Spurrite Smith J V, Karle I L, Hauptman H, Karle J Acta Crystallographica 13 (1960) 454-458 The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure Locality: contact zone at Scawt Hill, North Ireland _database_code_amcsd 0009239 CELL PARAMETERS: 10.4900 6.7050 14.1600 90.000 101.317 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 976.585 Density (g/cm3): 3.023 MAX. ABS. INTENSITY / VOLUME**2: 3.458537833 RIR: 0.372 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 6.37 4.78 13.8847 0 0 1 2 12.75 76.08 6.9423 0 0 2 2 14.67 46.17 6.0378 0 1 1 4 15.78 1.39 5.6170 1 1 0 4 16.38 4.11 5.4126 -1 1 1 4 17.17 25.65 5.1642 -2 0 1 2 17.24 22.51 5.1430 2 0 0 2 17.66 12.79 5.0233 1 1 1 4 19.18 21.29 4.6282 0 0 3 2 19.23 7.92 4.6152 -1 1 2 4 19.55 2.87 4.5413 2 0 1 2 21.39 1.46 4.1544 1 1 2 4 21.72 2.03 4.0913 -2 1 1 4 21.78 2.13 4.0808 2 1 0 4 23.19 35.54 3.8348 -2 0 3 2 23.35 32.40 3.8089 0 1 3 4 23.46 20.67 3.7919 2 0 2 2 23.50 18.39 3.7849 -2 1 2 4 23.66 13.58 3.7600 2 1 1 4 25.66 42.58 3.4712 0 0 4 2 26.23 8.77 3.3977 1 1 3 4 26.59 17.40 3.3525 0 2 0 2 26.78 3.91 3.3288 -2 1 3 4 27.01 6.19 3.3007 2 1 2 4 27.37 3.17 3.2589 0 2 1 4 27.99 44.38 3.1875 1 2 0 4 28.05 6.25 3.1812 -2 0 4 2 28.34 2.22 3.1487 -1 2 1 4 28.75 24.91 3.1054 -1 1 4 4 28.83 2.85 3.0971 -3 1 1 4 28.97 5.14 3.0826 0 1 4 4 29.12 3.78 3.0663 1 2 1 4 29.26 28.38 3.0527 3 1 0 4 29.59 32.57 3.0189 0 2 2 4 29.84 14.84 2.9939 -3 1 2 4 30.13 1.21 2.9659 -1 2 2 4 31.12 2.03 2.8741 -2 1 4 4 31.72 4.85 2.8207 1 1 4 4 31.82 3.05 2.8119 -2 2 1 4 31.86 4.17 2.8085 2 2 0 4 32.18 14.32 2.7814 -3 1 3 4 32.99 91.36 2.7150 0 2 3 4 33.10 97.04 2.7063 -2 2 2 4 33.14 3.90 2.7030 -1 2 3 4 33.22 100.00 2.6972 2 2 1 4 33.53 92.75 2.6726 -2 0 5 2 33.87 89.92 2.6464 2 0 4 2 34.09 17.60 2.6303 3 1 2 4 34.19 72.34 2.6223 -4 0 1 2 35.14 3.16 2.5536 1 2 3 4 35.61 5.20 2.5212 -3 1 4 4 36.49 11.01 2.4623 -4 0 3 2 36.50 4.99 2.4616 2 1 4 4 36.77 9.14 2.4441 4 0 1 2 36.80 2.10 2.4422 -4 1 1 4 37.18 27.30 2.4184 -3 2 1 4 37.32 4.21 2.4096 -4 1 2 4 37.46 2.21 2.4010 4 1 0 4 38.92 3.92 2.3141 0 0 6 2 39.00 13.23 2.3096 3 2 1 4 39.03 4.74 2.3076 -2 2 4 4 39.27 4.58 2.2944 2 2 3 4 39.30 2.24 2.2926 -4 0 4 2 39.53 1.89 2.2797 1 2 4 4 39.70 4.43 2.2706 4 0 2 2 39.80 2.14 2.2648 2 0 5 2 39.89 2.19 2.2601 -3 1 5 4 39.91 43.67 2.2588 -3 2 3 4 40.90 16.61 2.2066 0 3 1 4 41.27 20.29 2.1875 0 1 6 4 41.34 9.47 2.1840 1 3 0 4 41.51 12.39 2.1756 3 2 2 4 41.59 41.98 2.1714 -1 3 1 4 41.63 19.45 2.1693 -4 1 4 4 42.01 14.74 2.1507 4 1 2 4 42.15 6.10 2.1438 1 3 1 4 42.49 11.33 2.1275 0 3 2 4 42.73 21.82 2.1163 3 1 4 4 42.89 2.21 2.1087 -1 3 2 4 42.99 12.92 2.1038 -4 0 5 2 43.48 11.56 2.0811 4 0 3 2 43.83 1.64 2.0655 -4 2 1 4 43.88 6.61 2.0632 1 1 6 4 43.98 2.16 2.0590 1 3 2 4 44.15 4.42 2.0511 -2 3 1 4 44.18 6.98 2.0498 2 3 0 4 44.56 1.23 2.0334 1 2 5 4 44.82 30.07 2.0220 -3 1 6 4 45.13 2.92 2.0090 -2 3 2 4 45.16 2.03 2.0077 -1 3 3 4 45.17 3.19 2.0073 -4 1 5 4 45.22 2.85 2.0053 2 3 1 4 45.34 11.06 2.0001 -5 1 1 4 45.52 25.51 1.9928 -5 1 2 4 45.64 9.48 1.9876 4 1 3 4 45.68 3.08 1.9861 -2 0 7 2 45.72 4.88 1.9846 -4 2 3 4 45.74 9.91 1.9835 0 0 7 2 45.95 1.36 1.9750 4 2 1 4 46.06 1.39 1.9706 2 0 6 2 46.16 6.76 1.9667 5 1 0 4 46.53 3.64 1.9518 -3 2 5 4 46.72 8.30 1.9441 1 3 3 4 46.92 12.16 1.9366 -1 1 7 4 47.11 3.04 1.9292 -1 2 6 4 47.42 2.95 1.9174 -4 0 6 2 47.76 53.61 1.9045 0 2 6 4 47.82 11.82 1.9020 0 1 7 4 47.92 4.02 1.8985 5 1 1 4 47.98 2.69 1.8960 4 0 4 2 47.99 17.33 1.8959 3 1 5 4 48.08 27.63 1.8924 -4 2 4 4 48.20 3.24 1.8880 -2 2 6 4 48.42 35.07 1.8800 4 2 2 4 48.44 2.05 1.8792 0 3 4 4 48.51 5.80 1.8767 2 2 5 4 48.63 2.23 1.8723 3 3 0 4 48.75 2.33 1.8680 -5 1 4 4 49.01 2.55 1.8585 -3 3 2 4 49.06 9.95 1.8569 3 2 4 4 49.44 1.04 1.8435 -4 1 6 4 49.87 1.53 1.8288 -2 3 4 4 50.06 1.96 1.8222 2 3 3 4 50.29 2.19 1.8144 -3 1 7 4 50.41 1.44 1.8104 1 1 7 4 50.55 6.05 1.8055 5 1 2 4 50.59 4.63 1.8042 -3 3 3 4 51.27 9.13 1.7820 -4 2 5 4 51.42 11.62 1.7769 -5 2 1 4 51.58 1.24 1.7718 -5 2 2 4 51.67 14.99 1.7691 -5 1 5 4 51.70 4.32 1.7682 4 2 3 4 51.93 2.30 1.7609 3 3 2 4 52.21 1.94 1.7519 -2 0 8 2 52.40 1.21 1.7460 -6 0 2 2 52.44 3.47 1.7449 -4 0 7 2 52.74 4.96 1.7356 0 0 8 2 52.86 2.53 1.7320 -1 2 7 4 53.44 4.25 1.7145 -2 3 5 4 53.64 12.11 1.7088 -2 2 7 4 53.68 3.50 1.7075 2 3 4 4 53.69 10.71 1.7071 0 2 7 4 53.72 1.88 1.7062 3 1 6 4 53.78 7.33 1.7045 5 2 1 4 53.84 4.35 1.7027 3 2 5 4 53.97 2.85 1.6990 5 1 3 4 53.97 11.08 1.6988 2 2 6 4 54.53 5.20 1.6830 1 3 5 4 54.55 1.81 1.6824 -5 2 4 4 54.76 9.86 1.6762 0 4 0 2 54.83 5.59 1.6744 3 3 3 4 54.88 3.84 1.6730 -6 0 4 2 55.19 2.17 1.6644 -4 2 6 4 55.26 4.57 1.6622 6 0 1 2 55.53 1.49 1.6549 -4 3 3 4 55.70 2.76 1.6503 4 2 4 4 55.73 2.30 1.6494 4 3 1 4 55.75 4.02 1.6489 -1 4 1 4 55.97 2.68 1.6429 -3 2 7 4 56.20 6.00 1.6367 1 4 1 4 56.20 1.51 1.6366 -3 1 8 4 56.22 2.86 1.6363 5 2 2 4 56.23 4.93 1.6358 -3 3 5 4 56.47 1.07 1.6294 0 4 2 4 56.74 2.22 1.6224 -1 3 6 4 56.80 3.07 1.6209 -1 4 2 4 57.25 4.68 1.6091 -5 2 5 4 57.83 6.00 1.5944 -2 4 1 4 57.86 3.87 1.5937 2 4 0 4 57.97 1.77 1.5908 2 3 5 4 58.08 1.94 1.5881 5 1 4 4 58.66 2.39 1.5737 -1 4 3 4 58.71 1.02 1.5725 2 4 1 4 59.03 1.35 1.5648 -1 2 8 4 59.04 4.71 1.5646 -2 0 9 2 59.46 3.01 1.5546 2 0 8 2 59.54 3.30 1.5527 -2 2 8 4 59.71 7.39 1.5486 -6 2 2 4 59.75 4.33 1.5478 -4 2 7 4 59.79 5.21 1.5469 -6 2 1 4 59.88 1.87 1.5445 3 1 7 4 59.90 6.81 1.5441 2 2 7 4 59.96 4.39 1.5427 0 0 9 2 59.97 1.90 1.5425 1 4 3 4 60.02 5.96 1.5413 0 2 8 4 60.15 4.73 1.5384 -3 3 6 4 60.33 3.11 1.5342 4 2 5 4 60.43 1.86 1.5319 -4 3 5 4 60.57 1.52 1.5287 -5 3 1 4 60.58 4.44 1.5284 -6 0 6 2 60.67 1.33 1.5264 6 2 0 4 60.70 2.54 1.5258 -5 2 6 4 60.71 5.24 1.5254 -5 3 2 4 61.23 7.41 1.5138 6 0 3 2 61.35 4.71 1.5112 -3 4 1 4 61.42 5.93 1.5095 0 4 4 4 61.58 1.20 1.5059 3 4 0 4 61.91 2.89 1.4987 -3 4 2 4 62.31 1.71 1.4902 -6 1 6 4 62.47 1.61 1.4868 1 2 8 4 62.53 6.06 1.4853 -3 1 9 4 62.57 1.64 1.4846 -2 3 7 4 62.70 1.68 1.4818 5 3 1 4 62.81 3.88 1.4794 5 1 5 4 62.87 1.31 1.4781 2 3 6 4 63.91 3.69 1.4566 -7 1 1 4 64.00 1.90 1.4549 -4 0 9 2 64.14 1.22 1.4520 -7 1 3 4 64.49 1.25 1.4449 -6 0 7 2 64.61 5.54 1.4425 -5 1 8 4 64.74 1.19 1.4399 4 0 7 2 64.89 1.61 1.4370 -4 2 8 4 64.92 3.94 1.4363 5 3 2 4 64.97 1.93 1.4354 7 1 0 4 64.99 9.61 1.4351 0 4 5 4 65.39 2.67 1.4271 -3 4 4 4 65.43 3.07 1.4265 -7 1 4 4 65.54 1.51 1.4244 4 2 6 4 65.76 6.65 1.4200 -2 4 5 4 65.88 1.62 1.4178 -5 3 5 4 65.97 8.44 1.4161 2 4 4 4 66.16 12.78 1.4124 -4 4 1 4 66.18 1.82 1.4120 -2 0 10 2 66.46 2.41 1.4069 3 1 8 4 66.62 2.03 1.4038 2 0 9 2 66.72 1.09 1.4020 1 4 5 4 66.74 3.19 1.4015 0 2 9 4 66.98 4.06 1.3970 3 4 3 4 67.33 4.37 1.3907 -6 2 6 4 67.52 3.12 1.3872 -1 3 8 4 67.66 1.94 1.3848 3 3 6 4 67.94 3.70 1.3796 6 2 3 4 68.12 3.24 1.3766 5 1 6 4 68.44 1.51 1.3708 0 3 8 4 68.69 2.22 1.3664 -1 4 6 4 68.84 2.23 1.3638 -6 3 3 4 69.04 1.30 1.3604 -6 0 8 2 69.05 2.28 1.3603 6 3 0 4 69.83 1.83 1.3468 -3 3 8 4 70.24 1.75 1.3400 3 4 4 4 70.47 5.39 1.3363 -4 0 10 2 71.27 6.28 1.3232 4 0 8 2 71.96 1.39 1.3122 -1 5 2 4 72.03 6.71 1.3112 -8 0 2 2 72.04 2.38 1.3110 -4 4 5 4 72.30 1.81 1.3069 -5 4 2 4 72.39 2.02 1.3055 4 4 3 4 72.60 1.57 1.3021 7 1 3 4 72.78 1.36 1.2995 5 4 0 4 72.90 1.13 1.2976 2 5 0 4 73.33 3.19 1.2910 -8 0 4 2 73.35 1.15 1.2907 -1 4 7 4 73.68 1.84 1.2858 -7 1 7 4 73.68 3.79 1.2858 8 0 0 2 73.95 1.25 1.2817 -2 3 9 4 74.12 1.35 1.2792 5 4 1 4 74.32 1.05 1.2762 2 3 8 4 75.04 1.30 1.2658 -2 5 3 4 75.15 1.47 1.2643 2 5 2 4 75.31 1.15 1.2620 -4 4 6 4 75.60 1.05 1.2578 8 0 1 2 75.74 1.16 1.2558 4 4 4 4 76.19 2.40 1.2496 5 4 2 4 76.79 6.91 1.2413 -4 2 10 4 77.08 2.86 1.2373 -5 4 5 4 77.45 2.05 1.2323 -5 3 8 4 77.56 5.59 1.2308 4 2 8 4 78.30 9.16 1.2211 -8 2 2 4 78.64 1.27 1.2166 5 2 7 4 78.75 1.73 1.2152 3 4 6 4 78.96 1.74 1.2125 -4 1 11 4 79.22 1.07 1.2092 -6 4 2 4 79.28 1.15 1.2084 -6 4 1 4 79.48 2.02 1.2058 7 3 1 4 79.82 2.88 1.2016 4 1 9 4 79.91 2.28 1.2004 -2 2 11 4 79.92 1.60 1.2003 -6 0 10 2 80.09 1.10 1.1982 -5 4 6 4 80.11 1.19 1.1980 -7 3 5 4 80.36 2.97 1.1948 2 2 10 4 81.01 1.95 1.1869 6 0 7 2 81.20 1.17 1.1846 3 5 3 4 81.48 3.60 1.1813 0 2 11 4 81.78 1.01 1.1777 8 2 1 4 81.88 1.52 1.1764 7 3 2 4 82.37 1.52 1.1707 -3 5 5 4 83.12 1.81 1.1621 -6 3 8 4 83.52 1.97 1.1575 -4 5 4 4 83.61 2.02 1.1565 -2 5 6 4 83.68 1.88 1.1557 -8 2 6 4 83.77 2.26 1.1547 4 5 2 4 83.84 2.02 1.1539 2 5 5 4 83.95 1.41 1.1527 6 3 5 4 84.13 1.86 1.1506 -3 1 12 4 84.36 1.47 1.1481 8 2 2 4 84.51 1.38 1.1465 -1 4 9 4 84.52 4.60 1.1463 -8 0 8 2 84.98 1.01 1.1413 7 3 3 4 85.11 1.20 1.1399 2 4 8 4 85.49 1.79 1.1358 3 2 10 4 85.54 3.46 1.1353 8 0 4 2 85.55 5.63 1.1352 0 4 9 4 86.01 2.80 1.1302 -7 3 7 4 86.08 1.45 1.1295 -5 5 1 4 86.21 1.52 1.1282 -5 5 2 4 86.29 1.24 1.1274 5 3 7 4 86.79 1.13 1.1221 -8 2 7 4 87.04 1.38 1.1195 -5 5 3 4 87.53 1.02 1.1146 -7 4 1 4 87.59 3.65 1.1139 0 6 1 4 87.63 1.20 1.1135 8 2 3 4 87.73 1.32 1.1125 -7 4 3 4 87.88 1.64 1.1110 1 6 0 4 87.88 1.39 1.1109 1 4 9 4 87.96 2.04 1.1102 5 5 1 4 87.98 1.13 1.1099 -7 1 10 4 88.20 1.02 1.1078 2 2 11 4 88.40 1.77 1.1058 -5 3 10 4 88.58 1.01 1.1040 -5 5 4 4 88.77 1.58 1.1021 7 3 4 4 88.97 1.32 1.1002 -9 1 6 4 89.10 1.30 1.0989 -4 5 6 4 89.52 2.00 1.0948 4 5 4 4 89.63 1.74 1.0937 0 2 12 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.