Vigezzite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060584 Giuseppetti G, Tadini P Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 301-308 The crystal structure of vigezzite, (Ca,Ce)(Nb,Ta,Ti)2O6, intermediate term of the aeschynite series Locality: Vigezzo Valley, Novara, Italy _database_code_amcsd 0014844 CELL PARAMETERS: 11.1290 7.5750 5.3683 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Ca 0.45650 0.25000 0.03910 0.750 0.940 Ce 0.45650 0.25000 0.03910 0.250 0.940 Nb 0.35870 0.50610 0.53820 0.475 0.950 Ta 0.35870 0.50610 0.53820 0.315 0.950 Ti 0.35870 0.50610 0.53820 0.210 0.950 O 0.28750 0.43900 0.87220 1.000 1.090 O 0.52510 0.45830 0.73000 1.000 1.020 O 0.62230 0.25000 0.33450 1.000 1.070 O 0.35450 0.25000 0.44850 1.000 1.050 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 6 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 67.29792720 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.35 42.44 4.8352 1 0 1 19.80 3.69 4.4846 2 1 0 20.28 1.75 4.3799 0 1 1 21.81 4.66 4.0757 1 1 1 23.02 8.85 3.8635 2 0 1 23.49 44.96 3.7875 0 2 0 28.51 14.52 3.1310 2 2 0 29.26 91.53 3.0519 3 0 1 29.97 100.00 2.9816 1 2 1 31.61 5.17 2.8308 3 1 1 32.17 15.82 2.7822 4 0 0 33.12 5.71 2.7046 2 2 1 33.38 29.21 2.6841 0 0 2 34.34 1.44 2.6117 4 1 0 34.37 3.37 2.6093 1 0 2 36.37 4.32 2.4702 4 0 1 37.86 21.16 2.3764 3 2 1 39.11 2.86 2.3031 2 1 2 39.18 1.94 2.2993 2 3 0 39.44 3.58 2.2849 0 3 1 40.22 18.89 2.2423 4 2 0 40.30 1.06 2.2382 1 3 1 41.22 7.22 2.1900 0 2 2 41.53 5.55 2.1746 3 0 2 42.05 2.53 2.1488 1 2 2 43.29 2.73 2.0902 3 1 2 43.75 1.52 2.0690 4 2 1 44.04 4.60 2.0561 5 0 1 44.46 11.50 2.0378 2 2 2 45.72 3.86 1.9843 5 1 1 46.69 1.85 1.9455 3 3 1 47.04 13.54 1.9317 4 0 2 48.04 20.64 1.8937 0 4 0 48.64 2.01 1.8718 4 1 2 48.70 1.88 1.8698 4 3 0 49.12 3.74 1.8548 6 0 0 50.51 1.58 1.8070 5 2 1 50.67 2.00 1.8016 6 1 0 51.85 4.88 1.7633 1 4 1 52.17 1.44 1.7531 6 0 1 52.40 2.30 1.7462 2 3 2 52.55 1.02 1.7415 0 1 3 53.23 27.10 1.7208 4 2 2 53.48 1.93 1.7134 5 0 2 53.81 4.27 1.7035 2 0 3 53.92 1.15 1.7005 2 4 1 55.13 4.43 1.6658 6 2 0 57.15 8.62 1.6117 3 0 3 57.25 25.84 1.6091 3 4 1 57.57 9.47 1.6011 1 2 3 57.83 2.90 1.5944 5 3 1 59.00 6.71 1.5655 4 4 0 59.19 7.43 1.5611 5 2 2 59.50 13.22 1.5536 2 2 3 59.76 10.83 1.5474 0 4 2 60.40 2.70 1.5326 1 4 2 60.69 1.88 1.5259 6 0 2 60.76 12.90 1.5244 7 0 1 61.62 1.36 1.5050 4 0 3 62.64 5.70 1.4830 3 2 3 64.45 1.01 1.4457 1 5 1 65.34 1.44 1.4281 3 4 2 66.00 2.52 1.4154 6 2 2 66.07 9.77 1.4142 7 2 1 67.21 1.42 1.3929 5 4 1 67.31 1.11 1.3911 8 0 0 69.51 6.08 1.3523 4 4 2 70.12 1.31 1.3421 0 0 4 70.70 2.13 1.3324 1 0 4 71.15 1.90 1.3251 6 4 0 72.37 2.82 1.3058 8 2 0 73.54 1.37 1.2878 6 0 3 74.99 2.29 1.2665 2 4 3 75.30 1.10 1.2620 3 0 4 75.66 3.53 1.2569 1 2 4 77.82 4.99 1.2274 3 4 3 78.26 5.00 1.2215 1 6 1 78.32 1.12 1.2208 5 3 3 80.88 1.78 1.1885 7 0 3 80.90 1.62 1.1882 6 4 2 80.96 8.37 1.1875 7 4 1 82.07 3.39 1.1742 8 2 2 82.72 2.49 1.1666 3 6 1 84.05 2.10 1.1516 4 2 4 84.22 2.82 1.1497 4 6 0 84.88 1.09 1.1424 0 6 2 85.66 2.19 1.1340 7 2 3 86.88 1.00 1.1211 8 4 0 87.69 1.58 1.1129 10 0 0 89.01 5.78 1.0998 5 2 4 89.51 1.43 1.0950 0 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.