Nioboaeschynite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110056 Bonazzi P, Menchetti S European Journal of Mineralogy 11 (1999) 1043-1049 Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: TR1 Locality: western Alps _database_code_amcsd 0006807 CELL PARAMETERS: 11.0870 7.5730 5.3750 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Y 0.45030 0.25000 0.03330 0.639 1.184 Ce 0.45030 0.25000 0.03330 0.005 1.184 Pr 0.45030 0.25000 0.03330 0.001 1.184 Nd 0.45030 0.25000 0.03330 0.011 1.184 Sm 0.45030 0.25000 0.03330 0.010 1.184 Gd 0.45030 0.25000 0.03330 0.068 1.184 Dy 0.45030 0.25000 0.03330 0.065 1.184 Er 0.45030 0.25000 0.03330 0.034 1.184 Yb 0.45030 0.25000 0.03330 0.025 1.184 Th 0.45030 0.25000 0.03330 0.060 1.184 U 0.45030 0.25000 0.03330 0.004 1.184 Ca 0.45030 0.25000 0.03330 0.010 1.184 Ti 0.35930 0.51370 0.54460 0.975 1.611 Nb 0.35930 0.51370 0.54460 0.025 1.611 W 0.17700 0.25000 0.60300 0.030 1.816 O 0.28680 0.43540 0.87780 1.000 1.895 O 0.52620 0.45680 0.73730 1.000 1.974 O 0.61900 0.25000 0.31140 1.000 1.895 O 0.35060 0.25000 0.43610 1.000 1.816 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: 41.86798697 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 15.99 21.32 5.5435 2 0 0 18.34 6.29 4.8366 1 0 1 19.85 18.73 4.4731 2 1 0 20.26 4.30 4.3832 0 1 1 21.80 14.15 4.0762 1 1 1 23.05 2.09 3.8589 2 0 1 25.91 2.40 3.4383 2 1 1 28.55 23.07 3.1267 2 2 0 29.33 50.81 3.0453 3 0 1 29.97 100.00 2.9815 1 2 1 31.67 27.73 2.8254 3 1 1 32.30 1.59 2.7717 4 0 0 33.15 3.30 2.7027 2 2 1 33.34 19.85 2.6875 0 0 2 34.46 11.08 2.6029 4 1 0 36.39 1.10 2.4691 1 1 2 36.47 4.88 2.4635 4 0 1 37.18 1.03 2.4183 2 0 2 38.43 1.52 2.3427 4 1 1 39.10 12.21 2.3037 2 1 2 39.21 6.37 2.2974 2 3 0 39.44 6.22 2.2849 0 3 1 40.33 3.27 2.2366 4 2 0 41.19 2.05 2.1916 0 2 2 41.55 6.46 2.1736 3 0 2 43.31 5.88 2.0892 3 1 2 44.18 2.11 2.0498 5 0 1 44.45 19.59 2.0381 2 2 2 45.86 17.98 1.9786 5 1 1 46.74 10.18 1.9434 3 3 1 47.10 2.27 1.9294 4 0 2 48.06 16.65 1.8932 0 4 0 48.70 10.61 1.8697 4 1 2 48.80 8.22 1.8663 4 3 0 50.27 1.38 1.8151 1 3 2 50.86 6.60 1.7952 6 1 0 50.97 2.90 1.7916 2 4 0 51.68 1.27 1.7687 1 0 3 51.86 1.34 1.7630 1 4 1 52.36 1.37 1.7475 6 0 1 52.39 6.68 1.7463 2 3 2 52.48 2.15 1.7435 0 1 3 53.29 11.62 1.7191 4 2 2 55.23 2.85 1.6632 2 1 3 55.32 2.17 1.6606 6 2 0 57.13 4.57 1.6122 3 0 3 57.30 13.04 1.6079 3 4 1 57.51 9.49 1.6025 1 2 3 57.96 10.46 1.5913 5 3 1 58.54 2.62 1.5769 3 1 3 59.28 5.44 1.5587 5 2 2 59.46 9.85 1.5545 2 2 3 59.75 6.92 1.5478 0 4 2 60.38 2.94 1.5329 4 3 2 60.39 1.40 1.5329 1 4 2 60.99 7.90 1.5193 7 0 1 61.64 1.38 1.5047 4 0 3 62.19 3.99 1.4928 6 1 2 62.27 1.52 1.4910 6 3 0 62.28 1.31 1.4907 2 4 2 62.33 2.70 1.4896 7 1 1 64.47 1.76 1.4454 1 5 1 65.37 1.28 1.4276 3 4 2 68.45 2.67 1.3706 5 1 3 69.29 2.76 1.3561 3 5 1 70.90 1.08 1.3291 4 5 0 71.86 1.46 1.3138 1 1 4 72.36 1.23 1.3059 2 0 4 72.63 1.62 1.3017 7 3 1 72.65 2.55 1.3014 8 2 0 75.24 1.04 1.2629 3 0 4 76.69 1.26 1.2427 3 5 2 77.81 2.13 1.2275 3 4 3 78.28 4.25 1.2213 1 6 1 78.38 2.95 1.2200 5 3 3 78.52 1.82 1.2181 5 5 1 78.78 1.60 1.2148 8 3 0 80.64 2.61 1.1914 4 5 2 81.17 4.00 1.1849 7 4 1 81.63 1.66 1.1794 1 3 4 82.23 1.16 1.1724 7 1 3 82.31 1.68 1.1714 6 5 0 82.32 3.03 1.1713 8 2 2 84.68 2.39 1.1446 9 2 1 87.10 1.20 1.1189 2 6 2 88.11 1.09 1.1087 10 0 0 89.02 3.68 1.0997 5 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.