Bussyite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120059 Grice J D, Rowe R, Poirier G, Pratt A, Francis J The Canadian Mineralogists 47 (2009) 193-204 Bussyite-(Ce), a new beryllium silicate mineral species from Mont Saint-Hilaire, Quebec Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0006285 CELL PARAMETERS: 11.6630 13.9110 16.5770 90.000 95.981 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ce 0.14869 0.25501 0.39821 0.412 1.196 Nd 0.14869 0.25501 0.39821 0.187 1.196 Y 0.14869 0.25501 0.39821 0.121 1.196 Th 0.14869 0.25501 0.39821 0.087 1.196 Pr 0.14869 0.25501 0.39821 0.057 1.196 Sm 0.14869 0.25501 0.39821 0.040 1.196 Gd 0.14869 0.25501 0.39821 0.039 1.196 Eu 0.14869 0.25501 0.39821 0.004 1.196 Ca 0.00000 0.45863 0.25000 0.764 1.619 La 0.00000 0.45863 0.25000 0.236 1.619 Na 0.00000 0.73890 0.25000 0.550 2.985 Wa 0.00000 0.73890 0.25000 0.450 2.985 Na 0.16860 0.54350 0.40040 0.550 2.677 Wa 0.16860 0.54350 0.40040 0.450 2.677 Na 0.17250 0.98020 0.41240 0.550 3.577 Wa 0.17250 0.98020 0.41240 0.450 3.577 Na 0.18740 0.24690 -0.03820 0.250 4.469 Wa 0.18740 0.24690 -0.03820 0.450 4.469 Mn 0.00000 0.07534 0.25000 0.485 2.700 Na 0.00000 0.07534 0.25000 0.402 2.700 Mg 0.00000 0.07534 0.25000 0.012 2.700 Si 0.20532 0.90024 0.23466 1.000 2.179 Si 0.08150 0.10560 0.06150 0.463 1.216 Be 0.08150 0.10560 0.06150 0.537 1.208 Si 0.08092 0.60954 0.08162 1.000 2.211 Si 0.16350 0.25345 0.17442 1.000 1.855 Si 0.09190 0.88860 0.07360 0.640 1.121 Si 0.05210 0.81080 0.08730 0.209 2.053 Be 0.05210 0.81080 0.08730 0.151 2.053 Be 0.25230 0.60250 0.21910 0.940 0.790 Si 0.25230 0.60250 0.21910 0.060 0.790 Be 0.04790 0.40410 0.07800 0.960 1.421 Si 0.04790 0.40410 0.07800 0.040 1.421 O 0.31770 0.89540 0.18520 1.000 1.413 O 0.17940 0.00270 0.27200 1.000 1.579 O 0.08920 0.86870 0.17210 1.000 1.871 O 0.28100 0.31960 0.19060 1.000 1.816 O -0.02720 0.10840 0.11100 1.000 1.153 O 0.04480 0.12920 -0.03580 1.000 1.911 O 0.18060 0.18200 0.09870 1.000 1.879 O 0.14140 0.99960 0.06020 1.000 2.874 O -0.00530 0.69250 0.11380 1.000 3.316 O 0.21310 0.62500 0.12060 1.000 1.208 O 0.07130 0.61990 -0.01680 1.000 1.895 O 0.03200 0.50910 0.11320 1.000 1.690 O 0.05040 0.32200 0.15120 1.000 1.469 O 0.15470 0.19090 0.25570 1.000 1.026 O 0.32780 0.31090 0.46430 1.000 1.461 F 0.13900 0.60140 0.26560 1.000 2.937 F 0.16200 0.39900 0.03030 1.000 3.632 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 12 +/- 15 MAX. ABS. INTENSITY / VOLUME**2: 16.92685725 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.93 2.35 8.9088 1 1 0 10.90 100.00 8.1140 -1 1 1 11.66 2.31 7.5879 1 1 1 12.73 19.80 6.9555 0 2 0 14.04 1.65 6.3074 -1 1 2 16.68 5.88 5.3160 0 2 2 19.61 3.41 4.5266 2 0 2 19.65 8.08 4.5185 1 1 3 19.93 9.01 4.4544 2 2 0 20.60 1.42 4.3121 0 2 3 21.07 1.62 4.2161 2 2 1 21.12 15.41 4.2059 -1 3 1 21.56 4.02 4.1217 0 0 4 21.91 8.98 4.0570 -2 2 2 23.45 7.63 3.7939 2 2 2 23.68 1.02 3.7573 1 3 2 23.89 3.01 3.7253 3 1 0 24.70 1.00 3.6044 -2 2 3 25.03 21.59 3.5577 3 1 1 25.11 18.78 3.5459 0 2 4 25.23 1.42 3.5303 -3 1 2 25.61 1.05 3.4778 0 4 0 25.79 19.57 3.4548 -1 3 3 26.79 5.23 3.3274 1 3 3 27.54 13.57 3.2383 -3 1 3 28.09 18.89 3.1762 -1 1 5 28.30 8.18 3.1537 -2 2 4 29.41 1.06 3.0367 -1 3 4 29.63 4.81 3.0148 1 1 5 29.96 3.67 2.9826 2 4 0 30.15 22.48 2.9642 -3 3 1 30.31 7.73 2.9491 3 1 3 30.42 2.00 2.9387 0 4 3 30.71 7.59 2.9113 2 2 4 30.83 3.33 2.8999 4 0 0 31.02 31.40 2.8826 3 3 1 31.34 41.76 2.8540 -2 4 2 32.46 1.18 2.7579 -2 2 5 32.47 2.46 2.7578 2 4 2 32.59 21.39 2.7478 0 0 6 33.12 3.13 2.7047 -3 3 3 33.43 6.16 2.6802 -1 5 1 33.48 6.67 2.6766 4 2 0 33.59 19.33 2.6682 -1 3 5 33.70 1.95 2.6594 1 5 1 33.72 7.61 2.6580 0 4 4 33.82 15.85 2.6505 4 0 2 34.64 1.00 2.5898 -2 0 6 34.91 3.70 2.5703 1 3 5 35.96 5.22 2.4973 -4 0 4 36.22 2.54 2.4803 -2 4 4 37.04 2.75 2.4270 -2 2 6 37.66 2.27 2.3888 2 0 6 38.18 13.58 2.3571 2 4 4 38.22 3.15 2.3545 3 1 5 38.29 2.20 2.3504 -4 2 4 38.72 2.70 2.3257 -3 1 6 38.76 3.00 2.3234 -1 1 7 38.81 7.34 2.3201 4 2 3 38.84 5.09 2.3185 0 6 0 39.19 1.64 2.2990 -5 1 1 39.39 6.34 2.2874 -1 5 4 39.78 1.74 2.2658 -5 1 2 39.92 8.10 2.2583 3 5 0 40.35 1.88 2.2355 5 1 1 40.43 1.08 2.2310 -4 4 1 40.43 6.49 2.2308 0 2 7 40.50 3.02 2.2272 4 4 0 40.65 1.98 2.2193 3 5 1 41.35 1.79 2.1834 -4 2 5 41.90 2.58 2.1560 0 4 6 42.33 3.09 2.1350 -3 5 3 42.71 1.13 2.1169 -1 5 5 42.90 2.46 2.1080 4 4 2 43.01 3.03 2.1030 -2 6 2 43.06 1.08 2.1008 -1 3 7 43.34 1.49 2.0877 -3 1 7 43.45 8.41 2.0827 -5 3 1 43.57 2.15 2.0771 -2 4 6 43.80 3.06 2.0671 1 5 5 43.87 2.22 2.0636 2 6 2 44.28 2.19 2.0455 3 5 3 44.52 1.63 2.0351 5 3 1 44.61 1.01 2.0314 -2 6 3 44.67 8.74 2.0285 -4 4 4 45.13 4.22 2.0091 -2 0 8 45.89 1.77 1.9776 -5 1 5 46.60 2.62 1.9491 -1 7 1 46.80 1.95 1.9411 1 7 1 47.00 5.54 1.9333 6 0 0 47.08 1.02 1.9302 -2 2 8 47.30 9.99 1.9217 -3 3 7 47.71 3.02 1.9062 3 1 7 48.45 2.61 1.8786 2 6 4 48.90 1.08 1.8626 6 2 0 49.05 2.95 1.8574 -6 2 2 49.54 1.44 1.8400 6 0 2 49.69 8.56 1.8349 1 7 3 49.69 1.85 1.8348 -5 3 5 49.79 1.99 1.8313 4 2 6 50.02 1.75 1.8233 -1 1 9 50.25 1.92 1.8158 2 2 8 50.34 2.87 1.8125 3 5 5 50.39 1.74 1.8109 4 6 0 50.77 1.16 1.7982 -1 5 7 50.85 2.69 1.7955 5 1 5 51.41 11.17 1.7774 3 3 7 51.58 1.76 1.7720 0 6 6 51.75 2.69 1.7666 1 1 9 52.32 2.94 1.7486 3 7 1 52.43 1.49 1.7451 4 6 2 52.61 6.47 1.7396 -2 4 8 52.63 3.34 1.7389 0 8 0 53.44 1.23 1.7146 -4 2 8 53.48 1.90 1.7134 -3 1 9 53.71 1.22 1.7065 -3 7 3 53.96 7.35 1.6991 -4 6 4 54.03 5.33 1.6972 -1 7 5 54.29 7.45 1.6897 6 4 0 54.40 4.55 1.6866 5 3 5 54.43 1.46 1.6858 -6 4 2 55.12 1.51 1.6662 4 4 6 55.17 3.30 1.6649 -6 0 6 55.21 1.88 1.6637 2 6 6 55.25 4.74 1.6626 1 3 9 55.35 1.30 1.6597 3 7 3 55.54 1.31 1.6545 2 4 8 55.55 1.30 1.6543 -7 1 1 55.63 1.05 1.6523 2 8 1 56.20 2.49 1.6368 6 2 4 56.41 1.68 1.6312 -2 0 10 56.71 1.50 1.6232 2 8 2 56.71 1.19 1.6231 -7 1 3 56.73 2.29 1.6228 -5 5 5 56.80 2.09 1.6208 7 1 1 57.44 1.46 1.6042 0 2 10 57.50 2.16 1.6028 4 0 8 57.53 1.25 1.6021 0 8 4 58.54 1.15 1.5768 -4 4 8 60.02 2.30 1.5414 -7 3 3 61.06 1.24 1.5176 5 5 5 61.14 1.58 1.5157 6 4 4 61.51 1.37 1.5077 -5 1 9 61.76 1.70 1.5021 -4 0 10 61.78 2.98 1.5017 -6 4 6 61.85 1.11 1.5000 1 5 9 62.25 1.81 1.4913 4 8 0 62.33 1.06 1.4898 0 4 10 63.40 1.08 1.4670 -3 5 9 64.03 1.72 1.4541 -8 0 2 64.66 2.28 1.4415 -5 3 9 65.40 1.67 1.4270 -4 8 4 65.78 1.03 1.4196 -7 1 7 66.58 1.03 1.4046 -5 5 8 67.57 1.27 1.3863 -8 2 4 69.97 1.44 1.3445 3 1 11 70.13 1.53 1.3419 6 0 8 70.24 2.89 1.3401 -2 10 2 70.34 2.86 1.3384 5 7 5 71.08 2.43 1.3263 1 7 9 71.86 1.38 1.3138 5 3 9 74.26 2.95 1.2771 4 4 10 74.33 3.84 1.2761 2 10 4 74.80 1.10 1.2693 9 1 1 76.25 1.54 1.2487 -8 0 8 77.69 1.49 1.2290 9 3 1 77.70 1.20 1.2290 5 5 9 78.49 1.70 1.2186 7 7 3 78.74 1.26 1.2153 -4 10 4 79.50 1.48 1.2056 -5 7 9 79.82 1.57 1.2016 -3 3 13 79.90 1.96 1.2005 -1 7 11 87.29 1.26 1.1169 -6 4 12 89.05 1.02 1.0994 -8 6 8 89.99 1.10 1.0903 -10 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.