IrSe2 Wyckoff R W G Crystal Structures 1 (1963) 239-444 Second edition. Interscience Publishers, New York, New York _database_code_amcsd 0011775 CELL PARAMETERS: 20.9400 5.9300 3.7400 90.000 90.000 90.000 SPACE GROUP: Pnam X-RAY WAVELENGTH: 1.541838 Cell Volume: 464.411 Density (g/cm3): 10.014 MAX. ABS. INTENSITY / VOLUME**2: 166.2178880 RIR: 5.405 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.45 10.84 10.4700 2 0 0 2 15.53 25.97 5.7056 1 1 0 4 17.19 2.25 5.1599 2 1 0 4 19.64 44.44 4.5193 3 1 0 4 22.66 25.87 3.9245 4 1 0 4 25.52 1.95 3.4900 6 0 0 2 26.05 48.05 3.4209 5 1 0 4 28.21 2.17 3.1634 0 1 1 4 28.54 12.67 3.1279 1 1 1 8 29.35 100.00 3.0432 4 0 1 4 30.14 16.97 2.9650 0 2 0 2 30.45 16.56 2.9357 1 2 0 4 31.36 3.04 2.8528 2 2 0 4 33.09 41.59 2.7075 4 1 1 8 34.77 22.86 2.5799 4 2 0 4 35.17 12.37 2.5516 6 0 1 4 35.57 21.09 2.5242 5 1 1 8 37.15 17.57 2.4199 5 2 0 4 37.56 1.32 2.3946 8 1 0 4 38.41 1.50 2.3438 6 1 1 8 39.00 3.19 2.3093 1 2 1 8 39.90 1.22 2.2596 6 2 0 4 40.94 4.38 2.2045 3 2 1 8 41.55 18.47 2.1735 7 1 1 8 41.70 2.59 2.1659 9 1 0 4 42.14 1.41 2.1445 8 0 1 4 42.57 29.25 2.1237 4 2 1 8 43.20 3.12 2.0940 10 0 0 2 44.60 26.40 2.0317 5 2 1 8 44.95 15.09 2.0167 8 1 1 8 46.27 7.93 1.9623 8 2 0 4 46.98 1.72 1.9340 6 2 1 8 47.83 1.21 1.9019 3 3 0 4 48.57 61.82 1.8743 9 1 1 8 48.69 33.58 1.8700 0 0 2 2 49.28 16.86 1.8492 4 3 0 4 49.82 10.88 1.8304 9 2 0 4 49.91 5.84 1.8271 10 0 1 4 51.10 2.17 1.7876 5 3 0 4 51.42 2.07 1.7770 1 1 2 8 52.35 36.55 1.7476 0 3 1 4 52.55 3.67 1.7415 1 3 1 8 52.99 5.48 1.7279 3 1 2 8 53.26 1.31 1.7200 6 3 0 4 54.10 3.37 1.6953 3 3 1 8 54.34 4.14 1.6882 4 1 2 8 55.43 1.01 1.6577 4 3 1 8 55.93 4.64 1.6441 9 2 1 8 56.05 9.73 1.6408 5 1 2 8 57.11 3.21 1.6128 5 3 1 8 58.34 4.41 1.5817 0 2 2 4 58.35 1.30 1.5813 12 0 1 4 58.51 1.11 1.5774 8 3 0 4 58.52 4.37 1.5772 1 2 2 8 59.46 14.81 1.5544 13 1 0 4 60.60 2.08 1.5279 12 1 1 8 61.22 7.94 1.5141 4 2 2 8 61.56 1.39 1.5064 9 3 0 4 61.68 2.01 1.5039 12 2 0 4 62.05 1.76 1.4957 14 0 0 2 62.80 6.64 1.4797 5 2 2 8 64.22 2.37 1.4503 14 1 0 4 64.87 1.75 1.4374 10 3 0 4 66.00 1.13 1.4154 9 1 2 8 67.08 1.14 1.3953 12 2 1 8 67.11 1.39 1.3948 10 0 2 4 68.19 1.76 1.3752 1 4 1 8 69.43 3.94 1.3537 8 2 2 8 69.52 2.75 1.3521 3 4 1 8 70.14 2.88 1.3417 10 3 1 8 70.95 2.10 1.3283 7 4 0 4 71.23 4.39 1.3238 13 2 1 8 71.79 9.19 1.3149 4 3 2 8 72.16 3.28 1.3091 5 4 1 8 72.18 2.25 1.3088 16 0 0 2 72.22 1.05 1.3082 12 3 0 4 72.22 6.05 1.3081 9 2 2 8 73.26 1.26 1.2922 5 3 2 8 75.61 3.34 1.2577 14 2 1 8 76.14 8.87 1.2503 9 4 0 4 78.94 4.29 1.2128 4 0 3 4 80.32 10.71 1.1954 13 1 2 8 80.91 2.60 1.1882 4 1 3 8 82.17 1.11 1.1731 9 3 2 8 82.27 1.65 1.1719 12 2 2 8 82.32 1.43 1.1713 5 1 3 8 82.60 1.36 1.1680 14 0 2 4 83.01 1.03 1.1633 18 0 0 2 83.59 2.95 1.1567 4 5 0 4 84.39 1.71 1.1478 17 1 1 8 84.55 1.97 1.1460 14 1 2 8 84.96 1.05 1.1416 18 1 0 4 85.00 1.25 1.1411 5 5 0 4 85.14 1.44 1.1396 10 3 2 8 85.44 3.08 1.1363 14 3 1 8 85.99 4.24 1.1305 0 5 1 4 86.07 1.77 1.1297 7 1 3 8 86.61 1.49 1.1240 2 5 1 8 86.75 2.73 1.1225 4 2 3 8 88.15 2.76 1.1082 5 2 3 8 88.40 1.68 1.1058 8 1 3 8 88.48 1.06 1.1050 4 5 1 8 89.83 1.46 1.0918 18 1 1 8 89.87 1.36 1.0915 5 5 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.