Petersenite-(Ce) Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120035 Grice J D, Velthuizen J V, Gault R A The Canadian Mineralogist 32 (1994) 405-414 Petersenite-(Ce), a new mineral from Mont Saint-Hilaire, and its structural relationship to other REE carbonates Locality: Mont Saint-Hilaire, Quebec, Canada _database_code_amcsd 0005369 CELL PARAMETERS: 20.9450 6.3989 10.5950 90.000 120.370 90.000 SPACE GROUP: P2_1 ATOM X Y Z OCCUPANCY ISO(B) Na 0.58120 0.49960 0.32470 1.000 1.184 Na 0.91870 0.99400 0.16200 1.000 1.184 Na 0.23320 0.80370 0.03560 1.000 1.184 Na 0.75620 0.31590 0.52450 1.000 1.184 Na 0.97760 0.30710 0.97310 1.000 1.263 Na 0.52250 0.80850 0.01870 1.000 1.184 Na 0.26670 0.30300 0.56940 1.000 1.105 Na 0.25620 0.31640 0.98800 1.000 1.026 Ce 0.65830 0.00000 0.64190 1.000 0.632 Ce 0.92060 0.99680 0.65560 1.000 0.553 Ce 0.84170 0.49750 0.32540 1.000 0.711 Ce 0.57940 0.49790 0.81440 1.000 0.553 C 0.32930 -0.01970 -0.14700 1.000 0.711 C 0.82910 -0.02080 0.80800 1.000 0.790 C 0.69660 0.53340 0.68400 1.000 0.474 C -0.09790 0.53580 0.09420 1.000 0.395 C 0.10020 0.03440 0.31410 1.000 0.553 C 0.80270 0.02990 0.29000 1.000 0.711 C 0.59750 0.03130 0.29070 1.000 0.474 C 0.00100 0.82770 0.50800 1.000 0.947 C 0.59990 0.03230 0.88650 1.000 0.632 C 0.50290 0.82750 0.49780 1.000 0.711 O 0.29450 -0.01920 -0.07600 1.000 1.026 O 0.40050 -0.02750 -0.07670 1.000 0.869 O 0.70860 -0.52570 0.28990 1.000 1.026 O 0.90100 -0.02580 0.87950 1.000 0.947 O 0.79490 -0.01550 0.66630 1.000 0.947 O 0.79140 -0.02600 0.87160 1.000 1.026 O 0.72130 0.34800 0.70460 1.000 0.790 O 0.68410 -0.36260 0.56990 1.000 1.026 O 0.68430 -0.37520 0.78050 1.000 0.947 O 0.03660 0.12790 0.87080 1.000 1.026 O 0.14370 0.12580 0.87820 1.000 1.026 O 0.11060 0.85180 0.96130 1.000 1.658 O 0.95620 -0.36500 0.77640 1.000 1.184 O 0.88700 0.34510 0.71050 1.000 0.869 O 0.85220 -0.37420 0.56440 1.000 0.947 O 0.81690 0.13600 0.20200 1.000 0.947 O 0.77830 -0.14990 0.26340 1.000 0.869 O 0.81560 0.12420 0.41110 1.000 1.026 O 0.38930 0.35020 0.74010 1.000 1.579 O 0.53540 0.12910 0.20110 1.000 1.184 O 0.35550 0.62480 0.58890 1.000 0.947 O 0.95860 0.30840 0.55170 1.000 1.342 O 0.03430 -0.12410 0.64390 1.000 1.105 O 0.06770 0.30680 0.55990 1.000 1.342 O 0.64790 0.12550 0.85970 1.000 0.869 O 0.38790 0.34580 0.06460 1.000 0.711 O 0.45600 -0.36370 0.13610 1.000 1.263 O 0.56780 0.30750 0.57420 1.000 1.342 O 0.53460 0.87600 0.42500 1.000 1.342 O 0.45890 0.31000 0.36670 1.000 1.105 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 16 +/- 5 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 12.05636656 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.68 45.60 9.1411 0 0 1 9.68 45.55 9.1387 -2 0 1 9.79 2.14 9.0354 2 0 0 12.87 32.52 6.8760 1 0 1 12.88 32.40 6.8739 -3 0 1 16.18 94.08 5.4774 -1 1 1 16.91 50.01 5.2422 0 1 1 16.91 49.99 5.2417 -2 1 1 16.93 39.04 5.2372 2 0 1 16.93 38.54 5.2358 -4 0 1 18.95 13.85 4.6843 1 1 1 18.95 14.07 4.6836 -3 1 1 19.42 16.65 4.5706 0 0 2 19.43 17.15 4.5693 -4 0 2 19.65 22.33 4.5177 4 0 0 21.38 19.52 4.1562 3 0 1 21.38 19.37 4.1552 -5 0 1 22.33 2.41 3.9806 -1 1 2 22.34 2.54 3.9802 -3 1 2 23.93 47.59 3.7192 0 1 2 23.93 47.33 3.7186 -4 1 2 24.11 37.32 3.6906 4 1 0 25.56 5.06 3.4855 3 1 1 25.56 5.04 3.4849 -5 1 1 25.70 6.42 3.4663 -2 0 3 25.70 6.30 3.4659 -4 0 3 26.05 3.78 3.4210 4 0 1 26.05 3.78 3.4203 -6 0 1 27.11 12.18 3.2897 -1 0 3 27.11 12.10 3.2890 -5 0 3 27.89 58.14 3.1995 0 2 0 28.88 2.48 3.0920 -3 1 3 29.30 25.99 3.0478 -2 1 3 29.31 25.96 3.0476 -4 1 3 29.31 11.08 3.0470 0 0 3 29.32 10.96 3.0462 -6 0 3 29.49 6.10 3.0285 2 1 2 29.50 5.92 3.0278 -6 1 2 29.58 3.37 3.0198 0 2 1 29.58 3.45 3.0197 -2 2 1 29.61 26.75 3.0169 4 1 1 29.62 26.62 3.0164 -6 1 1 29.66 1.03 3.0118 6 0 0 29.92 1.51 2.9860 3 0 2 29.93 1.47 2.9851 -7 0 2 30.56 4.41 2.9257 -1 1 3 30.56 4.56 2.9252 -5 1 3 30.82 7.61 2.9008 1 2 1 30.83 7.72 2.9006 -3 2 1 32.17 2.00 2.7828 1 0 3 32.18 1.96 2.7820 -7 0 3 32.55 11.83 2.7511 0 1 3 32.55 11.65 2.7505 -6 1 3 32.70 4.33 2.7387 -2 2 2 32.80 14.64 2.7303 2 2 1 32.80 14.48 2.7301 -4 2 1 32.87 13.11 2.7251 6 1 0 33.84 44.90 2.6487 -4 0 4 33.97 6.68 2.6393 5 1 1 33.97 6.74 2.6390 -7 1 1 34.21 41.79 2.6211 0 2 2 34.21 2.64 2.6209 -3 0 4 34.21 41.97 2.6208 -4 2 2 34.22 2.60 2.6206 -5 0 4 34.24 45.41 2.6186 4 0 2 34.25 45.27 2.6179 -8 0 2 34.35 45.02 2.6110 4 2 0 35.41 6.68 2.5353 3 2 1 35.41 6.56 2.5350 -5 2 1 35.80 2.48 2.5084 6 0 1 35.80 2.43 2.5080 -8 0 1 38.09 2.20 2.3624 -2 1 4 38.10 2.27 2.3621 -6 1 4 38.30 8.09 2.3498 2 1 3 38.31 8.20 2.3492 -8 1 3 38.55 5.79 2.3353 6 1 1 38.56 5.88 2.3350 -8 1 1 39.28 9.03 2.2936 -1 2 3 39.29 9.11 2.2934 -5 2 3 39.43 4.86 2.2853 0 0 4 39.44 4.71 2.2847 -8 0 4 39.75 2.12 2.2676 -1 1 4 39.76 2.14 2.2671 -7 1 4 39.91 3.17 2.2589 8 0 0 40.84 2.04 2.2093 7 0 1 40.85 2.11 2.2091 -9 0 1 40.90 10.03 2.2065 0 2 3 40.91 9.85 2.2062 -6 2 3 41.16 3.46 2.1930 6 2 0 41.87 8.86 2.1578 3 1 3 41.88 8.81 2.1572 -9 1 3 41.98 35.10 2.1522 0 1 4 41.99 35.05 2.1516 -8 1 4 42.44 45.42 2.1300 8 1 0 43.08 2.34 2.0997 1 2 3 43.09 2.42 2.0993 -7 2 3 43.27 8.58 2.0910 -1 3 1 43.33 2.84 2.0884 7 1 1 43.33 2.76 2.0881 -9 1 1 43.57 14.66 2.0772 0 3 1 43.57 14.75 2.0771 -2 3 1 43.60 3.52 2.0759 2 3 0 44.40 23.84 2.0403 -4 2 4 44.70 1.43 2.0275 -3 2 4 44.70 1.43 2.0274 -5 2 4 44.71 2.53 2.0267 1 1 4 44.72 26.02 2.0264 4 2 2 44.73 2.63 2.0262 -9 1 4 44.73 26.25 2.0261 -8 2 2 45.07 7.68 2.0116 -5 1 5 45.36 3.29 1.9993 -4 1 5 45.36 3.40 1.9992 -6 1 5 45.37 3.85 1.9991 -2 0 5 45.37 3.88 1.9987 -8 0 5 45.76 2.57 1.9827 2 2 3 45.77 2.62 1.9824 -8 2 3 45.78 3.15 1.9819 4 1 3 45.79 3.23 1.9814 -10 1 3 45.92 3.93 1.9765 6 1 2 45.92 3.90 1.9761 -10 1 2 45.98 5.93 1.9740 6 2 1 45.98 5.88 1.9738 -8 2 1 46.00 5.45 1.9729 8 0 1 46.01 5.47 1.9727 -10 0 1 46.23 1.02 1.9636 -3 1 5 47.01 23.20 1.9329 0 3 2 47.02 23.22 1.9328 -4 3 2 47.02 3.23 1.9326 -1 2 4 47.03 3.32 1.9323 -7 2 4 47.12 21.78 1.9288 4 3 0 47.38 4.86 1.9187 -1 0 5 47.39 4.75 1.9182 -9 0 5 47.89 1.04 1.8996 2 1 4 47.90 1.01 1.8991 -10 1 4 48.27 1.57 1.8853 8 1 1 48.28 1.54 1.8851 -10 1 1 48.98 13.44 1.8596 0 2 4 48.99 13.37 1.8593 -8 2 4 49.39 8.75 1.8453 8 2 0 49.60 3.92 1.8378 -1 1 5 49.61 3.97 1.8374 -9 1 5 49.95 1.42 1.8258 -3 3 3 50.00 1.66 1.8242 5 1 3 50.01 1.64 1.8237 -11 1 3 50.18 3.36 1.8180 7 2 1 50.19 3.40 1.8179 -9 2 1 50.22 2.83 1.8166 -2 3 3 50.22 2.88 1.8165 -4 3 3 50.42 3.51 1.8100 4 3 1 50.42 3.55 1.8099 -6 3 1 51.03 1.17 1.7897 -1 3 3 51.03 1.10 1.7896 -5 3 3 51.28 1.80 1.7815 9 0 1 51.29 1.81 1.7813 -11 0 1 51.44 1.82 1.7763 3 1 4 51.46 1.85 1.7758 -11 1 4 52.01 3.21 1.7583 -4 2 5 52.01 3.20 1.7582 -6 2 5 52.02 12.27 1.7579 0 1 5 52.04 12.39 1.7574 -10 1 5 52.36 1.98 1.7474 0 3 3 52.36 1.99 1.7472 -6 3 3 52.39 4.75 1.7465 4 2 3 52.40 4.71 1.7461 -10 2 3 52.51 2.22 1.7427 6 2 2 52.52 2.17 1.7425 -10 2 2 52.58 2.46 1.7407 6 3 0 52.63 5.45 1.7391 10 1 0 53.34 2.43 1.7177 5 3 1 53.34 2.45 1.7176 -7 3 1 54.09 2.52 1.6954 -2 2 5 54.10 2.53 1.6951 -8 2 5 54.12 2.43 1.6948 -5 1 6 54.12 2.47 1.6947 -7 1 6 54.66 2.98 1.6793 8 2 1 54.66 2.96 1.6791 -10 2 1 54.88 9.44 1.6729 -4 1 6 54.89 9.45 1.6727 -8 1 6 55.34 10.87 1.6601 4 1 4 55.36 10.90 1.6597 -12 1 4 55.62 9.03 1.6525 8 1 2 55.63 9.08 1.6522 -12 1 2 55.87 4.77 1.6455 -1 2 5 55.89 4.75 1.6452 -9 2 5 56.46 2.35 1.6298 2 3 3 56.47 2.31 1.6296 -8 3 3 56.65 1.71 1.6249 6 3 1 56.65 1.66 1.6248 -8 3 1 57.26 1.04 1.6089 7 0 3 57.28 1.07 1.6085 -13 0 3 57.62 5.28 1.5997 0 4 0 58.13 1.60 1.5870 2 1 5 58.13 1.25 1.5868 -1 0 6 58.15 1.61 1.5865 -12 1 5 58.15 1.26 1.5864 -11 0 6 58.67 2.54 1.5736 10 1 1 58.67 2.51 1.5735 -12 1 1 59.17 3.84 1.5614 3 3 3 59.18 3.81 1.5612 -9 3 3 59.26 5.45 1.5593 0 3 4 59.27 5.38 1.5591 -8 3 4 59.31 1.22 1.5581 1 4 1 59.31 1.22 1.5581 -3 4 1 59.38 1.52 1.5564 9 2 1 59.39 1.55 1.5563 -11 2 1 59.62 7.39 1.5508 8 3 0 59.84 1.21 1.5457 3 0 5 59.86 1.22 1.5452 -13 0 5 60.41 2.03 1.5325 6 2 3 60.42 2.04 1.5321 -12 2 3 60.52 1.25 1.5299 2 4 1 60.52 1.27 1.5299 -4 4 1 60.78 2.64 1.5239 -4 2 6 60.79 2.70 1.5238 -8 2 6 60.80 3.50 1.5235 0 0 6 60.82 3.48 1.5231 -12 0 6 61.21 2.14 1.5143 4 2 4 61.22 2.20 1.5139 -12 2 4 61.40 2.95 1.5099 0 4 2 61.41 2.95 1.5099 -4 4 2 61.47 3.88 1.5084 8 2 2 61.48 3.91 1.5082 -12 2 2 61.49 3.48 1.5080 4 4 0 61.58 3.42 1.5059 12 0 0 61.70 4.29 1.5033 -5 3 5 62.18 1.86 1.4930 3 4 1 62.18 1.85 1.4929 -5 4 1 62.18 1.10 1.4928 -5 0 7 62.19 1.10 1.4927 -9 0 7 63.35 1.72 1.4681 -6 1 7 63.36 1.74 1.4680 -8 1 7 64.13 1.52 1.4521 11 1 1 64.14 1.47 1.4520 -13 1 1 64.19 2.71 1.4509 8 1 3 64.21 2.70 1.4506 -14 1 3 64.81 1.60 1.4386 -1 4 3 64.81 1.59 1.4386 -5 4 3 64.87 1.52 1.4374 7 2 3 64.88 1.49 1.4371 -13 2 3 65.20 1.09 1.4309 -4 1 7 65.21 1.04 1.4307 -10 1 7 65.68 1.90 1.4216 -1 2 6 65.70 1.25 1.4213 4 1 5 65.70 1.90 1.4213 -11 2 6 65.72 1.23 1.4209 -14 1 5 65.95 2.79 1.4164 0 4 3 65.96 2.81 1.4163 -6 4 3 66.14 1.70 1.4129 10 1 2 66.15 1.67 1.4127 -14 1 2 67.27 1.82 1.3918 3 2 5 67.29 1.84 1.3914 -13 2 5 68.02 1.14 1.3783 12 0 1 68.02 1.15 1.3782 -14 0 1 68.17 5.20 1.3755 0 2 6 68.19 5.18 1.3752 -12 2 6 68.52 8.78 1.3694 -4 4 4 68.77 8.42 1.3651 4 4 2 68.77 8.46 1.3650 -8 4 2 68.92 5.50 1.3625 12 2 0 69.48 2.09 1.3528 -5 2 7 69.49 2.08 1.3527 -9 2 7 69.72 1.19 1.3488 6 4 1 69.72 1.20 1.3487 -8 4 1 69.94 3.24 1.3451 -4 3 6 69.94 3.26 1.3450 -8 3 6 70.34 3.57 1.3384 4 3 4 70.35 3.54 1.3382 -12 3 4 70.58 3.32 1.3344 8 3 2 70.59 3.30 1.3343 -12 3 2 71.20 2.84 1.3244 -8 0 8 71.26 1.98 1.3233 -1 1 7 71.28 1.98 1.3230 -13 1 7 71.42 1.07 1.3209 -7 0 8 71.42 1.08 1.3208 -9 0 8 72.07 2.25 1.3105 0 4 4 72.07 2.28 1.3104 -8 4 4 72.14 3.83 1.3093 8 0 4 72.17 3.84 1.3089 -16 0 4 72.39 1.57 1.3055 8 4 0 74.50 1.16 1.2736 -4 4 5 74.51 1.19 1.2736 -6 4 5 74.57 1.06 1.2726 6 1 5 74.60 1.04 1.2722 -16 1 5 74.71 1.08 1.2705 -1 5 1 74.81 1.38 1.2691 4 4 3 74.82 1.33 1.2689 -10 4 3 74.93 1.08 1.2674 0 5 1 74.93 1.09 1.2674 -2 5 1 75.04 1.26 1.2658 12 2 1 75.04 1.26 1.2658 -14 2 1 76.40 1.87 1.2466 -4 1 8 76.41 1.90 1.2464 -12 1 8 76.69 1.17 1.2426 8 4 1 76.70 1.16 1.2425 -10 4 1 76.94 1.90 1.2392 4 1 6 76.96 1.96 1.2389 -16 1 6 77.45 3.79 1.2324 0 5 2 77.45 3.77 1.2324 -4 5 2 77.51 1.18 1.2315 -6 3 7 77.51 1.22 1.2315 -8 3 7 77.52 3.69 1.2313 4 5 0 77.57 3.12 1.2308 12 1 2 77.58 3.11 1.2306 -16 1 2 77.72 1.55 1.2287 -1 4 5 77.73 1.55 1.2286 -9 4 5 78.10 2.64 1.2237 -8 2 8 78.23 1.11 1.2220 11 3 1 78.23 1.09 1.2220 -13 3 1 78.28 1.76 1.2213 8 3 3 78.29 1.77 1.2211 -14 3 3 78.31 1.48 1.2209 -7 2 8 78.32 1.48 1.2209 -9 2 8 79.02 3.66 1.2118 8 2 4 79.04 1.82 1.2115 -16 -2 4 79.21 1.70 1.2093 -4 3 7 79.22 1.64 1.2092 -10 3 7 79.23 1.73 1.2090 0 2 7 79.25 1.70 1.2088 -14 2 7 79.49 1.87 1.2057 7 1 5 79.67 1.95 1.2035 4 3 5 79.69 1.96 1.2032 -14 3 5 79.90 1.20 1.2006 -2 5 3 79.90 1.20 1.2005 -4 5 3 80.06 1.49 1.1986 4 5 1 80.06 1.53 1.1986 -6 5 1 80.08 2.43 1.1984 10 3 2 80.09 2.48 1.1982 -14 3 2 80.19 1.47 1.1970 14 2 0 81.96 1.05 1.1755 -4 4 6 81.97 1.06 1.1755 -8 4 6 82.01 1.27 1.1749 4 2 6 82.57 1.80 1.1684 8 4 2 82.58 1.79 1.1683 -12 4 2 83.09 1.39 1.1625 8 0 5 83.39 1.93 1.1590 -1 1 8 83.41 1.95 1.1587 -15 1 8 84.89 1.79 1.1423 -1 3 7 84.91 1.78 1.1421 -13 3 7 85.62 1.01 1.1344 7 4 3 86.53 2.24 1.1248 0 1 8 86.55 2.22 1.1246 -16 1 8 87.33 2.29 1.1166 0 5 4 87.33 2.31 1.1165 -8 5 4 87.63 2.91 1.1135 8 5 0 87.76 2.24 1.1122 16 1 0 88.66 3.04 1.1032 0 4 6 88.67 3.06 1.1031 -12 4 6 89.31 1.35 1.0968 4 1 7 89.35 3.54 1.0965 12 4 0 89.45 1.07 1.0955 -5 5 5 89.76 1.04 1.0926 8 2 5 89.83 1.43 1.0918 -4 3 8 89.85 1.43 1.0917 -12 3 8 89.88 1.32 1.0914 -5 4 7 89.88 1.34 1.0914 -9 4 7 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.