Anthophyllite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070245 Warren B, Modell D Zeitschrift fur Kristallographie 75 (1930) 161-179 The structure of Anthophyllite H2 Mg7 (Si O3)8 _cod_database_code 1010935 _database_code_amcsd 0017657 CELL PARAMETERS: 18.5290 18.0050 5.2779 90.000 90.000 90.000 SPACE GROUP: Pnma ATOM X Y Z OCCUPANCY ISO(B) Mg 0.13000 0.17000 0.38000 1.000 0.800 Mg 0.13000 0.08000 -0.13000 1.000 0.800 Mg 0.13000 -0.02000 0.38000 1.000 0.800 Mg 0.13000 0.25000 -0.13000 1.000 0.800 Si 0.03000 -0.18000 0.29000 1.000 0.500 Si 0.03000 -0.08000 -0.21000 1.000 0.500 Si 0.22000 -0.08000 0.04000 1.000 0.500 Si 0.22000 -0.18000 -0.46000 1.000 0.500 O 0.06000 0.07000 0.20000 1.000 1.000 O 0.06000 0.18000 -0.30000 1.000 1.000 O 0.06000 -0.25000 0.20000 1.000 1.000 O 0.06000 0.25000 0.20000 1.000 1.000 O 0.06000 0.00000 -0.30000 1.000 1.000 O 0.05000 -0.13000 0.05000 1.000 1.000 O 0.05000 -0.13000 -0.46000 1.000 1.000 O 0.19000 0.18000 0.05000 1.000 1.000 O 0.19000 0.07000 -0.44000 1.000 1.000 O 0.19000 0.00000 0.05000 1.000 1.000 O 0.19000 -0.25000 0.45000 1.000 1.000 O 0.19000 0.25000 -0.45000 1.000 1.000 O 0.20000 -0.13000 0.30000 1.000 1.000 O 0.20000 -0.13000 -0.20000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 17 +/- 16 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 4.867943221 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.55 1.53 9.2645 2 0 0 10.74 18.18 8.2379 2 1 0 17.47 1.40 5.0760 1 0 1 17.51 16.26 5.0648 0 1 1 17.61 13.05 5.0371 2 3 0 18.16 20.01 4.8856 1 1 1 19.16 7.51 4.6322 4 0 0 19.36 2.08 4.5859 2 0 1 19.72 11.02 4.5012 0 4 0 19.98 10.85 4.4440 2 1 1 20.08 3.74 4.4216 1 2 1 21.57 4.29 4.1190 4 2 0 21.75 3.97 4.0863 2 2 1 22.43 9.18 3.9634 0 3 1 22.71 3.57 3.9164 3 1 1 22.95 38.56 3.8757 1 3 1 24.29 6.34 3.6649 3 2 1 24.43 67.59 3.6439 2 3 1 26.56 7.35 3.3564 2 5 0 26.73 39.12 3.3356 3 3 1 27.47 22.27 3.2472 4 2 1 27.63 23.16 3.2282 4 4 0 27.77 1.86 3.2124 2 4 1 29.34 100.00 3.0437 6 1 0 29.66 15.66 3.0115 4 3 1 30.44 4.04 2.9370 1 5 1 31.12 24.02 2.8741 5 2 1 31.59 45.36 2.8322 2 5 1 32.61 17.72 2.7460 6 3 0 33.09 7.33 2.7069 5 3 1 33.44 38.08 2.6800 3 5 1 34.73 26.05 2.5832 1 6 1 35.11 11.08 2.5558 6 2 1 35.37 56.59 2.5380 2 0 2 35.76 12.29 2.5110 2 6 1 35.88 26.93 2.5030 4 5 1 37.05 7.21 2.4267 3 0 2 37.39 4.29 2.4050 3 1 2 38.40 10.87 2.3442 6 5 0 38.82 13.27 2.3197 5 5 1 38.88 9.50 2.3161 8 0 0 39.27 7.19 2.2944 1 7 1 39.37 7.44 2.2884 7 2 1 39.62 2.49 2.2746 4 1 2 39.65 5.59 2.2730 4 6 1 40.06 1.11 2.2506 0 8 0 40.20 18.66 2.2434 2 7 1 40.82 8.66 2.2108 2 4 2 41.00 2.13 2.2012 7 3 1 41.71 10.14 2.1654 3 7 1 42.03 24.94 2.1496 5 0 2 42.19 2.01 2.1420 4 3 2 42.35 11.20 2.1344 5 1 2 42.37 7.40 2.1331 5 6 1 42.76 1.59 2.1147 1 5 2 43.76 5.81 2.0688 4 7 1 43.86 5.97 2.0644 8 2 1 44.77 2.90 2.0243 4 8 0 45.35 2.93 1.9997 8 3 1 45.52 9.21 1.9928 6 6 1 45.89 4.74 1.9774 7 5 1 45.92 2.59 1.9764 6 7 0 46.28 4.16 1.9617 5 7 1 46.44 6.45 1.9555 2 9 0 46.98 3.40 1.9341 4 5 2 48.53 2.14 1.8759 9 2 1 48.72 4.31 1.8689 7 0 2 49.00 3.61 1.8589 7 1 2 49.45 3.97 1.8432 10 1 0 49.74 2.69 1.8329 1 7 2 49.76 6.73 1.8325 6 4 2 49.90 6.14 1.8275 8 5 1 49.92 1.50 1.8270 9 3 1 51.63 2.89 1.7704 10 3 0 52.84 4.32 1.7327 8 1 2 52.86 10.49 1.7320 8 6 1 53.06 1.33 1.7260 7 4 2 53.76 1.81 1.7052 1 8 2 54.02 1.35 1.6974 2 2 3 54.18 4.88 1.6929 9 5 1 54.34 6.22 1.6883 0 3 3 54.49 20.69 1.6839 2 8 2 54.58 3.71 1.6813 1 3 3 54.66 2.31 1.6790 6 9 0 55.24 2.90 1.6629 3 2 3 55.70 5.92 1.6502 3 8 2 55.98 1.78 1.6427 3 10 1 56.71 11.83 1.6232 9 0 2 56.96 3.07 1.6167 9 1 2 56.98 8.82 1.6161 9 6 1 57.06 2.59 1.6141 8 8 0 57.15 6.34 1.6119 2 11 0 57.64 2.53 1.5993 4 10 1 58.38 12.16 1.5807 0 5 3 58.61 6.33 1.5750 1 5 3 59.32 1.48 1.5578 1 11 1 59.64 1.21 1.5503 11 3 1 59.73 1.77 1.5482 5 10 1 59.90 15.87 1.5441 12 0 0 59.92 8.91 1.5436 3 9 2 60.01 1.36 1.5416 2 11 1 60.64 1.01 1.5270 9 4 2 61.11 1.92 1.5164 10 0 2 61.28 16.01 1.5126 1 6 3 61.37 15.34 1.5106 10 6 1 61.51 5.13 1.5075 4 9 2 61.53 1.69 1.5071 6 2 3 61.70 2.78 1.5034 10 7 0 61.84 9.88 1.5004 0 12 0 61.96 5.63 1.4977 2 6 3 63.33 1.78 1.4685 2 10 2 63.72 1.02 1.4605 12 4 0 64.13 5.37 1.4521 0 7 3 64.35 2.34 1.4477 1 7 3 64.42 2.70 1.4462 6 11 0 64.43 1.24 1.4462 7 2 3 64.65 1.90 1.4416 8 7 2 64.88 3.42 1.4371 10 4 2 65.77 3.00 1.4199 11 0 2 66.00 4.55 1.4155 11 1 2 66.02 21.39 1.4151 11 6 1 68.94 5.76 1.3621 6 6 3 69.10 2.39 1.3594 10 9 0 69.23 1.13 1.3572 7 5 3 69.24 3.77 1.3570 3 11 2 70.48 1.21 1.3362 1 13 1 70.91 7.11 1.3291 12 1 2 70.93 5.24 1.3288 12 6 1 71.47 1.90 1.3199 14 1 0 71.68 1.97 1.3166 7 6 3 71.69 2.07 1.3165 9 8 2 71.71 3.68 1.3161 1 0 4 71.90 7.68 1.3132 8 9 2 71.93 2.94 1.3126 1 1 4 72.56 2.52 1.3029 2 1 4 72.60 1.47 1.3023 5 11 2 72.68 2.31 1.3010 12 3 2 73.29 13.97 1.2916 2 12 2 73.37 1.52 1.2904 3 0 4 73.69 1.37 1.2856 1 3 4 74.33 3.42 1.2762 3 12 2 74.82 5.98 1.2690 4 0 4 75.22 1.33 1.2632 1 4 4 75.22 1.75 1.2632 10 2 3 75.41 2.96 1.2605 9 9 2 75.61 2.15 1.2576 10 8 2 76.10 1.25 1.2508 13 6 1 77.52 1.87 1.2313 7 11 2 77.60 1.30 1.2303 5 12 2 78.26 1.82 1.2216 9 6 3 79.72 1.06 1.2029 3 13 2 80.09 1.78 1.1982 5 4 4 80.56 1.23 1.1925 8 11 2 81.13 2.14 1.1855 4 13 2 81.51 1.31 1.1809 7 0 4 81.72 1.07 1.1784 7 1 4 82.08 1.32 1.1741 10 6 3 83.19 2.72 1.1612 2 15 1 83.96 1.79 1.1526 9 11 2 84.19 2.00 1.1500 3 15 1 84.51 2.80 1.1465 8 0 4 85.16 1.11 1.1394 12 3 3 85.59 1.48 1.1348 4 15 1 86.48 1.95 1.1253 0 16 0 87.38 1.44 1.1161 5 15 1 88.06 2.09 1.1091 12 9 2 88.52 2.22 1.1046 12 5 3 88.60 3.97 1.1038 14 9 0 88.80 4.52 1.1018 9 12 2 89.02 1.73 1.0997 8 14 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.