Scawtite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R060340 Pluth J J, Smith J V American Mineralogist 58 (1973) 1097-1097 The crystal structure of scawtite Note sample is from Crestmore, California, USA _database_code_amcsd 0000391 CELL PARAMETERS: 10.1040 15.1840 6.6230 90.000 100.584 90.000 SPACE GROUP: I2/m ATOM X Y Z OCCUPANCY ISO(B) Ca 0.21210 0.14020 0.19970 1.000 1.000 Ca 0.50000 0.24950 0.00000 1.000 0.660 Ca 0.50000 0.50000 0.00000 1.000 1.390 Si 0.77290 0.39590 0.20570 1.000 0.450 Si 0.00000 0.32320 0.00000 1.000 0.460 C 0.00000 0.00000 0.00000 1.000 1.460 O 0.90250 0.39320 0.08930 1.000 1.130 O 0.08800 0.26860 0.18380 1.000 0.890 O 0.64440 0.37560 0.03220 1.000 0.840 O 0.69750 0.16200 0.09110 1.000 0.740 O 0.74130 0.00000 0.22770 1.000 0.830 Wa 0.34400 0.00000 0.20150 1.000 1.660 O 0.01140 0.07360 0.09610 0.500 4.040 O 0.06480 0.00000 0.17830 0.500 1.470 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 13 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 7.392898306 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.64 7.30 8.3118 1 1 0 11.66 4.25 7.5920 0 2 0 14.81 18.97 5.9835 0 1 1 17.86 11.41 4.9660 2 0 0 18.91 4.56 4.6933 -1 2 1 19.69 30.90 4.5096 1 3 0 21.17 19.24 4.1973 1 2 1 21.38 14.12 4.1559 2 2 0 22.25 3.93 3.9958 0 3 1 23.44 17.95 3.7960 0 4 0 25.16 24.53 3.5390 2 1 1 27.58 5.90 3.2347 3 1 0 27.85 6.14 3.2034 -1 4 1 27.86 31.23 3.2028 -1 1 2 27.90 5.88 3.1979 -3 0 1 29.46 20.14 3.0316 1 4 1 29.62 100.00 3.0158 2 4 0 29.87 7.63 2.9918 0 2 2 29.93 85.58 2.9854 -2 0 2 30.25 31.58 2.9547 2 3 1 30.33 2.68 2.9471 -3 2 1 31.01 5.20 2.8842 1 1 2 32.22 4.34 2.7783 -2 2 2 32.31 29.87 2.7706 3 3 0 32.53 2.12 2.7521 0 5 1 32.55 3.14 2.7505 -1 3 2 35.33 14.43 2.5407 1 3 2 35.47 1.02 2.5307 0 6 0 35.65 25.54 2.5186 2 0 2 36.06 26.48 2.4906 -2 5 1 36.18 16.91 2.4830 4 0 0 36.36 4.82 2.4710 0 4 2 36.77 1.09 2.4441 -4 1 1 37.63 3.94 2.3905 2 2 2 38.64 7.81 2.3300 -1 6 1 39.33 2.32 2.2908 -3 3 2 39.87 2.99 2.2613 1 6 1 39.99 5.26 2.2548 2 6 0 40.30 1.69 2.2379 3 5 0 40.47 27.12 2.2290 3 4 1 40.50 5.29 2.2273 -1 5 2 40.56 5.95 2.2244 -4 3 1 40.90 16.00 2.2063 -1 0 3 41.67 4.37 2.1675 4 1 1 42.06 7.70 2.1483 0 1 3 42.67 2.68 2.1192 1 7 0 42.68 5.12 2.1186 -1 2 3 42.83 7.38 2.1114 1 5 2 43.24 1.24 2.0921 -4 2 2 45.11 15.42 2.0099 4 3 1 45.21 1.94 2.0056 -5 0 1 47.08 1.40 1.9304 -2 6 2 47.21 2.08 1.9252 -3 2 3 47.93 16.63 1.8980 0 8 0 48.20 44.42 1.8881 -4 4 2 48.88 9.34 1.8633 3 6 1 48.88 6.48 1.8633 2 7 1 50.45 1.47 1.8088 -1 8 1 50.46 1.55 1.8087 -1 7 2 50.74 5.44 1.7992 1 4 3 51.45 5.74 1.7763 4 5 1 51.45 7.24 1.7761 1 8 1 51.54 4.78 1.7733 -5 4 1 51.55 1.55 1.7729 2 8 0 51.66 2.72 1.7695 4 2 2 51.78 1.86 1.7656 0 5 3 51.87 14.15 1.7627 -3 4 3 51.95 3.20 1.7601 5 2 1 52.58 4.37 1.7407 -5 3 2 54.66 1.28 1.6791 3 0 3 55.00 4.42 1.6695 -6 1 1 55.87 1.78 1.6457 -1 1 4 56.05 2.83 1.6408 4 4 2 56.09 1.05 1.6396 0 8 2 56.33 1.79 1.6334 5 4 1 56.33 2.27 1.6332 0 9 1 56.37 2.18 1.6322 -3 8 1 56.54 3.60 1.6276 0 0 4 57.54 5.23 1.6017 -2 8 2 57.65 9.81 1.5989 -6 0 2 57.84 2.07 1.5942 -6 3 1 58.02 6.92 1.5898 1 6 3 58.32 1.70 1.5823 -5 5 2 58.68 3.14 1.5734 -1 3 4 58.74 1.26 1.5718 -5 6 1 58.75 2.01 1.5716 -3 1 4 59.04 1.08 1.5646 -6 2 2 59.05 3.85 1.5644 -3 6 3 59.12 2.76 1.5628 3 8 1 59.53 3.78 1.5529 1 1 4 59.54 7.02 1.5527 -4 5 3 60.27 7.00 1.5355 3 4 3 60.33 7.04 1.5342 0 7 3 60.49 3.78 1.5304 6 1 1 61.07 1.44 1.5174 6 4 0 61.14 3.22 1.5158 2 8 2 61.66 2.03 1.5041 -2 4 4 61.71 1.06 1.5032 3 9 0 61.79 5.83 1.5013 5 3 2 61.86 5.90 1.4999 -1 9 2 62.91 1.19 1.4774 4 6 2 63.18 2.11 1.4718 6 3 1 63.19 1.34 1.4716 -1 10 1 63.27 2.08 1.4698 -6 5 1 64.05 6.26 1.4538 1 10 1 64.52 3.33 1.4443 -6 1 3 64.63 2.43 1.4421 2 2 4 64.70 1.10 1.4408 4 3 3 64.80 5.17 1.4388 -1 8 3 66.03 1.04 1.4149 2 7 3 66.73 1.22 1.4017 -3 5 4 67.34 1.84 1.3906 1 8 3 68.00 1.85 1.3785 -5 8 1 68.10 1.32 1.3769 6 0 2 68.29 1.14 1.3736 -3 8 3 68.39 2.72 1.3716 -3 10 1 68.49 1.46 1.3699 2 4 4 69.10 2.04 1.3593 3 1 4 69.81 1.48 1.3472 5 0 3 70.20 1.62 1.3407 -5 3 4 70.47 1.74 1.3362 7 0 1 71.61 7.60 1.3177 3 3 4 72.72 1.09 1.3004 2 10 2 74.47 1.57 1.2741 3 11 0 74.95 2.13 1.2670 1 7 4 75.15 1.89 1.2642 -5 5 4 75.50 2.01 1.2593 4 0 4 75.54 4.53 1.2586 -8 1 1 75.82 2.24 1.2548 6 7 1 76.10 2.25 1.2508 -1 10 3 76.32 1.18 1.2477 -5 9 2 76.53 1.35 1.2448 3 5 4 77.21 1.25 1.2355 0 8 4 77.39 1.80 1.2331 -4 9 3 77.50 1.37 1.2317 -7 4 3 77.91 1.08 1.2262 2 12 0 77.97 1.93 1.2254 -8 3 1 78.16 1.11 1.2229 -6 8 2 79.38 1.29 1.2072 -3 10 3 81.99 1.55 1.1752 -7 7 2 82.63 2.28 1.1677 4 11 1 82.79 1.10 1.1658 4 10 2 83.03 1.40 1.1631 5 10 1 83.33 1.02 1.1596 -2 11 3 83.39 1.18 1.1589 3 11 2 83.90 1.68 1.1533 -3 9 4 84.33 1.28 1.1485 -7 8 1 85.18 6.17 1.1391 -5 4 5 85.70 1.41 1.1335 5 11 0 86.40 1.14 1.1262 3 10 3 87.99 2.52 1.1099 2 11 3 88.16 1.02 1.1082 -5 10 3 88.98 1.01 1.1001 -6 9 3 89.13 1.91 1.0986 5 8 3 89.62 1.65 1.0939 -4 12 2 89.75 3.16 1.0926 7 8 1 89.87 1.02 1.0914 -8 -7 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.