Oneillite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R110184 Johnsen O, Grice J D The Canadian Mineralogist 37 (1999) 865-891 The crystal chemistry of the eudialyte group Locality: Mont Saint-Hilaire, Rouville County, Quebec, Canada Sample: #5 _database_code_amcsd 0005611 CELL PARAMETERS: 14.2530 14.2530 30.1660 90.000 90.000 120.000 SPACE GROUP: R3 ATOM X Y Z OCCUPANCY ISO(B) Mn 0.39370 0.06400 0.83280 0.920 0.947 Y 0.39370 0.06400 0.83280 0.080 0.947 Ca 0.42140 0.33280 0.83250 0.590 1.342 Ce 0.42140 0.33280 0.83250 0.100 1.342 La 0.42140 0.33280 0.83250 0.060 1.342 Nd 0.42140 0.33280 0.83250 0.030 1.342 Na 0.42140 0.33280 0.83250 0.220 1.342 Fe 0.17410 0.81080 0.83020 0.380 1.026 Mn 0.17410 0.81080 0.83020 0.320 1.026 Zr 0.17410 0.81080 0.83020 0.080 1.026 Fe 0.14350 0.83550 0.83470 0.095 1.816 Nb 0.00000 0.00000 0.12930 0.870 0.947 Si 0.00000 0.00000 0.92050 0.800 0.790 Si 0.00000 0.00000 0.87280 0.200 2.053 Na 0.74000 0.24900 0.00350 0.465 3.632 Na 0.77080 0.21960 0.98630 0.465 2.369 Na 0.55440 0.43230 0.67600 1.000 3.474 Na 0.89840 0.10380 0.78800 0.940 5.053 Ce 0.89840 0.10380 0.78800 0.030 5.053 La 0.89840 0.10380 0.78800 0.020 5.053 Nd 0.89840 0.10380 0.78800 0.010 5.053 Na 0.44050 0.56960 0.88000 0.480 1.105 Ce 0.44050 0.56960 0.88000 0.230 1.105 La 0.44050 0.56960 0.88000 0.130 1.105 Nd 0.44050 0.56960 0.88000 0.070 1.105 Pr 0.44050 0.56960 0.88000 0.030 1.105 K 0.44050 0.56960 0.88000 0.065 1.105 Na 0.27380 0.75150 0.68520 0.960 4.343 Zr 0.51190 0.50520 0.00000 0.980 0.711 Nb 0.51190 0.50520 0.00000 0.020 0.711 Si 0.74870 0.27480 0.75180 1.000 0.869 Si 0.60920 0.41580 0.91200 1.000 1.026 Si 0.46190 0.54120 0.75540 1.000 0.947 Si 0.87510 0.12120 0.90730 1.000 1.026 Si 0.06110 0.32580 0.73700 1.000 0.790 Si 0.04860 0.72500 0.73700 1.000 0.869 Si 0.26670 -0.06730 0.92990 1.000 0.869 Si 0.05610 0.71340 0.93050 1.000 0.790 O 0.59840 0.38800 0.75400 1.000 1.658 O 0.79700 0.24100 0.79170 1.000 1.658 O 0.77940 0.24830 0.70280 1.000 1.895 O 0.71500 0.25930 0.90520 1.000 1.579 O 0.56810 0.46900 0.87550 1.000 2.290 O 0.92320 0.10500 0.62930 1.000 1.737 O 0.38440 -0.04380 0.72480 1.000 1.342 O 0.39700 0.42740 0.72690 1.000 1.500 O 0.49280 0.52390 0.80470 1.000 1.658 O 0.39270 0.60080 0.75070 1.000 2.053 O 0.25920 0.04180 0.94040 1.000 2.053 O -0.06050 0.70550 0.93930 1.000 1.105 O 0.85260 0.16280 0.86140 1.000 1.500 O 0.91780 0.03590 0.89860 1.000 1.816 O 0.71110 0.10810 0.62520 1.000 1.816 O 0.35920 -0.06710 0.95990 1.000 1.974 O 0.28620 0.92270 0.87740 1.000 1.105 O 0.06890 0.69350 0.87850 1.000 1.342 O 0.15260 0.83410 0.94750 1.000 1.500 O 0.25590 0.22510 0.70460 1.000 1.579 O -0.02110 0.22360 0.70740 1.000 1.421 O 0.04480 0.29800 0.78910 1.000 1.421 O 0.03500 0.73690 0.78920 1.000 1.500 O 0.17340 0.81330 0.72180 1.000 1.263 O 0.26520 0.72760 0.83080 0.900 1.974 O 0.00000 0.00000 0.97330 0.800 1.105 Cl 0.00000 0.00000 0.26600 0.140 2.369 OH 0.00000 0.00000 0.26600 0.190 2.369 Cl -0.05080 0.05060 0.25970 0.047 2.369 OH -0.05080 0.05060 0.25970 0.063 2.369 Cl 0.00000 0.00000 0.21530 0.140 2.369 OH 0.00000 0.00000 0.21530 0.190 2.369 Cl 0.00000 0.00000 0.75430 0.075 2.369 OH 0.00000 0.00000 0.75430 0.175 2.369 Cl 0.00000 0.00000 0.78970 0.075 2.369 OH 0.00000 0.00000 0.78970 0.175 2.369 Cl 0.00000 0.00000 0.71170 0.075 2.369 OH 0.00000 0.00000 0.71170 0.175 2.369 Cl 0.00000 0.00000 0.82190 0.075 2.369 OH 0.00000 0.00000 0.82190 0.175 2.369 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 11 +/- 11 +/- 27 MAX. ABS. INTENSITY / VOLUME**2: 7.880425713 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 7.74 55.32 11.4241 1 0 1 8.79 30.83 10.0553 0 0 3 9.26 32.60 9.5524 0 1 2 12.42 42.45 7.1265 1 1 0 13.76 23.11 6.4354 1 0 4 14.65 30.96 6.0465 0 2 1 15.51 36.90 5.7120 2 0 2 16.35 2.32 5.4204 0 1 5 17.64 2.28 5.0277 0 0 6 18.58 3.14 4.7762 0 2 4 19.25 1.47 4.6106 2 1 1 20.59 37.12 4.3143 2 0 5 21.60 2.84 4.1145 3 0 0 21.63 8.92 4.1082 1 1 6 21.63 8.29 4.1082 2 -1 6 21.84 8.45 4.0686 1 0 7 22.41 13.58 3.9676 2 1 4 22.41 14.76 3.9676 3 -1 4 23.36 2.98 3.8080 0 3 3 23.36 13.51 3.8080 3 0 3 24.11 3.21 3.6907 1 2 5 24.11 3.86 3.6907 -1 3 5 24.69 11.31 3.6062 0 1 8 24.99 17.59 3.5633 2 2 0 25.20 25.71 3.5333 0 2 7 26.20 22.71 3.4016 -1 4 1 26.20 24.00 3.4016 1 3 1 26.54 3.19 3.3586 2 2 3 26.54 1.79 3.3586 4 -2 3 26.70 5.64 3.3385 3 1 2 26.70 4.61 3.3385 4 -1 2 27.72 40.94 3.2177 2 0 8 28.02 1.34 3.1841 0 3 6 28.02 17.41 3.1841 3 0 6 28.19 19.52 3.1656 2 1 7 28.19 17.05 3.1656 3 -1 7 28.64 2.09 3.1173 -1 4 4 28.64 2.45 3.1173 1 3 4 29.09 3.22 3.0698 4 0 1 29.45 13.80 3.0331 1 1 9 29.45 11.40 3.0331 2 -1 9 29.55 17.34 3.0232 0 4 2 30.01 45.40 2.9775 3 1 5 30.01 50.14 2.9775 4 -1 5 30.48 4.22 2.9326 1 2 8 30.48 6.23 2.9326 -1 3 8 30.51 1.36 2.9304 1 0 10 30.76 12.27 2.9072 2 2 6 30.76 7.46 2.9072 4 -2 6 31.32 100.00 2.8560 4 0 4 31.74 3.70 2.8194 5 -2 1 32.16 4.15 2.7832 -2 5 2 32.16 3.54 2.7832 2 3 2 32.59 4.49 2.7473 0 4 5 33.05 11.78 2.7102 0 2 10 33.26 2.13 2.6936 1 4 0 33.26 3.58 2.6936 4 1 0 33.43 5.54 2.6806 -1 4 7 33.43 7.34 2.6806 1 3 7 33.47 2.04 2.6771 0 1 11 33.81 7.93 2.6511 5 -2 4 33.81 6.00 2.6511 3 2 4 34.47 1.01 2.6018 -1 5 3 34.47 1.09 2.6018 5 -1 3 34.47 2.56 2.6018 1 4 3 34.47 1.37 2.6018 4 1 3 34.51 31.73 2.5987 0 3 9 34.51 3.75 2.5987 3 0 9 35.00 2.12 2.5635 -2 5 5 35.41 3.82 2.5347 4 -1 8 35.41 4.63 2.5347 3 1 8 35.44 5.57 2.5332 3 -1 10 35.44 6.12 2.5332 2 1 10 35.72 4.08 2.5138 0 0 12 35.79 2.41 2.5089 4 0 7 36.52 9.98 2.4605 0 5 1 36.81 2.34 2.4414 2 2 9 36.81 1.75 2.4414 4 -2 9 36.89 1.54 2.4363 5 0 2 37.67 9.13 2.3881 0 4 8 37.87 7.10 2.3755 3 3 0 37.89 3.89 2.3743 -1 5 6 37.89 2.89 2.3743 1 4 6 37.89 1.41 2.3743 5 -1 6 38.02 1.10 2.3666 3 2 7 38.06 1.29 2.3642 -1 3 11 38.72 7.66 2.3258 -2 6 1 38.72 6.21 2.3258 2 4 1 38.96 1.78 2.3119 6 -3 3 38.96 2.81 2.3119 3 3 3 39.07 1.38 2.3053 4 2 2 39.44 2.23 2.2848 5 0 5 39.52 2.06 2.2805 1 0 13 39.81 2.88 2.2644 -2 5 8 39.81 2.00 2.2644 2 3 8 39.83 1.27 2.2633 1 3 10 40.81 3.03 2.2110 5 1 1 40.81 2.77 2.2110 6 -1 1 41.16 5.00 2.1934 1 5 2 41.16 4.32 2.1934 -1 6 2 41.50 5.59 2.1757 6 -2 5 41.50 3.91 2.1757 4 2 5 41.88 16.58 2.1571 4 0 10 42.07 1.00 2.1478 6 -3 6 42.07 1.96 2.1478 3 3 6 42.12 1.19 2.1451 0 3 12 42.12 1.76 2.1451 3 0 12 42.19 2.31 2.1421 0 5 7 42.22 5.28 2.1403 3 1 11 42.22 5.54 2.1403 4 -1 11 42.50 6.25 2.1270 5 1 4 42.50 5.06 2.1270 6 -1 4 42.59 7.67 2.1226 0 1 14 43.08 2.05 2.0996 -1 5 9 43.08 2.41 2.0996 5 -1 9 43.08 1.38 2.0996 1 4 9 43.49 1.20 2.0809 -1 6 5 43.49 1.11 2.0809 1 5 5 43.83 1.40 2.0654 5 0 8 43.85 2.10 2.0646 5 -2 10 43.85 2.82 2.0646 3 2 10 44.09 1.59 2.0541 2 2 12 44.09 1.69 2.0541 4 -2 12 44.15 3.42 2.0514 2 4 7 44.15 2.15 2.0514 -2 6 7 44.76 3.36 2.0247 7 -3 1 44.98 3.96 2.0155 0 6 3 45.08 2.30 2.0111 3 4 2 45.08 1.03 2.0111 -3 7 2 45.08 1.59 2.0111 0 0 15 45.74 8.84 1.9838 6 -2 8 45.74 6.68 1.9838 4 2 8 45.91 1.54 1.9765 5 2 0 46.04 1.36 1.9714 6 -1 7 46.33 1.35 1.9596 4 3 4 46.33 1.80 1.9596 7 -3 4 46.42 2.08 1.9562 1 2 14 46.42 1.81 1.9562 -1 3 14 46.84 1.64 1.9394 -2 7 3 46.88 4.90 1.9381 6 -3 9 46.88 5.27 1.9381 3 3 9 47.33 2.76 1.9208 1 3 13 47.33 3.59 1.9208 -1 4 13 47.60 1.17 1.9105 0 5 10 47.77 1.88 1.9040 0 6 6 47.77 10.93 1.9040 6 0 6 48.45 1.04 1.8787 -1 7 1 48.45 1.07 1.8787 1 6 1 48.75 1.25 1.8679 7 -1 2 48.87 1.84 1.8638 1 0 16 49.39 3.77 1.8453 2 4 10 49.39 2.62 1.8453 -2 6 10 49.55 3.09 1.8395 2 5 6 49.55 2.06 1.8395 5 2 6 49.55 3.94 1.8395 -2 7 6 49.55 1.15 1.8395 7 -2 6 49.60 1.93 1.8378 -1 5 12 49.60 1.46 1.8378 5 -1 12 49.60 1.98 1.8378 1 4 12 49.60 1.66 1.8378 4 1 12 49.66 2.65 1.8359 4 3 7 49.66 3.46 1.8359 7 -3 7 49.94 1.09 1.8263 -1 7 4 50.51 3.07 1.8068 0 3 15 50.62 2.32 1.8031 0 2 16 50.81 1.79 1.7969 6 1 5 50.81 1.48 1.7969 7 -1 5 50.87 1.67 1.7948 5 -2 13 50.87 1.22 1.7948 3 2 13 51.13 3.28 1.7864 5 1 10 51.13 2.01 1.7864 6 -1 10 51.28 23.35 1.7816 4 4 0 51.43 3.02 1.7768 6 -2 11 51.43 2.02 1.7768 4 2 11 51.75 11.18 1.7667 0 4 14 51.94 1.95 1.7603 -3 8 1 51.94 2.33 1.7603 3 5 1 52.23 2.96 1.7514 4 -2 15 52.23 2.05 1.7514 2 2 15 53.04 2.51 1.7266 6 -3 12 53.04 2.62 1.7266 3 3 12 53.36 3.45 1.7170 7 0 4 53.43 1.49 1.7148 -2 5 14 53.43 1.32 1.7148 2 3 14 53.63 1.40 1.7090 8 -2 1 53.63 1.75 1.7090 6 2 1 53.75 1.42 1.7054 2 0 17 53.91 4.77 1.7008 -2 8 2 53.91 3.94 1.7008 2 6 2 54.19 3.07 1.6925 0 7 5 54.48 1.31 1.6842 7 -1 8 54.50 1.03 1.6837 4 3 10 54.50 1.64 1.6837 7 -3 10 54.65 6.85 1.6793 4 4 6 54.65 6.65 1.6793 8 -4 6 54.77 1.85 1.6759 0 0 18 55.65 1.28 1.6515 1 3 16 55.65 1.44 1.6515 -1 4 16 55.83 2.80 1.6467 -2 8 5 55.83 2.41 1.6467 2 6 5 55.89 3.61 1.6451 2 4 13 55.89 2.03 1.6451 -2 6 13 56.40 2.45 1.6314 2 -1 18 56.40 2.46 1.6314 1 1 18 56.41 1.52 1.6312 -3 7 11 57.07 1.45 1.6137 1 7 3 57.07 1.24 1.6137 -1 8 3 57.07 1.24 1.6137 7 1 3 57.16 1.37 1.6115 1 4 15 57.26 13.59 1.6089 4 0 16 57.71 1.95 1.5973 0 7 8 57.73 3.82 1.5970 -1 7 10 57.73 3.26 1.5970 1 6 10 57.92 1.26 1.5921 6 0 12 57.97 2.68 1.5908 8 -2 7 57.97 3.36 1.5908 6 2 7 58.30 3.04 1.5828 6 -2 14 58.30 2.23 1.5828 4 2 14 58.74 1.15 1.5718 -4 9 2 58.74 1.54 1.5718 4 5 2 58.84 3.73 1.5694 5 -2 16 58.84 4.11 1.5694 3 2 16 59.44 2.08 1.5551 3 6 0 59.44 1.63 1.5551 6 3 0 59.45 1.01 1.5548 -1 8 6 59.49 2.05 1.5538 5 2 12 59.49 2.22 1.5538 7 -2 12 59.56 1.11 1.5521 0 3 18 59.79 1.96 1.5468 9 -4 4 59.79 1.13 1.5468 5 4 4 59.86 2.46 1.5451 1 5 14 59.86 2.55 1.5451 -1 6 14 60.30 3.85 1.5349 8 0 2 60.62 2.08 1.5275 4 3 13 60.62 1.71 1.5275 7 -3 13 61.33 1.34 1.5116 0 8 4 61.58 1.22 1.5061 2 7 1 61.83 1.27 1.5005 9 -2 2 61.93 2.08 1.4984 0 5 16 61.98 1.03 1.4972 0 1 20 62.37 1.33 1.4888 8 -2 10 62.61 1.16 1.4838 5 4 7 62.63 3.91 1.4832 5 3 11 62.63 3.11 1.4832 8 -3 11 62.63 1.95 1.4832 0 7 11 62.84 1.44 1.4787 2 7 4 62.84 1.34 1.4787 -2 9 4 62.91 1.85 1.4773 3 4 14 62.91 1.96 1.4773 -3 7 14 63.44 1.56 1.4663 -2 6 16 63.44 1.28 1.4663 2 4 16 64.72 1.25 1.4403 -1 4 19 64.83 2.55 1.4381 6 0 15 64.98 1.22 1.4352 1 2 20 65.35 2.87 1.4280 8 0 8 65.49 2.73 1.4253 5 5 0 66.06 2.02 1.4143 -4 10 1 66.06 1.87 1.4143 4 6 1 66.31 1.07 1.4097 6 4 2 66.31 1.62 1.4097 2 5 15 66.31 1.32 1.4097 -2 7 15 66.56 1.48 1.4050 -1 9 5 66.56 2.83 1.4050 1 8 5 67.52 1.45 1.3873 7 3 1 67.52 1.10 1.3873 10 -3 1 68.28 5.67 1.3737 0 8 10 68.42 3.40 1.3713 10 -5 6 68.42 3.54 1.3713 5 5 6 68.73 1.07 1.3658 7 3 4 69.28 2.97 1.3562 0 3 21 69.35 6.04 1.3551 0 4 20 69.84 1.19 1.3468 2 8 0 69.84 2.66 1.3468 8 2 0 69.93 2.19 1.3451 -4 10 7 69.93 1.42 1.3451 4 6 7 70.23 1.14 1.3403 2 6 14 70.33 1.12 1.3385 0 2 22 70.52 1.65 1.3354 0 5 19 70.55 1.70 1.3349 8 2 3 70.55 1.57 1.3349 10 -2 3 70.71 1.11 1.3323 2 2 21 72.79 2.60 1.2993 0 6 18 73.45 1.23 1.2892 10 -1 2 73.45 1.17 1.2892 9 1 2 74.77 1.69 1.2697 -4 11 3 74.77 1.59 1.2697 4 7 3 75.66 2.41 1.2569 0 0 24 76.37 1.44 1.2471 -1 6 20 78.33 1.17 1.2207 4 4 18 78.75 1.04 1.2153 11 -2 1 78.75 1.02 1.2153 9 2 1 78.98 1.49 1.2123 -2 11 2 79.21 2.15 1.2093 0 10 5 79.87 1.62 1.2009 1 0 25 81.23 1.79 1.1842 0 2 25 81.77 1.06 1.1778 0 6 21 84.80 1.24 1.1432 6 -2 23 84.88 1.96 1.1424 10 0 10 85.11 1.08 1.1399 -3 9 18 87.09 1.03 1.1190 -2 10 15 87.09 1.01 1.1190 2 8 15 87.09 1.69 1.1190 8 2 15 87.09 1.20 1.1190 10 -2 15 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.