Paulkellerite Grice J D, Groat L A American Mineralogist 73 (1988) 873-875 Crystal structure of paulkellerite _database_code_amcsd 0001191 CELL PARAMETERS: 11.3800 6.6600 9.6530 90.000 115.340 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 661.216 Density (g/cm3): 6.356 MAX. ABS. INTENSITY / VOLUME**2: 107.8977562 RIR: 5.528 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.73 3.78 5.3002 -1 1 1 4 17.24 65.61 5.1425 2 0 0 2 20.29 4.51 4.3765 -2 0 2 2 20.36 21.00 4.3621 0 0 2 2 20.77 20.27 4.2766 1 1 1 4 22.75 61.90 3.9081 -1 1 2 4 26.77 43.73 3.3300 0 2 0 2 27.07 9.43 3.2943 -3 1 1 4 28.64 100.00 3.1168 -3 1 2 4 28.69 12.11 3.1111 0 2 1 4 28.74 92.09 3.1064 1 1 2 4 29.30 10.87 3.0482 3 1 0 4 31.25 4.12 2.8624 -2 2 1 4 32.02 38.17 2.7952 2 2 0 4 32.09 11.53 2.7894 2 0 2 2 33.53 3.71 2.6725 -3 1 3 4 33.87 12.07 2.6469 0 2 2 4 34.67 1.47 2.5873 3 1 1 4 34.89 20.84 2.5713 4 0 0 2 37.26 13.98 2.4132 -2 0 4 2 39.16 5.52 2.3002 -2 2 3 4 40.69 13.26 2.2175 -3 1 4 4 40.76 14.51 2.2137 -1 1 4 4 41.21 1.97 2.1904 0 2 3 4 41.26 11.21 2.1882 -4 0 4 2 41.40 1.27 2.1811 0 0 4 2 41.99 8.18 2.1519 -1 3 1 4 41.99 23.00 2.1515 -5 1 2 4 42.03 2.03 2.1496 -4 2 1 4 42.13 8.71 2.1446 3 1 2 4 42.16 4.15 2.1434 -4 2 2 4 42.27 4.96 2.1383 2 2 2 4 43.89 8.55 2.0627 1 3 1 4 44.52 20.73 2.0352 4 2 0 4 44.88 4.53 2.0195 -4 2 3 4 44.94 9.69 2.0169 -1 3 2 4 46.19 2.67 1.9654 5 1 0 4 46.47 14.40 1.9541 -2 2 4 4 47.46 3.23 1.9156 -3 3 1 4 47.99 1.14 1.8956 -5 1 4 4 48.16 8.90 1.8894 4 0 2 2 48.18 16.01 1.8886 1 1 4 4 48.45 13.56 1.8788 -3 3 2 4 48.51 10.58 1.8765 1 3 2 4 48.88 5.33 1.8634 3 3 0 4 49.33 1.19 1.8474 -3 1 5 4 49.87 7.72 1.8287 -4 2 4 4 49.99 2.31 1.8245 0 2 4 4 50.26 7.64 1.8153 2 2 3 4 51.08 1.21 1.7881 -1 1 5 4 51.85 11.87 1.7634 -6 0 4 2 52.09 3.29 1.7559 2 0 4 2 52.55 5.86 1.7415 3 3 1 4 53.45 3.20 1.7142 6 0 0 2 55.16 2.70 1.6650 0 4 0 2 55.81 1.49 1.6472 -6 2 2 4 55.95 9.16 1.6433 4 2 2 4 56.25 2.29 1.6355 0 4 1 4 56.51 2.27 1.6286 -6 2 3 4 57.05 7.54 1.6143 -3 3 4 4 57.11 1.48 1.6129 -1 3 4 4 57.27 1.90 1.6087 -6 2 1 4 57.77 3.94 1.5960 -2 4 1 4 57.98 2.98 1.5905 -4 0 6 2 58.07 6.53 1.5885 -2 0 6 2 58.07 5.03 1.5883 -5 3 2 4 58.18 2.52 1.5856 3 3 2 4 58.24 2.16 1.5840 2 4 0 4 58.74 1.43 1.5720 -5 3 1 4 58.74 12.49 1.5718 -7 1 2 4 58.91 5.25 1.5678 5 1 2 4 59.30 7.57 1.5584 -6 2 4 4 59.42 1.75 1.5555 0 4 2 4 59.51 1.81 1.5534 -5 3 3 4 59.52 2.69 1.5532 2 2 4 4 60.64 1.43 1.5270 -7 1 4 4 60.77 4.08 1.5241 6 2 0 4 60.91 6.19 1.5209 3 1 4 4 61.95 4.21 1.4979 -5 1 6 4 62.11 2.19 1.4945 -1 1 6 4 63.01 4.95 1.4752 -2 4 3 4 63.10 5.22 1.4732 1 3 4 4 63.80 2.61 1.4588 -6 0 6 2 64.04 3.52 1.4540 0 0 6 2 64.06 3.14 1.4535 -3 3 5 4 64.13 1.55 1.4522 4 2 3 4 64.49 6.32 1.4449 0 4 3 4 64.98 2.13 1.4352 -4 2 6 4 65.00 4.34 1.4348 7 1 0 4 65.06 7.14 1.4337 -2 2 6 4 65.09 3.09 1.4330 -4 4 1 4 65.55 3.35 1.4240 -1 3 5 4 66.07 3.12 1.4141 5 3 1 4 66.61 1.49 1.4039 6 0 2 2 66.81 1.35 1.4003 -8 0 4 2 66.96 3.18 1.3976 4 4 0 4 67.23 4.27 1.3925 -4 4 3 4 68.23 2.35 1.3746 -5 3 5 4 68.46 2.08 1.3705 -2 4 4 4 70.33 1.76 1.3386 -7 1 6 4 70.47 3.55 1.3362 -6 2 6 4 70.69 3.28 1.3325 0 2 6 4 71.48 2.37 1.3199 2 4 3 4 71.67 2.74 1.3168 -1 5 1 4 72.27 3.49 1.3073 -7 3 2 4 72.51 1.74 1.3035 1 3 5 4 73.03 3.56 1.2956 1 5 1 4 73.16 2.07 1.2937 6 2 2 4 73.34 3.49 1.2908 -8 2 4 4 73.69 2.17 1.2856 8 0 0 2 74.23 1.21 1.2776 3 3 4 4 74.62 1.04 1.2719 -4 2 7 4 75.12 1.84 1.2646 2 0 6 2 75.17 1.30 1.2639 -5 3 6 4 75.60 1.86 1.2579 -8 2 1 4 75.68 1.15 1.2567 -3 5 1 4 76.22 1.67 1.2492 4 4 2 4 76.49 1.39 1.2454 1 5 2 4 76.69 1.28 1.2427 -6 4 3 4 77.34 2.81 1.2338 -6 4 1 4 77.55 5.26 1.2310 5 1 4 4 77.60 1.75 1.2303 -7 3 5 4 77.98 1.86 1.2252 7 3 0 4 78.19 2.00 1.2225 -9 1 2 4 79.11 1.44 1.2106 -6 4 4 4 79.67 3.88 1.2035 3 5 1 4 80.00 2.16 1.1994 8 2 0 4 81.40 4.50 1.1822 2 2 6 4 81.58 4.49 1.1800 -5 1 8 4 81.68 2.56 1.1789 -3 1 8 4 82.98 1.16 1.1637 -7 3 6 4 83.41 2.47 1.1588 4 4 3 4 83.50 1.46 1.1578 7 3 1 4 83.50 4.12 1.1577 -9 1 6 4 84.25 1.46 1.1493 -2 4 6 4 84.82 1.30 1.1430 -5 5 1 4 85.49 1.13 1.1358 -5 5 3 4 86.39 1.68 1.1263 9 1 0 4 86.67 2.12 1.1234 -7 1 8 4 86.95 3.40 1.1205 -1 1 8 4 87.88 1.41 1.1110 8 0 2 2 89.27 1.14 1.0972 -6 4 6 4 89.51 2.98 1.0950 -3 5 5 4 89.93 2.67 1.0909 5 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.