Vauquelinite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060926 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 _database_code_amcsd 0010658 CELL PARAMETERS: 13.8210 5.8660 9.6320 90.000 94.480 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: 89.24169574 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.81 12.55 8.1837 -1 0 1 18.48 5.27 4.8013 0 0 2 18.61 55.30 4.7677 -1 1 1 19.88 11.37 4.4663 2 1 0 21.51 1.53 4.1305 -2 1 1 21.72 9.73 4.0919 -2 0 2 22.10 16.81 4.0229 3 0 1 23.40 12.40 3.8022 2 0 2 23.95 16.13 3.7154 0 1 2 25.79 4.87 3.4551 -3 1 1 25.86 8.53 3.4447 4 0 0 26.56 24.77 3.3560 -2 1 2 26.87 100.00 3.3176 3 1 1 28.12 13.68 3.1729 -1 0 3 29.13 10.83 3.0655 1 0 3 30.08 23.74 2.9704 4 1 0 30.48 30.06 2.9330 0 2 0 30.74 36.54 2.9085 -4 0 2 31.18 2.02 2.8687 1 2 0 31.90 1.30 2.8051 0 2 1 32.07 39.09 2.7908 -1 1 3 32.43 11.46 2.7610 -1 2 1 32.73 5.46 2.7365 1 2 1 32.83 5.98 2.7279 -3 0 3 32.97 28.60 2.7169 1 1 3 33.11 2.66 2.7055 -5 0 1 33.20 5.54 2.6986 2 2 0 34.42 2.89 2.6058 -4 1 2 34.56 3.07 2.5956 5 0 1 35.41 4.16 2.5348 3 0 3 35.88 1.24 2.5029 0 2 2 36.58 2.90 2.4568 -5 1 1 36.76 1.53 2.4452 1 2 2 37.17 5.73 2.4186 -3 2 1 37.74 5.39 2.3839 -2 2 2 37.97 1.00 2.3700 3 2 1 38.75 7.56 2.3241 -2 0 4 38.78 33.08 2.3223 2 2 2 39.23 3.94 2.2965 6 0 0 40.33 1.26 2.2364 -3 2 2 40.39 2.81 2.2332 4 2 0 40.61 2.33 2.2218 0 1 4 40.76 1.22 2.2139 2 0 4 41.95 1.92 2.1538 -1 2 3 42.28 1.85 2.1377 -6 0 2 42.66 1.54 2.1192 1 2 3 43.70 7.77 2.0713 2 1 4 43.84 16.26 2.0652 -4 2 2 44.44 13.23 2.0385 -5 1 3 45.07 5.44 2.0114 6 0 2 45.62 8.94 1.9886 -5 2 1 45.66 1.08 1.9868 4 2 2 47.79 8.58 1.9033 5 1 3 47.80 5.65 1.9027 6 1 2 47.83 4.87 1.9018 -1 3 1 47.85 10.28 1.9011 4 0 4 47.89 6.42 1.8993 7 0 1 48.36 1.06 1.8821 1 0 5 48.39 1.07 1.8810 2 3 0 49.03 15.03 1.8578 -7 1 1 49.16 1.35 1.8534 -2 3 1 50.03 1.20 1.8233 -3 0 5 50.08 8.94 1.8215 -2 2 4 50.39 1.41 1.8109 0 3 2 50.47 5.21 1.8082 6 2 0 50.96 3.44 1.7921 1 1 5 51.73 4.94 1.7670 2 2 4 51.82 3.18 1.7642 -2 3 2 52.00 9.00 1.7586 3 3 1 52.39 1.82 1.7466 -5 2 3 52.56 9.88 1.7411 -3 1 5 52.98 1.40 1.7283 -6 0 4 53.92 3.19 1.7005 4 3 0 55.03 1.18 1.6686 0 3 3 55.18 5.43 1.6646 -1 3 3 55.24 2.57 1.6630 -8 0 2 55.37 2.04 1.6592 5 2 3 55.39 6.18 1.6588 6 2 2 55.42 2.78 1.6578 -6 1 4 55.61 1.64 1.6526 8 1 0 55.76 3.05 1.6485 1 3 3 56.20 1.01 1.6367 -5 0 5 57.59 6.30 1.6004 0 0 6 57.61 2.99 1.5999 -8 1 2 57.79 2.54 1.5953 4 2 4 57.84 2.12 1.5943 7 2 1 58.25 3.20 1.5840 1 2 5 62.00 1.26 1.4968 -4 0 6 62.36 5.32 1.4890 -6 2 4 63.43 4.60 1.4665 0 4 0 63.47 1.86 1.4655 2 3 4 64.03 1.33 1.4543 -8 0 4 64.05 2.41 1.4538 -5 3 3 64.22 1.49 1.4503 -4 1 6 64.35 1.63 1.4476 9 1 1 65.16 1.25 1.4317 -7 0 5 66.56 4.79 1.4049 0 2 6 66.70 2.41 1.4023 5 3 3 66.71 1.37 1.4020 6 3 2 67.65 1.28 1.3848 -9 1 3 67.71 4.03 1.3838 -7 3 1 68.04 1.04 1.3779 10 0 0 68.44 2.18 1.3709 4 1 6 69.64 1.78 1.3502 5 2 5 70.28 1.24 1.3393 -1 1 7 70.64 3.02 1.3335 -3 3 5 70.78 1.16 1.3312 -1 4 3 71.72 1.99 1.3159 8 1 4 72.13 2.91 1.3095 -4 4 2 72.28 1.09 1.3072 9 1 3 73.30 2.45 1.2914 7 1 5 73.94 1.67 1.2818 -9 2 3 74.94 1.32 1.2672 10 1 2 74.97 1.01 1.2668 -8 3 2 75.64 2.30 1.2572 3 1 7 75.82 1.17 1.2547 -11 0 1 76.36 3.21 1.2471 10 2 0 77.12 1.06 1.2368 -6 2 6 78.42 1.56 1.2195 9 2 3 82.06 1.01 1.1744 -11 1 3 83.00 1.04 1.1634 6 2 6 83.12 1.15 1.1620 -4 0 8 83.20 1.74 1.1612 4 4 4 83.23 1.22 1.1608 7 4 1 84.50 1.91 1.1466 -7 1 7 86.39 1.24 1.1263 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.