Katiarsite Mayo S C, Thomas P A, Teat S J, Loiacono G M, Loiacono D N Acta Crystallographica B50 (1994) 655-662 Structure and non-linear optical properties of KTiOAsO4 Locality: synthetic _database_code_amcsd 0020226 CELL PARAMETERS: 13.1380 6.5820 10.7870 90.000 90.000 90.000 SPACE GROUP: Pna2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 932.798 Density (g/cm3): 3.444 MAX. ABS. INTENSITY / VOLUME**2: 14.18395785 RIR: 1.341 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.48 4.87 6.5690 2 0 0 2 15.05 21.33 5.8848 1 1 0 4 15.77 100.00 5.6186 0 1 1 2 15.80 83.87 5.6105 2 0 1 2 17.16 13.53 5.1660 1 1 1 4 20.80 2.81 4.2698 2 1 1 4 21.32 25.46 4.1685 2 0 2 2 22.36 9.33 3.9761 1 1 2 4 24.41 34.18 3.6460 3 1 0 4 25.29 24.68 3.5216 2 1 2 4 25.79 24.30 3.4541 3 1 1 4 28.28 56.93 3.1555 0 1 3 2 28.30 55.55 3.1541 2 0 3 2 28.41 14.62 3.1421 4 0 1 2 29.10 9.24 3.0683 1 1 3 4 29.17 20.02 3.0611 1 2 1 4 30.38 13.05 2.9424 2 2 0 4 31.45 7.41 2.8444 2 1 3 4 31.52 52.74 2.8387 2 2 1 4 31.55 75.31 2.8356 4 1 1 4 31.85 67.35 2.8093 0 2 2 2 31.90 46.62 2.8053 4 0 2 2 32.59 3.96 2.7472 1 2 2 4 33.22 30.78 2.6967 0 0 4 1 34.73 8.62 2.5830 2 2 2 4 35.05 3.25 2.5601 3 1 3 4 35.11 7.13 2.5560 3 2 1 4 36.66 2.52 2.4516 1 1 4 4 36.83 2.11 2.4403 5 1 0 4 37.07 3.79 2.4251 4 0 3 2 39.58 6.79 2.2771 2 2 3 4 39.61 6.57 2.2755 4 1 3 4 39.66 9.30 2.2726 4 2 1 4 40.58 26.55 2.2233 5 1 2 4 41.66 9.13 2.1681 3 1 4 4 42.58 9.53 2.1233 3 2 3 4 42.61 3.20 2.1218 1 3 1 4 43.38 7.11 2.0859 0 2 4 2 43.42 6.39 2.0842 4 0 4 2 44.18 5.60 2.0501 0 1 5 2 44.19 4.03 2.0497 2 0 5 2 44.74 1.07 2.0256 1 1 5 4 44.94 8.60 2.0172 5 2 1 4 45.14 6.50 2.0084 1 3 2 4 45.63 1.67 1.9881 2 2 4 4 46.28 2.50 1.9616 3 3 0 4 46.52 6.96 1.9523 4 2 3 4 46.79 1.47 1.9415 2 3 2 4 46.86 1.84 1.9388 6 1 2 4 47.09 2.65 1.9299 3 3 1 4 48.61 5.35 1.8729 0 3 3 2 48.69 2.76 1.8702 6 0 3 2 49.06 1.79 1.8567 3 1 5 4 49.44 11.69 1.8435 3 3 2 4 50.03 4.61 1.8230 6 2 0 4 50.43 7.32 1.8095 5 1 4 4 50.57 1.61 1.8049 7 1 0 4 50.62 1.99 1.8032 4 0 5 2 50.68 2.12 1.8011 2 3 3 4 50.75 1.74 1.7989 4 3 1 4 51.10 3.69 1.7875 1 2 5 4 51.23 6.12 1.7831 5 2 3 4 51.32 6.06 1.7802 7 1 1 4 51.93 23.33 1.7608 4 2 4 4 52.60 9.20 1.7398 2 2 5 4 52.63 11.02 1.7391 4 1 5 4 52.79 2.60 1.7341 2 0 6 2 53.02 3.58 1.7270 6 2 2 4 53.19 4.24 1.7220 3 3 3 4 53.94 2.01 1.6999 6 0 4 2 54.36 3.46 1.6878 1 3 4 4 54.49 13.77 1.6841 5 3 0 4 55.05 2.59 1.6682 3 2 5 4 55.87 5.84 1.6455 0 4 0 2 55.99 6.49 1.6422 8 0 0 2 56.57 2.17 1.6270 4 3 3 4 57.05 2.69 1.6144 1 4 1 4 57.10 6.83 1.6131 7 1 3 4 57.14 2.36 1.6121 7 2 1 4 57.76 3.75 1.5962 2 4 0 4 58.15 2.02 1.5863 3 3 4 4 58.35 2.88 1.5814 4 2 5 4 58.45 4.79 1.5790 2 4 1 4 58.50 10.39 1.5778 0 2 6 2 58.53 6.61 1.5770 4 0 6 2 58.56 3.83 1.5763 8 1 1 4 58.66 3.16 1.5739 0 4 2 2 58.77 5.60 1.5710 8 0 2 2 60.61 1.74 1.5279 1 3 5 4 60.74 1.90 1.5249 3 4 1 4 61.39 3.66 1.5103 6 2 4 4 61.83 7.36 1.5004 0 1 7 2 61.84 6.14 1.5003 2 0 7 2 61.86 3.49 1.5000 7 1 4 4 61.96 1.37 1.4978 2 3 5 4 62.28 1.22 1.4907 1 1 7 4 62.56 2.65 1.4849 7 2 3 4 63.29 3.31 1.4695 8 2 0 4 63.80 5.12 1.4589 2 4 3 4 63.86 1.91 1.4577 4 4 1 4 63.90 5.99 1.4568 8 1 3 4 64.36 7.00 1.4474 5 1 6 4 65.33 20.35 1.4284 5 3 4 4 65.50 3.44 1.4251 9 1 0 4 65.59 1.29 1.4233 6 3 3 4 65.80 1.33 1.4193 4 4 2 4 65.88 1.15 1.4178 8 2 2 4 65.98 2.76 1.4159 3 4 3 4 66.08 2.03 1.4139 7 3 1 4 66.14 2.13 1.4129 9 1 1 4 66.57 1.23 1.4047 0 4 4 2 67.20 2.52 1.3931 4 3 5 4 67.68 4.93 1.3843 7 1 5 4 67.76 1.03 1.3829 1 3 6 4 67.99 4.01 1.3788 7 3 2 4 68.28 4.18 1.3736 2 4 4 4 68.79 1.09 1.3648 4 1 7 4 68.97 1.68 1.3616 4 4 3 4 69.74 4.56 1.3484 0 0 8 1 70.87 1.74 1.3297 3 2 7 4 71.11 5.37 1.3257 7 3 3 4 71.13 4.26 1.3254 3 3 6 4 71.17 2.20 1.3249 9 1 3 4 71.20 1.72 1.3243 9 2 1 4 71.83 1.07 1.3143 1 1 8 4 71.86 1.25 1.3138 10 0 0 2 72.62 2.24 1.3019 1 4 5 4 72.70 1.47 1.3007 7 2 5 4 72.73 4.75 1.3002 5 4 3 4 73.30 2.02 1.2915 4 4 4 4 73.38 6.93 1.2903 8 2 4 4 73.77 1.97 1.2844 4 2 7 4 73.85 1.81 1.2832 2 4 5 4 73.95 2.10 1.2817 8 1 5 4 73.96 3.57 1.2816 2 5 1 4 74.20 3.56 1.2780 6 4 2 4 75.12 1.57 1.2647 3 1 8 4 75.40 2.19 1.2607 3 5 0 4 76.00 1.15 1.2522 3 5 1 4 76.32 1.68 1.2477 0 2 8 2 76.35 2.58 1.2474 4 0 8 2 77.43 2.63 1.2325 5 2 7 4 77.68 1.95 1.2292 7 4 1 4 78.73 1.01 1.2155 4 4 5 4 78.74 1.16 1.2153 9 3 0 4 78.78 1.27 1.2148 2 5 3 4 78.86 1.45 1.2138 0 4 6 2 78.96 2.23 1.2125 8 0 6 2 79.02 1.54 1.2118 3 3 7 4 79.34 1.21 1.2077 9 3 1 4 80.78 2.16 1.1897 7 3 5 4 80.83 1.70 1.1891 9 1 5 4 81.12 4.38 1.1856 9 3 2 4 81.65 1.80 1.1792 0 1 9 2 82.74 2.71 1.1664 4 2 8 4 84.07 1.42 1.1514 9 3 3 4 84.20 2.52 1.1499 5 5 2 4 84.35 3.35 1.1482 11 1 2 4 84.91 1.40 1.1420 3 5 4 4 86.79 1.40 1.1221 6 5 1 4 87.25 2.24 1.1173 7 3 6 4 87.98 1.34 1.1100 2 2 9 4 88.00 1.14 1.1098 4 1 9 4 88.11 1.85 1.1086 2 4 7 4 88.21 3.21 1.1077 8 1 7 4 89.30 1.26 1.0970 0 6 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.