Calderonite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060427 Gonzalez del Tanago J, La Iglesia A, Rius J, Santin S F American Mineralogist 88 (2003) 1703-1708 Calderonite, a new lead-iron-vanadate of the brackebuschite group CELL PARAMETERS: 7.6200 6.0800 8.8800 90.000 112.160 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) V 0.55870 0.75000 0.82500 0.977 0.790 V 0.96010 0.75000 0.66210 0.935 0.790 Fe 0.00000 0.00000 0.00000 1.000 0.790 Pb -0.26140 0.75000 0.25540 0.979 1.895 Pb 0.32270 0.75000 0.39700 0.958 2.527 O 0.49230 0.97830 0.70610 1.000 1.895 O 0.45250 0.75000 0.95560 1.000 3.158 O 0.80840 0.75000 0.94310 1.000 1.421 O 0.72990 0.75000 0.54490 1.000 2.842 O -0.01060 0.01670 0.21930 1.000 1.579 O 0.07600 0.75000 0.53520 1.000 2.290 OH 0.18550 0.75000 0.08100 1.000 1.184 X-RAY WAVELENGTHS: 1.540562 1.544390 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 93.13554732 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.75 / 10.78 15.65 / 7.82 8.2241 0 0 1 13.08 / 13.11 1.17 / 0.58 6.7626 -1 0 1 18.13 / 18.18 53.74 / 26.87 4.8890 0 1 1 19.25 / 19.30 4.09 / 2.05 4.6063 1 1 0 19.40 / 19.45 10.19 / 5.09 4.5709 1 0 1 19.62 / 19.67 4.00 / 2.00 4.5213 -1 1 1 20.47 / 20.52 2.19 / 1.10 4.3346 -1 0 2 21.59 / 21.65 7.31 / 3.65 4.1120 0 0 2 23.37 / 23.42 2.48 / 1.24 3.8040 -2 0 1 24.34 / 24.40 20.25 / 10.12 3.6536 1 1 1 25.21 / 25.28 3.43 / 1.71 3.5295 -1 1 2 25.22 / 25.28 3.94 / 1.97 3.5286 2 0 0 26.14 / 26.21 17.58 / 8.79 3.4062 0 1 2 26.34 / 26.40 14.22 / 7.11 3.3813 -2 0 2 27.64 / 27.71 100.00 / 50.00 3.2249 -2 1 1 28.94 / 29.01 7.58 / 3.79 3.0829 1 0 2 29.24 / 29.31 4.06 / 2.03 3.0519 2 1 0 29.36 / 29.43 38.53 / 19.27 3.0400 0 2 0 30.17 / 30.25 36.89 / 18.44 2.9598 -1 0 3 30.22 / 30.30 13.39 / 6.70 2.9551 -2 1 2 31.10 / 31.18 7.63 / 3.82 2.8736 2 0 1 31.35 / 31.42 13.56 / 6.78 2.8514 0 2 1 32.03 / 32.11 6.85 / 3.43 2.7920 1 2 0 32.26 / 32.34 4.34 / 2.17 2.7727 -1 2 1 32.54 / 32.62 53.01 / 26.51 2.7496 1 1 2 32.64 / 32.72 3.27 / 1.63 2.7414 0 0 3 32.93 / 33.01 2.21 / 1.11 2.7177 -2 0 3 33.65 / 33.74 3.74 / 1.87 2.6612 -1 1 3 34.49 / 34.58 12.44 / 6.22 2.5981 2 1 1 36.06 / 36.15 7.28 / 3.64 2.4889 -1 2 2 36.17 / 36.27 10.70 / 5.35 2.4811 -2 1 3 36.73 / 36.83 4.03 / 2.01 2.4445 0 2 2 38.23 / 38.33 6.59 / 3.30 2.3524 3 0 0 38.54 / 38.64 3.39 / 1.69 2.3341 -3 1 1 39.08 / 39.18 23.42 / 11.71 2.3031 2 2 0 39.47 / 39.57 8.53 / 4.26 2.2813 1 0 3 39.84 / 39.95 8.74 / 4.37 2.2607 -2 2 2 39.96 / 40.07 1.42 / 0.71 2.2542 -3 0 3 41.11 / 41.22 2.15 / 1.07 2.1939 3 1 0 41.64 / 41.75 1.59 / 0.79 2.1673 -2 0 4 42.60 / 42.71 21.14 / 10.57 2.1207 -1 2 3 42.75 / 42.86 1.65 / 0.82 2.1136 -3 1 3 43.29 / 43.40 1.05 / 0.53 2.0883 2 2 1 43.53 / 43.64 12.48 / 6.24 2.0775 -1 1 4 43.80 / 43.92 7.56 / 3.78 2.0651 3 0 1 44.34 / 44.45 2.16 / 1.08 2.0415 -2 1 4 44.69 / 44.81 7.63 / 3.82 2.0261 -2 2 3 46.09 / 46.21 5.67 / 2.83 1.9678 0 3 1 46.40 / 46.52 2.13 / 1.07 1.9554 3 1 1 47.78 / 47.91 9.51 / 4.76 1.9020 -4 0 2 48.87 / 49.00 13.19 / 6.59 1.8623 -3 1 4 48.92 / 49.05 1.77 / 0.88 1.8604 3 2 0 49.13 / 49.26 2.63 / 1.32 1.8527 1 3 1 49.76 / 49.89 3.59 / 1.79 1.8308 -4 0 3 49.94 / 50.07 9.67 / 4.84 1.8247 1 2 3 50.14 / 50.27 2.53 / 1.26 1.8179 0 3 2 50.35 / 50.49 2.72 / 1.36 1.8107 -3 2 3 50.67 / 50.81 1.72 / 0.86 1.8000 1 0 4 50.89 / 51.03 4.12 / 2.06 1.7929 -4 1 1 51.02 / 51.15 13.70 / 6.85 1.7887 -2 3 1 51.04 / 51.18 1.26 / 0.63 1.7878 -1 2 4 51.77 / 51.91 3.09 / 1.54 1.7643 4 0 0 52.07 / 52.21 1.95 / 0.97 1.7549 -1 0 5 52.13 / 52.27 2.71 / 1.36 1.7530 -4 1 3 52.61 / 52.75 2.29 / 1.14 1.7383 -2 3 2 53.01 / 53.15 7.60 / 3.80 1.7260 1 1 4 53.61 / 53.75 16.16 / 8.08 1.7082 3 2 1 53.79 / 53.94 3.95 / 1.98 1.7028 3 1 2 54.11 / 54.26 10.89 / 5.45 1.6935 1 3 2 54.21 / 54.35 2.32 / 1.16 1.6907 -4 0 4 54.37 / 54.51 1.80 / 0.90 1.6861 -1 1 5 54.67 / 54.82 3.47 / 1.73 1.6775 -3 0 5 55.43 / 55.58 2.00 / 1.00 1.6562 2 3 1 55.84 / 55.99 1.31 / 0.66 1.6451 -3 2 4 55.85 / 56.00 1.07 / 0.54 1.6448 0 0 5 56.45 / 56.60 2.47 / 1.23 1.6289 -4 1 4 56.60 / 56.76 1.95 / 0.97 1.6247 -2 3 3 57.07 / 57.23 10.78 / 5.39 1.6124 -4 2 2 58.04 / 58.20 2.10 / 1.05 1.5877 0 1 5 58.83 / 58.99 1.19 / 0.59 1.5683 -4 2 3 60.74 / 60.90 2.98 / 1.49 1.5236 3 0 3 60.90 / 61.06 7.89 / 3.95 1.5200 0 4 0 60.90 / 61.07 7.86 / 3.93 1.5198 -1 2 5 62.06 / 62.24 1.06 / 0.53 1.4942 2 1 4 62.08 / 62.25 2.99 / 1.49 1.4938 -1 3 4 62.73 / 62.91 1.86 / 0.93 1.4799 -2 0 6 64.08 / 64.26 1.21 / 0.60 1.4519 -1 0 6 64.42 / 64.60 2.44 / 1.22 1.4452 -5 1 1 64.64 / 64.82 1.00 / 0.50 1.4408 1 1 5 66.36 / 66.54 4.64 / 2.32 1.4075 -3 3 4 66.45 / 66.64 3.59 / 1.79 1.4057 -3 1 6 67.51 / 67.70 1.59 / 0.80 1.3864 -2 4 2 68.04 / 68.23 1.67 / 0.83 1.3768 -4 3 1 68.15 / 68.34 3.75 / 1.87 1.3749 5 1 0 68.15 / 68.34 3.52 / 1.76 1.3748 2 2 4 68.87 / 69.07 2.85 / 1.43 1.3621 3 2 3 68.89 / 69.08 1.23 / 0.61 1.3619 -4 2 5 69.08 / 69.28 1.14 / 0.57 1.3585 -4 3 3 69.46 / 69.65 4.83 / 2.41 1.3521 -1 4 3 69.83 / 70.03 3.08 / 1.54 1.3458 1 3 4 70.49 / 70.69 1.32 / 0.66 1.3348 3 3 2 70.75 / 70.95 1.18 / 0.59 1.3306 -2 2 6 71.96 / 72.17 1.69 / 0.84 1.3111 5 0 1 72.35 / 72.56 1.00 / 0.50 1.3050 -3 2 6 73.76 / 73.97 1.10 / 0.55 1.2836 2 1 5 74.22 / 74.44 1.30 / 0.65 1.2767 3 4 0 75.03 / 75.25 1.38 / 0.69 1.2649 1 4 3 75.90 / 76.12 1.28 / 0.64 1.2526 4 1 3 76.12 / 76.34 1.52 / 0.76 1.2495 0 2 6 76.71 / 76.94 3.52 / 1.76 1.2413 -6 1 3 77.12 / 77.35 3.66 / 1.83 1.2357 -5 2 5 77.43 / 77.66 1.02 / 0.51 1.2316 -3 1 7 77.99 / 78.22 1.87 / 0.93 1.2241 3 4 1 78.27 / 78.50 1.26 / 0.63 1.2205 -5 1 6 78.49 / 78.72 1.38 / 0.69 1.2176 -6 1 4 79.92 / 80.16 1.07 / 0.54 1.1993 -5 3 1 80.89 / 81.13 2.51 / 1.26 1.1874 -4 4 2 81.50 / 81.75 1.48 / 0.74 1.1800 5 1 2 81.80 / 82.04 1.83 / 0.92 1.1765 -3 3 6 82.40 / 82.64 1.10 / 0.55 1.1695 -4 4 3 83.37 / 83.62 2.76 / 1.38 1.1583 -2 5 1 83.37 / 83.63 1.86 / 0.93 1.1582 5 3 0 83.79 / 84.04 2.83 / 1.41 1.1535 0 1 7 84.95 / 85.21 1.45 / 0.72 1.1407 2 0 6 85.84 / 86.10 1.79 / 0.89 1.1312 1 5 2 86.29 / 86.56 1.22 / 0.61 1.1264 -3 4 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.