Vauquelinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060676 Fanfani L, Zanazzi P F Zeitschrift fur Kristallographie 126 (1968) 433-443 The crystal structure of vauquelinite and the relationships to fornacite Locality: Beresov, Ural Mountains, Russia CELL PARAMETERS: 13.7480 5.8150 9.5820 90.000 94.190 90.000 SPACE GROUP: P2_1/n ATOM X Y Z OCCUPANCY ISO(B) Pb 0.73630 0.22560 0.49540 1.000 2.990 Pb 0.05350 0.76860 0.16660 1.000 2.220 Cu 0.00000 0.00000 0.50000 1.000 2.960 Cu 0.00000 0.50000 0.50000 1.000 1.330 Cr 0.86200 0.26250 0.18110 1.000 1.690 P 0.15840 0.27370 0.32070 1.000 1.830 O 0.12030 0.04780 0.38060 1.000 3.130 O 0.11040 0.47800 0.38680 1.000 3.250 O 0.11920 0.25890 0.16790 1.000 2.530 O 0.26830 0.29510 0.34700 1.000 2.500 O 0.89100 0.02810 0.10130 1.000 2.530 O 0.91030 0.48360 0.09640 1.000 1.980 O 0.91130 0.23600 0.33810 1.000 1.910 O 0.74700 0.27350 0.18380 1.000 2.320 OH 0.95290 0.78370 0.38410 1.000 2.210 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 12 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 91.42491244 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.89 12.52 8.1234 -1 0 1 18.57 5.28 4.7782 0 0 2 18.77 54.99 4.7284 -1 1 1 20.02 11.34 4.4346 2 1 0 21.69 1.53 4.0972 -2 1 1 21.88 9.67 4.0617 -2 0 2 22.16 16.91 4.0107 3 0 1 23.46 12.49 3.7922 2 0 2 24.11 16.08 3.6917 0 1 2 25.99 4.84 3.4290 -3 1 1 25.99 8.53 3.4278 4 0 0 26.77 24.59 3.3298 -2 1 2 27.01 100.00 3.3015 3 1 1 28.30 13.64 3.1540 -1 0 3 29.24 10.86 3.0540 1 0 3 30.27 23.66 2.9529 4 1 0 30.75 29.69 2.9075 0 2 0 30.98 36.23 2.8869 -4 0 2 31.45 2.00 2.8443 1 2 0 32.18 1.29 2.7816 0 2 1 32.29 38.83 2.7725 -1 1 3 32.71 11.33 2.7374 -1 2 1 32.99 5.40 2.7148 1 2 1 33.08 5.93 2.7078 -3 0 3 33.13 28.56 2.7038 1 1 3 33.33 2.65 2.6885 -5 0 1 33.48 5.46 2.6767 2 2 0 34.69 3.08 2.5863 5 0 1 34.69 2.87 2.5858 -4 1 2 35.51 4.18 2.5281 3 0 3 36.16 1.22 2.4838 0 2 2 36.83 2.87 2.4403 -5 1 1 37.03 1.52 2.4279 1 2 2 37.49 5.66 2.3989 -3 2 1 38.06 5.33 2.3642 -2 2 2 39.01 7.50 2.3091 -2 0 4 39.04 32.80 2.3074 2 2 2 39.43 3.93 2.2852 6 0 0 40.68 1.25 2.2180 -3 2 2 40.69 2.77 2.2173 4 2 0 40.83 2.32 2.2099 0 1 4 40.90 1.22 2.2065 2 0 4 42.28 1.90 2.1378 -1 2 3 42.59 1.83 2.1228 -6 0 2 42.95 1.53 2.1058 1 2 3 43.89 7.77 2.0630 2 1 4 44.21 15.99 2.0486 -4 2 2 44.80 13.04 2.0229 -5 1 3 45.22 5.45 2.0053 6 0 2 45.93 1.08 1.9760 4 2 2 45.98 8.82 1.9739 -5 2 1 47.95 8.59 1.8972 5 1 3 47.98 10.32 1.8961 4 0 4 47.99 5.65 1.8958 6 1 2 48.09 6.42 1.8919 7 0 1 48.27 4.77 1.8854 -1 3 1 48.57 1.05 1.8743 1 0 5 48.83 1.05 1.8652 2 3 0 49.36 14.88 1.8463 -7 1 1 49.61 1.32 1.8376 -2 3 1 50.39 1.19 1.8110 -3 0 5 50.47 8.81 1.8082 -2 2 4 50.82 5.15 1.7967 6 2 0 50.83 1.38 1.7962 0 3 2 51.21 3.42 1.7840 1 1 5 52.03 4.90 1.7577 2 2 4 52.30 3.12 1.7493 -2 3 2 52.43 8.86 1.7452 3 3 1 52.84 1.79 1.7327 -5 2 3 52.95 9.74 1.7291 -3 1 5 53.42 1.38 1.7152 -6 0 4 54.38 3.13 1.6873 4 3 0 55.49 1.16 1.6559 0 3 3 55.63 2.53 1.6521 -8 0 2 55.65 2.03 1.6517 5 2 3 55.66 5.32 1.6514 -1 3 3 55.68 6.14 1.6508 6 2 2 55.89 2.73 1.6451 -6 1 4 55.93 1.63 1.6440 8 1 0 56.21 3.00 1.6365 1 3 3 57.90 6.26 1.5927 0 0 6 58.04 2.94 1.5892 -8 1 2 58.08 2.53 1.5882 4 2 4 58.18 2.10 1.5857 7 2 1 58.60 3.17 1.5754 1 2 5 62.48 1.23 1.4865 -4 0 6 62.91 5.20 1.4773 -6 2 4 63.93 1.83 1.4562 2 3 4 64.05 4.47 1.4538 0 4 0 64.56 1.30 1.4435 -8 0 4 64.64 2.35 1.4419 -5 3 3 64.67 1.62 1.4413 9 1 1 64.73 1.47 1.4402 -4 1 6 65.72 1.23 1.4208 -7 0 5 66.99 4.73 1.3969 0 2 6 67.14 2.38 1.3943 5 3 3 67.17 1.36 1.3937 6 3 2 68.20 1.25 1.3751 -9 1 3 68.28 3.95 1.3737 -7 3 1 68.42 1.03 1.3711 10 0 0 68.70 2.18 1.3663 4 1 6 69.95 1.77 1.3449 5 2 5 70.73 1.23 1.3320 -1 1 7 71.26 2.95 1.3233 -3 3 5 71.45 1.13 1.3203 -1 4 3 71.97 1.99 1.3121 8 1 4 72.55 1.08 1.3029 9 1 3 72.85 2.83 1.2984 -4 4 2 73.55 2.45 1.2878 7 1 5 74.58 1.64 1.2725 -9 2 3 75.28 1.32 1.2623 10 1 2 75.97 2.29 1.2525 3 1 7 76.32 1.16 1.2478 -11 0 1 76.87 3.16 1.2401 10 2 0 77.82 1.04 1.2274 -6 2 6 78.79 1.55 1.2146 9 2 3 83.37 1.03 1.1592 6 2 6 83.78 1.13 1.1545 -4 0 8 83.86 1.72 1.1537 4 4 4 83.95 1.20 1.1527 7 4 1 85.28 1.87 1.1380 -7 1 7 87.29 1.21 1.1170 3 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.