.86 1.6061 -5 1 1 57.45 1.84 1.6040 4 -2 3 57.57 3.56 1.6010 0 -2 5 57.68 5.45 1.5982 -2 3 3 58.01 4.79 1.5900 5 -2 1 58.11 27.42 1.5875 2 -4 4 58.19 1.42 1.5853 -4 -1 3 58.27 1.06 1.5834 -2 -3 4 58.27 2.31 1.5833 -1 -1 5 58.33 1.01 1.5819 -5 2 1 58.39 3.02 1.5804 0 -5 2 58.44 6.85 1.5792 3 3 0 58.63 2.22 1.5745 -2 5 0 58.64 3.15 1.5742 0 -5 1 58.76 3.82 1.5713 1 4 1 58.78 3.93 1.5709 3 -3 4 58.81 11.66 1.5701 -1 5 0 58.82 5.34 1.5699 1 -2 5 58.84 2.46 1.5695 -3 1 4 59.01 3.63 1.5654 1 -5 3 59.06 9.51 1.5642 3 -5 1 59.27 1.91 1.5592 0 3 3 59.28 2.56 1.5589 -4 -2 2 59.45 9.15 1.5549 5 0 0 59.45 1.32 1.5548 3 -1 4 59.70 1.90 1.5490 -5 3 0 59.75 3.70 1.5477 3 -5 2 59.77 3.09 1.5472 2 -5 3 59.77 7.74 1.5471 1 -1 5 59.81 2.40 1.5463 4 2 0 59.98 9.22 1.5423 3 1 3 60.03 4.19 1.5412 5 -3 1 60.04 1.56 1.5408 -3 -2 4 60.27 7.15 1.5355 -1 -4 4 60.38 6.57 1.5331 -1 0 5 60.42 40.67 1.5322 -4 4 1 60.63 10.78 1.5272 0 0 5 60.75 6.00 1.5246 -5 1 2 60.80 16.02 1.5233 -2 -4 3 60.83 1.31 1.5228 -3 3 3 60.85 3.14 1.5223 0 -5 3 60.91 10.57 1.5210 0 2 4 61.29 6.06 1.5125 2 3 2 61.37 3.93 1.5108 0 4 2 61.58 1.31 1.5059 0 5 0 61.71 11.60 1.5031 -5 0 2 62.04 8.34 1.4959 -5 3 1 62.33 44.20 1.4897 5 0 1 62.40 6.20 1.4881 -1 -3 5 62.42 1.01 1.4877 4 -4 3 62.58 23.16 1.4843 3 -4 4 62.62 1.44 1.4834 2 -2 5 62.69 44.43 1.4820 -2 0 5 62.91 3.42 1.4774 -2 -2 5 63.01 5.53 1.4752 -4 -2 3 63.09 5.18 1.4736 3 -5 3 63.44 1.19 1.4663 1 0 5 63.49 4.43 1.4652 5 -1 2 63.60 1.17 1.4630 -2 5 1 63.60 1.06 1.4629 2 -3 5 63.65 23.03 1.4618 -1 -5 1 63.87 5.18 1.4573 3 0 4 63.88 4.21 1.4573 1 3 3 63.92 1.18 1.4565 -3 2 4 64.07 10.35 1.4534 -1 5 1 64.31 2.18 1.4485 4 -5 1 64.33 1.07 1.4481 2 -1 5 64.38 13.35 1.4471 1 -5 4 65.13 1.40 1.4323 1 -4 5 65.20 1.55 1.4309 -5 4 0 65.27 11.25 1.4295 4 -5 2 65.34 8.38 1.4282 -5 -1 2 65.40 1.11 1.4269 2 -5 4 65.41 4.36 1.4269 -4 -1 4 65.63 11.90 1.4226 -3 5 1 65.73 4.20 1.4206 -4 1 4 65.93 1.24 1.4167 -4 5 0 66.02 1.79 1.4151 -2 -4 4 66.07 1.17 1.4141 2 4 1 66.14 6.24 1.4129 0 1 5 66.37 28.28 1.4085 1 4 2 66.70 3.33 1.4023 -5 0 3 66.99 2.12 1.3970 -3 -1 5 66.99 2.02 1.3968 -2 -3 5 67.68 1.94 1.3843 5 0 2 68.19 1.19 1.3753 5 -2 3 68.24 5.54 1.3744 -5 4 1 68.34 1.45 1.3727 -1 4 3 68.34 1.01 1.3725 -1 -4 5 68.45 9.49 1.3706 5 -3 3 68.56 2.66 1.3688 -1 3 4 68.61 1.27 1.3678 2 0 5 68.63 1.77 1.3674 1 -6 2 68.74 2.23 1.3656 3 -2 5 68.74 1.30 1.3656 2 -6 1 68.75 1.56 1.3654 4 -5 3 68.75 3.29 1.3654 -2 3 4 68.92 4.21 1.3625 3 -3 5 69.08 2.75 1.3597 -5 2 3 69.15 1.29 1.3584 -4 -2 4 69.25 24.16 1.3567 -3 -4 3 69.31 7.93 1.3557 4 -4 4 69.57 2.32 1.3512 1 1 5 69.59 9.53 1.3510 4 3 0 70.04 4.37 1.3434 -4 5 1 70.06 1.42 1.3430 -2 -5 2 70.20 5.90 1.3407 -3 4 3 70.21 1.28 1.3405 -4 -3 3 70.24 2.19 1.3400 -6 2 1 70.34 3.12 1.3384 2 -6 3 70.38 3.80 1.3377 3 3 2 70.39 1.59 1.3375 1 -6 3 70.63 3.06 1.3337 4 2 2 70.85 4.14 1.3300 -2 5 2 70.86 4.93 1.3298 -2 -5 1 71.01 2.20 1.3274 0 4 3 71.02 1.88 1.3273 -6 3 0 71.34 12.41 1.3220 -3 3 4 71.37 1.06 1.3216 0 -6 2 71.61 2.91 1.3178 6 -3 1 71.65 3.50 1.3170 1 -2 6 71.74 1.06 1.3157 -2 -5 3 71.88 5.38 1.3135 0 -3 6 71.99 1.35 1.3117 1 -5 5 72.93 7.43 1.2972 5 -5 2 73.10 4.94 1.2945 0 -5 5 73.13 2.42 1.2941 -3 6 0 73.25 2.90 1.2923 2 -5 5 73.58 3.05 1.2872 -1 -3 6 73.67 1.31 1.2860 -5 4 2 73.95 1.01 1.2817 -5 0 4 74.10 1.27 1.2795 2 5 0 74.51 3.53 1.2734 -6 0 2 74.62 3.12 1.2718 -5 1 4 74.63 1.41 1.2717 6 -3 2 74.66 1.61 1.2713 0 5 2 74.75 2.02 1.2700 4 -6 2 74.80 2.30 1.2692 2 -6 4 75.18 1.25 1.2638 6 -4 1 75.28 2.85 1.2624 2 1 5 75.33 1.85 1.2616 3 4 1 75.38 4.47 1.2610 -6 4 0 75.88 1.33 1.2539 -2 0 6 75.90 2.22 1.2535 1 -4 6 75.95 4.87 1.2529 3 0 5 75.98 2.49 1.2525 1 4 3 76.23 1.17 1.2490 -4 3 4 76.53 3.42 1.2448 -1 -5 5 76.63 2.49 1.2435 5 -2 4 76.67 1.17 1.2429 0 -6 4 77.39 6.60 1.2331 6 -4 2 77.46 5.49 1.2323 -4 -2 5 77.65 1.43 1.2296 -1 -6 1 77.76 3.70 1.2282 -5 2 4 77.97 1.56 1.2254 -6 4 1 78.13 3.88 1.2232 2 -4 6 78.29 4.20 1.2212 -4 -4 1 78.38 8.94 1.2200 -1 -4 6 79.14 2.39 1.2102 -2 4 4 79.34 5.05 1.2077 4 2 3 79.60 2.84 1.2044 5 -1 4 79.67 1.55 1.2034 2 5 1 79.98 2.91 1.1995 -3 0 6 80.11 1.54 1.1980 -3 -2 6 80.36 1.07 1.1949 -3 -5 3 80.78 1.66 1.1897 -3 -4 5 80.89 1.52 1.1883 -3 4 4 81.04 1.38 1.1865 1 -6 5 81.14 1.50 1.1853 6 -5 1 81.22 3.27 1.1844 4 4 0 81.28 1.26 1.1837 4 3 2 81.36 4.09 1.1827 3 -2 6 81.66 1.94 1.1791 1 -5 6 82.00 1.59 1.1751 2 3 4 82.03 1.83 1.1748 -5 -3 3 82.11 1.32 1.1738 -6 -1 3 82.26 1.86 1.1721 5 3 0 82.37 3.36 1.1707 5 1 3 82.56 1.08 1.1685 6 -5 2 82.90 1.23 1.1646 -6 4 2 83.58 1.23 1.1568 -7 2 1 83.81 1.11 1.1543 -3 -3 6 84.16 1.53 1.1503 2 2 5 84.19 5.15 1.1501 -7 1 1 84.39 1.25 1.1478 7 -2 1 84.71 2.76 1.1443 -5 1 5 85.00 4.55 1.1411 -6 -2 2 85.86 1.26 1.1318 -4 -1 6 85.93 1.55 1.1312 0 -1 7 86.32 1.07 1.1270 6 -5 3 86.47 1.22 1.1254 4 4 1 86.57 2.13 1.1244 -1 2 6 87.49 1.16 1.1149 2 5 2 87.88 4.12 1.1110 7 -3 2 88.10 1.20 1.1087 6 1 2 88.21 1.52 1.1077 4 -3 6 88.81 2.19 1.1017 6 -2 4 89.17 1.23 1.0983 3 5 1 89.18 1.29 1.0982 2 -3 7 89.25 4.61 1.0975 -7 3 2 89.33 1.78 1.0967 4 -4 6 89.52 2.32 1.0948 -3 2 6 89.75 3.76 1.0927 3 0 6 89.93 2.72 1.0909 0 0 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.