Krotite Horkner W, Muller-Buschbaum H Journal of Inorganic and Nuclear Chemistry 38 (1976) 983-984 Zur kristallstruktur von CaAl2O4 Note: beryllonite structure Locality: synthetic _database_code_amcsd 0017810 CELL PARAMETERS: 8.7000 8.0920 15.1910 90.000 90.170 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1069.448 Density (g/cm3): 2.944 MAX. ABS. INTENSITY / VOLUME**2: 5.380210076 RIR: 0.595 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.95 3.66 5.9252 1 1 0 4 16.00 3.62 5.5380 0 1 2 4 16.04 4.57 5.5239 -1 1 1 4 16.07 4.86 5.5164 1 1 1 4 18.98 24.25 4.6764 -1 1 2 4 19.01 27.28 4.6672 1 1 2 4 20.27 1.50 4.3820 -1 0 3 2 20.32 1.21 4.3707 1 0 3 2 21.97 20.10 4.0460 0 2 0 2 22.74 3.48 3.9097 0 2 1 4 23.08 1.43 3.8533 -1 1 3 4 23.22 1.87 3.8315 2 1 0 4 23.54 1.48 3.7796 -2 0 2 2 23.60 1.48 3.7699 2 0 2 2 23.94 8.71 3.7174 -2 1 1 4 23.97 20.88 3.7128 2 1 1 4 24.93 1.72 3.5710 0 2 2 4 25.92 2.73 3.4379 0 1 4 4 26.02 3.50 3.4245 -2 1 2 4 26.08 2.92 3.4173 2 1 2 4 26.98 7.77 3.3051 -1 2 2 4 27.00 6.86 3.3019 1 2 2 4 27.88 4.06 3.2003 -1 1 4 4 27.93 16.98 3.1944 1 1 4 4 28.23 8.79 3.1609 0 2 3 4 29.19 12.60 3.0592 -2 1 3 4 29.27 1.45 3.0515 2 1 3 4 30.06 95.44 2.9727 -1 2 3 4 30.10 100.00 2.9691 1 2 3 4 30.17 93.65 2.9626 2 2 0 4 30.74 11.75 2.9089 -2 2 1 4 30.76 2.75 2.9067 2 2 1 4 31.15 8.66 2.8710 -1 0 5 2 31.21 2.98 2.8657 1 0 5 2 31.22 1.41 2.8651 -2 0 4 2 31.31 9.17 2.8567 2 0 4 2 31.39 12.17 2.8501 -3 0 1 2 31.42 2.78 2.8470 3 0 1 2 31.45 1.76 2.8443 0 1 5 4 32.33 1.13 2.7690 0 2 4 4 32.42 1.78 2.7620 -2 2 2 4 32.46 2.17 2.7582 2 2 2 4 32.81 1.00 2.7300 3 1 0 4 33.26 1.02 2.6937 2 1 4 4 33.95 1.69 2.6402 -1 2 4 4 34.82 3.02 2.5763 1 3 0 4 35.46 50.14 2.5318 0 0 6 2 35.63 40.18 2.5197 -3 0 3 2 35.73 38.39 2.5133 3 0 3 2 36.85 8.70 2.4392 1 3 2 4 37.21 25.26 2.4163 0 1 6 4 37.38 23.00 2.4058 -3 1 3 4 37.47 28.84 2.4002 3 1 3 4 37.74 8.85 2.3836 -2 1 5 4 37.79 2.45 2.3806 0 3 3 4 38.45 2.03 2.3414 -1 2 5 4 38.50 1.33 2.3385 1 2 5 4 38.50 4.37 2.3382 -2 2 4 4 38.58 2.26 2.3336 2 2 4 4 38.64 3.36 2.3300 -3 2 1 4 38.67 1.94 2.3283 3 2 1 4 38.70 9.86 2.3265 1 1 6 4 39.22 2.93 2.2970 -1 3 3 4 39.25 2.92 2.2954 1 3 3 4 39.30 4.75 2.2924 2 3 0 4 39.76 12.96 2.2672 -2 3 1 4 40.65 1.67 2.2196 -3 1 4 4 41.04 9.24 2.1991 0 3 4 4 41.11 7.15 2.1956 -2 3 2 4 41.15 7.65 2.1937 2 3 2 4 41.20 3.47 2.1910 -2 0 6 2 41.31 4.60 2.1854 2 0 6 2 41.52 5.03 2.1750 4 0 0 2 42.10 2.77 2.1462 0 2 6 4 42.25 1.98 2.1389 -3 2 3 4 42.34 5.50 2.1349 3 2 3 4 42.38 9.34 2.1329 -1 3 4 4 42.41 2.30 2.1312 1 3 4 4 42.92 2.90 2.1071 -1 0 7 2 43.06 2.66 2.1009 -3 0 5 2 43.16 1.24 2.0961 0 1 7 4 43.19 2.03 2.0947 3 0 5 2 43.23 1.53 2.0926 -4 0 2 2 43.31 1.52 2.0893 4 0 2 2 43.35 1.80 2.0871 2 3 3 4 43.51 6.05 2.0798 4 1 1 4 44.80 21.36 2.0230 0 4 0 2 45.22 3.84 2.0053 0 4 1 4 46.18 1.31 1.9658 -1 3 5 4 46.22 1.12 1.9641 1 3 5 4 46.23 2.34 1.9639 -2 3 4 4 46.29 1.88 1.9612 2 3 4 4 46.35 1.88 1.9591 -3 3 1 4 46.37 3.49 1.9581 3 3 1 4 46.78 4.23 1.9421 -4 1 3 4 46.88 1.47 1.9382 4 1 3 4 47.17 19.93 1.9266 -2 2 6 4 47.27 21.05 1.9228 2 2 6 4 47.46 21.12 1.9157 4 2 0 4 49.01 1.04 1.8587 -4 2 2 4 49.15 2.22 1.8538 3 1 6 4 49.37 1.82 1.8460 0 3 6 4 49.50 2.41 1.8413 -3 3 3 4 49.57 1.96 1.8388 3 3 3 4 49.63 3.31 1.8367 -1 4 3 4 49.66 2.40 1.8359 1 4 3 4 49.70 3.20 1.8343 2 4 0 4 49.79 1.59 1.8313 -2 3 5 4 49.87 3.39 1.8286 2 3 5 4 50.52 1.38 1.8066 -1 3 6 4 51.16 1.21 1.7855 0 4 4 4 52.16 1.03 1.7537 -3 3 4 4 52.20 2.18 1.7524 -2 2 7 4 52.29 1.96 1.7495 -1 4 4 4 52.31 1.60 1.7490 2 2 7 4 52.32 1.36 1.7485 1 4 4 4 52.53 1.40 1.7422 -2 0 8 2 52.76 1.18 1.7350 3 0 7 2 52.95 1.28 1.7293 -5 0 1 2 53.02 1.01 1.7272 -3 2 6 4 53.13 1.35 1.7240 2 4 3 4 53.91 1.70 1.7006 -2 3 6 4 54.00 1.62 1.6980 2 3 6 4 54.17 1.06 1.6931 4 3 0 4 54.55 6.58 1.6823 4 3 1 4 55.31 1.87 1.6610 -5 1 2 4 55.33 1.99 1.6605 -1 3 7 4 55.37 1.23 1.6592 3 4 0 4 55.38 2.58 1.6591 1 3 7 4 55.44 1.93 1.6575 -3 3 5 4 55.49 1.15 1.6561 1 0 9 2 55.55 3.08 1.6544 3 3 5 4 55.58 2.25 1.6534 -4 3 2 4 55.61 2.02 1.6527 1 4 5 4 55.61 1.48 1.6526 -2 4 4 4 55.63 1.44 1.6522 -4 0 6 2 55.64 1.35 1.6518 4 3 2 4 55.74 1.45 1.6491 3 4 1 4 55.93 1.73 1.6441 5 0 3 2 56.77 1.13 1.6215 -3 4 2 4 56.82 1.07 1.6204 3 4 2 4 57.34 2.34 1.6069 -4 3 3 4 57.43 2.69 1.6046 4 3 3 4 58.29 1.99 1.5829 0 5 2 4 58.31 2.74 1.5825 -1 5 1 4 58.31 3.00 1.5824 1 5 1 4 58.39 3.77 1.5804 0 4 6 4 58.51 2.62 1.5775 -3 4 3 4 58.57 3.88 1.5759 3 4 3 4 58.62 5.43 1.5747 2 3 7 4 58.84 1.26 1.5695 2 4 5 4 59.02 1.08 1.5650 -5 2 2 4 59.09 1.11 1.5633 5 2 2 4 59.28 5.11 1.5588 -3 3 6 4 59.34 2.63 1.5575 -1 5 2 4 59.36 2.02 1.5568 3 1 8 4 59.41 1.31 1.5557 3 3 6 4 59.42 1.20 1.5555 -1 4 6 4 59.54 1.19 1.5527 0 3 8 4 59.62 1.05 1.5508 5 1 4 4 59.82 4.44 1.5461 -2 1 9 4 59.86 2.53 1.5451 4 3 4 4 60.33 6.88 1.5341 -1 2 9 4 60.40 13.14 1.5326 1 2 9 4 60.53 10.31 1.5296 -4 2 6 4 60.55 7.06 1.5292 -1 3 8 4 60.70 8.03 1.5258 4 2 6 4 60.71 8.36 1.5255 -5 2 3 4 60.82 11.07 1.5231 5 2 3 4 60.89 1.26 1.5214 -3 4 4 4 60.98 1.12 1.5195 3 4 4 4 61.03 6.81 1.5182 -1 5 3 4 61.06 6.31 1.5177 1 5 3 4 61.09 4.23 1.5168 2 5 0 4 61.42 1.23 1.5095 -2 5 1 4 61.44 3.43 1.5092 2 5 1 4 62.42 1.46 1.4877 -2 5 2 4 62.49 1.15 1.4863 -2 4 6 4 62.57 2.29 1.4846 2 4 6 4 62.72 1.33 1.4813 4 4 0 4 62.76 4.85 1.4804 -4 3 5 4 62.80 1.28 1.4798 0 4 7 4 63.04 1.47 1.4746 -4 4 1 4 63.22 1.32 1.4708 1 1 10 4 63.37 1.12 1.4678 -1 5 4 4 63.39 3.36 1.4672 1 5 4 4 63.71 16.91 1.4607 -3 0 9 2 63.90 18.84 1.4569 3 0 9 2 64.07 1.05 1.4534 -2 5 3 4 64.24 17.30 1.4500 6 0 0 2 64.83 1.19 1.4381 -4 2 7 4 64.92 4.01 1.4365 -5 3 2 4 65.10 2.40 1.4328 2 0 10 2 65.12 1.50 1.4325 -4 0 8 2 65.20 1.12 1.4308 0 3 9 4 65.58 1.82 1.4235 6 0 2 2 66.08 1.81 1.4139 -5 1 6 4 66.39 1.12 1.4081 2 5 4 4 66.52 1.30 1.4057 -5 3 3 4 66.62 1.03 1.4038 5 3 3 4 68.22 1.24 1.3748 -6 1 3 4 68.27 2.83 1.3739 -3 2 9 4 68.45 1.79 1.3707 3 2 9 4 68.77 2.22 1.3650 6 2 0 4 68.87 2.67 1.3634 5 3 4 4 69.20 1.75 1.3577 -2 5 5 4 69.30 1.26 1.3560 -6 0 4 2 69.48 1.63 1.3529 -2 2 10 4 69.62 1.12 1.3504 -4 2 8 4 69.83 1.70 1.3468 1 5 6 4 70.04 4.47 1.3434 0 6 1 4 70.64 1.53 1.3334 4 3 7 4 72.16 1.40 1.3091 -1 3 10 4 72.63 1.59 1.3018 -2 5 6 4 72.70 1.61 1.3006 2 5 6 4 72.73 1.78 1.3003 -2 1 11 4 72.85 2.17 1.2984 4 5 0 4 73.17 2.66 1.2935 4 5 1 4 73.71 1.03 1.2853 5 2 7 4 73.97 1.53 1.2815 1 4 9 4 74.09 1.56 1.2797 -4 4 6 4 74.35 1.93 1.2759 5 4 3 4 75.03 2.08 1.2659 0 0 12 2 75.45 1.65 1.2599 -6 0 6 2 75.68 3.34 1.2566 6 0 6 2 76.53 1.25 1.2449 -6 1 6 4 77.74 1.02 1.2284 7 1 0 4 80.73 1.53 1.1903 0 6 6 4 80.83 1.32 1.1891 -3 6 3 4 80.89 1.74 1.1884 3 6 3 4 81.11 3.26 1.1857 -2 5 8 4 81.17 1.80 1.1850 -3 5 7 4 81.21 2.01 1.1845 2 5 8 4 81.23 2.10 1.1842 -3 4 9 4 81.30 4.78 1.1835 3 5 7 4 81.40 2.55 1.1822 3 4 9 4 81.45 2.93 1.1816 -5 5 1 4 81.48 2.59 1.1813 5 5 1 4 81.62 1.04 1.1796 -1 6 6 4 81.71 2.31 1.1785 6 4 0 4 82.87 3.38 1.1649 -2 2 12 4 83.02 2.27 1.1632 2 2 12 4 83.11 2.19 1.1622 -5 2 9 4 83.39 4.37 1.1590 5 2 9 4 83.53 2.89 1.1574 -7 2 3 4 83.64 1.40 1.1562 -4 5 6 4 83.66 2.79 1.1559 7 2 3 4 85.98 1.18 1.1306 5 5 4 4 86.15 1.06 1.1288 -2 5 9 4 87.29 1.99 1.1170 -7 3 2 4 88.65 1.47 1.1033 5 5 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.