Krausite Effenberger H, Pertlik F, Zemann J American Mineralogist 71 (1986) 202-205 Refinement of the crystal structure of krausite: a mineral with an interpolyhedral oxygen-oxygen contact shorter than the hydrogen bond _database_code_amcsd 0001008 CELL PARAMETERS: 7.9200 5.1460 9.0140 90.000 102.760 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 358.305 Density (g/cm3): 2.827 MAX. ABS. INTENSITY / VOLUME**2: 12.18344317 RIR: 1.403 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.06 4.26 8.7914 0 0 1 2 11.46 33.85 7.7244 1 0 0 2 13.48 55.33 6.5662 -1 0 1 2 19.99 5.24 4.4411 0 1 1 4 20.20 51.34 4.3957 0 0 2 2 20.74 7.67 4.2827 1 1 0 4 20.93 35.03 4.2446 -1 0 2 2 21.94 6.91 4.0503 -1 1 1 4 23.02 2.99 3.8643 -2 0 1 2 24.21 54.23 3.6769 1 1 1 4 25.43 15.11 3.5023 1 0 2 2 26.67 4.24 3.3423 0 1 2 4 27.23 19.10 3.2744 -1 1 2 4 28.89 16.10 3.0900 -2 1 1 4 28.90 100.00 3.0890 2 1 0 4 30.13 15.95 2.9658 -1 0 3 2 30.50 4.77 2.9305 0 0 3 2 30.88 5.59 2.8954 1 1 2 4 32.35 28.28 2.7678 -2 1 2 4 32.37 13.50 2.7655 2 1 1 4 34.05 3.77 2.6328 -3 0 1 2 34.08 2.74 2.6311 -2 0 3 2 34.12 1.26 2.6278 2 0 2 2 34.87 35.55 2.5730 0 2 0 2 34.92 2.44 2.5696 -1 1 3 4 35.24 36.27 2.5465 0 1 3 4 37.54 1.29 2.3956 -1 2 1 4 38.47 3.17 2.3403 2 1 2 4 39.12 11.11 2.3027 3 1 0 4 40.10 2.45 2.2487 -1 0 4 2 41.02 1.39 2.2003 -1 2 2 4 41.07 5.41 2.1978 0 0 4 2 41.25 5.51 2.1887 -3 0 3 2 42.20 12.13 2.1417 -2 2 1 4 42.20 2.87 2.1413 2 2 0 4 43.65 7.35 2.0736 1 2 2 4 44.77 5.48 2.0243 2 2 1 4 44.84 10.11 2.0212 0 1 4 4 45.01 1.03 2.0141 -3 1 3 4 45.33 1.83 2.0008 1 0 4 2 45.83 3.02 1.9800 -4 0 1 2 46.27 3.17 1.9620 -2 1 4 4 46.32 4.12 1.9601 2 1 3 4 47.06 3.00 1.9311 4 0 0 2 48.09 1.99 1.8919 3 1 2 4 49.31 3.30 1.8479 -4 1 1 4 49.54 2.24 1.8402 -3 2 1 4 49.55 7.57 1.8396 -2 2 3 4 49.58 6.67 1.8385 2 2 2 4 50.45 2.94 1.8088 -4 1 2 4 50.48 1.90 1.8080 4 1 0 4 50.58 7.90 1.8045 4 0 1 2 51.50 2.63 1.7745 -3 1 4 4 52.01 1.43 1.7583 0 0 5 2 52.18 10.54 1.7529 -2 0 5 2 52.24 1.58 1.7512 2 0 4 2 52.94 3.37 1.7294 3 2 1 4 53.79 4.47 1.7042 -4 1 3 4 54.50 1.37 1.6836 0 3 1 4 55.21 5.76 1.6638 0 1 5 4 56.22 4.90 1.6361 2 2 3 4 56.43 3.79 1.6307 1 3 1 4 58.43 1.42 1.5795 1 2 4 4 58.82 2.76 1.5700 -5 0 2 2 58.85 3.20 1.5692 -4 2 1 4 58.91 6.94 1.5677 2 3 0 4 59.07 1.11 1.5639 -4 1 4 4 59.86 1.44 1.5450 -4 2 2 4 59.87 2.38 1.5449 5 0 0 2 59.89 2.49 1.5445 4 2 0 4 60.94 2.60 1.5203 -2 3 2 4 60.95 1.37 1.5200 2 3 1 4 62.77 6.14 1.4804 0 3 3 4 62.91 6.23 1.4774 4 2 1 4 64.30 11.15 1.4487 -2 2 5 4 64.33 4.18 1.4481 3 2 3 4 64.35 6.51 1.4477 2 2 4 4 64.66 2.33 1.4415 -1 1 6 4 65.57 1.33 1.4238 2 1 5 4 66.01 5.90 1.4152 -4 1 5 4 66.33 1.21 1.4092 0 1 6 4 68.12 1.48 1.3765 -3 2 5 4 69.51 2.14 1.3522 0 3 4 4 71.69 1.05 1.3164 -6 0 2 2 73.63 5.32 1.2865 0 4 0 2 74.40 3.70 1.2751 -6 1 1 4 74.54 5.11 1.2731 4 1 4 4 74.58 1.46 1.2725 -5 1 5 4 75.73 1.20 1.2559 0 0 7 2 76.61 1.16 1.2438 -4 3 3 4 77.15 2.26 1.2363 -6 0 4 2 77.27 1.28 1.2347 0 4 2 4 77.79 2.05 1.2278 0 3 5 4 78.31 1.48 1.2210 5 1 3 4 79.85 2.07 1.2012 6 1 1 4 82.32 1.30 1.1713 -4 2 6 4 82.51 1.20 1.1691 -6 0 5 2 84.20 1.28 1.1499 -1 2 7 4 84.59 2.40 1.1456 2 2 6 4 86.05 1.18 1.1298 -1 3 6 4 87.28 1.92 1.1171 -4 3 5 4 87.55 1.05 1.1143 -6 2 4 4 89.15 1.55 1.0984 -2 1 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.