Schuilingite-(Nd) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100063 Schindler M, Hawthorne F C The Canadian Mineralogist 37 (1999) 1463-1470 The crystal structure of schuilingite-(Nd) _database_code_amcsd 0005636 CELL PARAMETERS: 7.3660 18.7110 6.3470 90.000 90.000 90.000 SPACE GROUP: P2_1cn ATOM X Y Z OCCUPANCY ISO(B) Pb 0.50000 0.86016 0.38200 1.000 1.248 Nd 0.00110 0.69205 0.10200 0.240 7.580 Y 0.00110 0.69205 0.10200 0.160 7.580 La 0.00110 0.69205 0.10200 0.040 7.580 Pr 0.00110 0.69205 0.10200 0.030 7.580 Sm 0.00110 0.69205 0.10200 0.120 7.580 Eu 0.00110 0.69205 0.10200 0.060 7.580 Gd 0.00110 0.69205 0.10200 0.180 7.580 Tb 0.00110 0.69205 0.10200 0.020 7.580 Dy 0.00110 0.69205 0.10200 0.130 7.580 Er 0.00110 0.69205 0.10200 0.030 7.580 Yb 0.00110 0.69205 0.10200 0.010 7.580 Cu 0.29340 0.55870 0.31150 0.920 1.311 C 0.15900 0.84000 0.10800 1.000 1.421 C 0.67000 0.78300 0.82300 1.000 1.184 C -0.06700 0.54200 0.01200 1.000 1.026 O 0.25100 0.89550 0.08200 1.000 1.421 O 0.04700 0.81720 -0.02600 1.000 1.342 O 0.18600 0.80380 0.27600 1.000 1.421 O 0.69700 0.84010 0.72000 1.000 1.105 O 0.52300 0.77200 0.91900 1.000 1.579 O 0.79600 0.73460 0.81900 1.000 1.184 O 0.00800 0.55390 0.19100 1.000 1.816 O -0.09500 0.59440 -0.11500 1.000 1.658 O -0.09800 0.47700 -0.05100 1.000 2.132 OH 0.30400 0.65170 0.16600 1.000 0.947 Wa 0.29400 0.03300 0.95500 1.000 2.211 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 17 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 30.60774980 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.45 83.84 9.3555 0 2 0 12.92 4.49 6.8540 1 1 0 14.74 67.19 6.0106 0 1 1 16.88 3.21 5.2523 0 2 1 18.64 65.14 4.7599 1 3 0 18.97 28.87 4.6778 0 4 0 19.06 58.83 4.6569 1 1 1 19.96 99.88 4.4486 0 3 1 20.77 27.85 4.2765 1 2 1 23.36 100.00 3.8080 1 3 1 23.63 1.07 3.7656 0 4 1 24.16 45.65 3.6830 2 0 0 26.00 39.07 3.4270 2 2 0 26.59 1.18 3.3529 1 4 1 26.72 28.56 3.3363 1 5 0 27.67 1.46 3.2236 0 5 1 28.42 74.14 3.1403 2 1 1 28.53 5.46 3.1288 0 1 2 28.62 12.22 3.1185 0 6 0 29.62 23.12 3.0155 2 2 1 30.26 1.89 2.9532 1 5 1 30.68 88.75 2.9145 1 0 2 30.90 20.04 2.8937 2 4 0 31.05 1.30 2.8798 1 1 2 31.54 38.58 2.8369 2 3 1 31.63 12.14 2.8284 0 3 2 31.98 37.79 2.7989 0 6 1 32.17 25.06 2.7826 1 2 2 33.95 3.26 2.6405 1 3 2 34.05 3.62 2.6330 2 4 1 34.27 54.27 2.6164 1 6 1 35.73 11.15 2.5127 1 7 0 36.32 24.90 2.4737 1 4 2 36.47 8.57 2.4635 0 7 1 36.92 1.03 2.4345 3 1 0 37.15 4.41 2.4204 0 5 2 37.41 7.34 2.4041 2 0 2 37.73 4.57 2.3845 2 1 2 37.80 15.76 2.3799 2 6 0 38.54 12.21 2.3363 1 7 1 38.67 2.68 2.3285 2 2 2 39.18 2.56 2.2994 1 5 2 39.44 4.04 2.2847 3 3 0 39.65 30.51 2.2730 3 1 1 40.20 13.56 2.2432 2 3 2 40.48 21.65 2.2284 2 6 1 40.56 1.17 2.2243 0 6 2 40.56 5.60 2.2243 3 2 1 42.03 25.02 2.1496 3 3 1 42.45 13.97 2.1293 1 6 2 43.00 16.58 2.1032 1 8 1 43.03 1.64 2.1023 0 1 3 43.87 6.32 2.0636 0 2 3 44.11 9.87 2.0529 3 5 0 44.23 4.98 2.0476 2 7 1 44.31 4.89 2.0444 0 7 2 44.81 29.42 2.0227 2 5 2 44.83 7.65 2.0216 1 1 3 45.26 10.30 2.0035 0 3 3 45.32 28.34 2.0008 1 9 0 45.66 3.25 1.9871 1 2 3 45.97 1.79 1.9744 2 8 0 46.08 2.31 1.9700 1 7 2 46.78 20.46 1.9420 3 0 2 47.00 25.63 1.9333 1 3 3 47.15 1.81 1.9277 0 4 3 47.66 1.35 1.9083 1 9 1 47.84 9.25 1.9014 3 2 2 48.27 8.51 1.8853 2 8 1 48.66 2.64 1.8711 0 10 0 48.84 2.82 1.8649 1 4 3 49.14 2.30 1.8542 3 3 2 49.37 13.85 1.8458 3 6 1 49.50 12.89 1.8415 4 0 0 49.95 6.14 1.8258 2 1 3 50.00 2.55 1.8241 1 8 2 50.47 4.20 1.8082 3 7 0 50.51 1.73 1.8068 4 2 0 50.71 1.61 1.8002 2 2 3 50.88 3.61 1.7947 0 10 1 50.91 11.72 1.7935 3 4 2 51.10 5.23 1.7875 2 7 2 51.93 3.30 1.7607 4 1 1 51.96 4.50 1.7600 2 3 3 52.25 7.94 1.7508 0 6 3 52.48 4.52 1.7437 1 10 1 52.63 9.10 1.7391 0 9 2 52.63 1.84 1.7390 3 7 1 52.67 2.35 1.7378 4 2 1 53.48 4.68 1.7135 4 4 0 53.82 9.07 1.7033 1 6 3 53.88 12.42 1.7015 4 3 1 55.38 3.11 1.6589 0 7 3 55.44 1.83 1.6574 1 11 0 55.76 6.56 1.6485 3 6 2 55.97 1.05 1.6430 0 11 1 56.22 2.06 1.6363 3 8 1 56.89 3.90 1.6184 1 7 3 57.09 1.06 1.6134 2 10 1 57.47 2.77 1.6036 1 11 1 57.73 3.45 1.5969 3 1 3 58.12 2.13 1.5870 4 1 2 58.14 3.78 1.5868 0 0 4 58.14 9.79 1.5866 3 9 0 58.18 1.83 1.5857 4 6 0 58.36 10.62 1.5812 2 6 3 58.42 3.23 1.5797 3 2 3 58.63 4.23 1.5745 1 10 2 58.71 18.36 1.5726 2 9 2 58.81 1.04 1.5702 4 2 2 58.86 2.42 1.5690 0 8 3 59.26 1.00 1.5592 0 12 0 59.55 7.69 1.5523 3 3 3 59.83 2.52 1.5459 1 1 4 59.94 2.64 1.5432 4 3 2 60.11 1.49 1.5393 3 9 1 60.15 6.66 1.5384 4 6 1 60.31 2.06 1.5346 1 8 3 60.50 1.52 1.5303 1 2 4 61.61 2.37 1.5053 1 3 4 61.73 3.90 1.5027 0 4 4 61.83 2.72 1.5005 2 11 1 61.89 1.25 1.4992 0 11 2 62.13 2.93 1.4941 3 8 2 62.63 4.28 1.4832 1 12 1 63.02 3.29 1.4749 4 7 1 63.33 1.32 1.4687 5 1 0 63.48 4.68 1.4655 4 5 2 63.70 1.15 1.4609 0 5 4 63.88 5.53 1.4573 2 0 4 64.29 1.29 1.4489 3 10 1 64.56 2.03 1.4435 2 8 3 64.74 1.07 1.4399 2 2 4 65.05 2.63 1.4337 5 3 0 65.09 4.56 1.4329 1 5 4 65.48 1.17 1.4255 3 6 3 65.84 2.08 1.4185 5 2 1 66.15 3.45 1.4126 1 13 0 66.25 1.17 1.4107 4 8 1 66.80 6.41 1.4005 2 12 1 66.90 2.62 1.3985 5 3 1 67.30 4.29 1.3913 2 4 4 67.63 1.06 1.3852 4 1 3 68.10 1.19 1.3769 1 10 3 68.21 2.32 1.3749 1 12 2 68.23 3.66 1.3746 3 7 3 68.26 2.44 1.3740 4 2 3 68.44 1.97 1.3708 5 5 0 68.74 3.03 1.3655 3 11 1 69.31 2.43 1.3558 4 3 3 69.80 1.38 1.3474 3 10 2 70.47 5.95 1.3362 5 0 2 70.89 1.76 1.3293 3 1 4 71.45 1.94 1.3202 2 6 4 71.94 1.57 1.3125 4 10 0 72.05 3.01 1.3108 0 13 2 72.10 1.46 1.3099 2 10 3 72.44 1.31 1.3047 1 11 3 72.51 4.01 1.3036 5 6 1 72.53 1.61 1.3033 3 3 4 73.47 3.29 1.2888 3 12 1 73.71 1.83 1.2853 4 10 1 73.74 2.88 1.2848 5 4 2 74.83 2.94 1.2688 4 6 3 74.99 1.13 1.2665 0 1 5 75.14 6.75 1.2644 4 9 2 75.14 2.37 1.2644 5 7 1 75.70 1.20 1.2563 2 14 0 75.77 3.27 1.2554 3 5 4 75.79 2.04 1.2552 0 12 3 76.35 1.22 1.2473 2 11 3 76.60 1.09 1.2439 0 3 5 76.64 5.48 1.2433 1 9 4 76.89 1.86 1.2399 1 2 5 77.08 1.63 1.2374 1 12 3 77.12 1.03 1.2368 2 8 4 77.26 1.54 1.2349 2 13 2 77.43 1.62 1.2325 4 7 3 77.63 1.53 1.2299 1 15 0 77.80 1.65 1.2277 6 0 0 77.93 1.24 1.2260 4 11 1 78.14 1.42 1.2232 5 8 1 78.78 3.16 1.2149 1 14 2 79.36 1.71 1.2074 1 15 1 79.43 1.73 1.2065 5 1 3 79.78 2.18 1.2021 4 0 4 79.79 2.12 1.2020 5 9 0 80.41 1.50 1.1943 4 8 3 80.73 1.54 1.1904 2 2 5 80.91 2.32 1.1881 2 12 3 80.97 1.16 1.1875 6 4 0 81.01 2.75 1.1869 5 3 3 81.30 2.39 1.1834 6 3 1 81.71 4.49 1.1785 2 3 5 82.93 2.21 1.1642 4 4 4 83.17 1.57 1.1615 2 15 1 83.21 1.87 1.1610 1 6 5 84.22 1.14 1.1497 2 10 4 84.84 1.02 1.1428 6 1 2 85.44 1.62 1.1363 1 16 1 86.30 2.41 1.1272 5 6 3 86.58 1.22 1.1243 6 6 1 86.80 3.55 1.1220 3 9 4 87.23 1.43 1.1176 3 12 3 88.26 1.93 1.1072 2 15 2 88.67 1.24 1.1031 1 8 5 88.89 1.88 1.1010 3 14 2 89.11 1.11 1.0988 6 7 1 89.21 1.02 1.0978 2 16 1 89.46 1.30 1.0954 3 15 1 89.52 1.74 1.0949 6 5 2 89.52 2.40 1.0948 2 7 5 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.