Cascandite Mellini M, Merlino S American Mineralogist 67 (1982) 604-609 The crystal structure of cascandite, CaScSi3O8(OH) _database_code_amcsd 0000868 CELL PARAMETERS: 9.7910 10.4200 7.0760 98.910 102.630 84.170 SPACE GROUP: C-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 694.221 Density (g/cm3): 3.007 MAX. ABS. INTENSITY / VOLUME**2: 5.422906234 RIR: 0.587 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.22 24.88 7.2438 1 1 0 2 12.94 5.66 6.8400 0 0 1 2 13.11 41.44 6.7530 -1 1 0 2 15.40 2.05 5.7538 -1 -1 1 2 17.27 2.51 5.1344 0 2 0 2 18.62 3.28 4.7652 2 0 0 2 19.98 2.55 4.4430 1 1 1 2 20.16 23.09 4.4055 0 -2 1 2 20.40 9.74 4.3543 -2 0 1 2 23.04 30.51 3.8607 0 2 1 2 24.58 45.53 3.6219 2 2 0 2 24.73 1.79 3.6002 -2 -2 1 2 24.88 4.80 3.5787 2 0 1 2 25.84 10.20 3.4482 -1 -1 2 2 26.05 16.13 3.4200 0 0 2 2 26.40 15.33 3.3765 -2 2 0 2 27.05 1.15 3.2960 1 3 0 2 27.55 22.88 3.2373 -1 -3 1 2 28.32 82.08 3.1518 -1 3 0 2 28.58 9.60 3.1229 -1 1 2 2 28.61 1.57 3.1198 -3 -1 1 2 28.82 3.97 3.0979 -2 0 2 2 28.82 8.18 3.0979 -2 2 1 2 28.83 78.44 3.0970 3 1 0 2 29.33 1.09 3.0448 0 -2 2 2 29.95 6.27 2.9839 1 -1 2 2 30.02 62.82 2.9765 -3 1 0 2 30.17 16.02 2.9621 2 -2 1 2 30.54 25.67 2.9273 1 -3 1 2 30.86 4.99 2.8972 -3 1 1 2 31.09 100.00 2.8769 -2 -2 2 2 31.63 94.51 2.8284 1 1 2 2 31.94 2.32 2.8019 -1 3 1 2 32.46 11.59 2.7583 1 3 1 2 33.41 22.31 2.6822 0 2 2 2 33.72 6.14 2.6581 -1 -3 2 2 34.95 10.08 2.5672 0 4 0 2 35.64 1.73 2.5194 0 -4 1 2 36.18 7.98 2.4829 -3 -3 1 2 36.86 27.74 2.4387 -3 1 2 2 37.24 17.19 2.4146 3 3 0 2 37.31 1.19 2.4099 -4 0 1 2 37.90 1.15 2.3741 -2 -4 1 2 38.26 1.03 2.3521 -1 -1 3 2 38.51 22.50 2.3377 2 -2 2 2 39.13 2.44 2.3022 0 4 1 2 39.36 2.31 2.2890 -4 -2 1 2 39.53 1.96 2.2800 0 0 3 2 39.88 21.28 2.2607 -3 -3 2 2 40.00 4.86 2.2539 -1 3 2 2 40.06 16.66 2.2510 -3 3 0 2 40.17 1.62 2.2451 -2 0 3 2 40.61 8.60 2.2215 2 2 2 2 40.97 1.78 2.2027 0 -4 2 2 41.06 8.59 2.1982 0 -2 3 2 41.09 19.96 2.1966 -2 4 0 2 41.52 3.29 2.1749 -3 3 1 2 41.74 1.26 2.1639 1 3 2 2 42.58 9.86 2.1231 -4 -2 2 2 42.76 6.36 2.1149 3 3 1 2 43.19 3.35 2.0945 -3 -1 3 2 43.94 14.37 2.0604 3 1 2 2 44.47 13.69 2.0374 1 5 0 2 44.58 1.40 2.0324 1 1 3 2 45.85 4.93 1.9793 -1 5 0 2 46.29 3.45 1.9615 -3 1 3 2 46.61 1.77 1.9486 -5 -1 1 2 46.72 3.51 1.9444 4 -2 1 2 47.08 11.41 1.9304 0 4 2 2 47.40 1.58 1.9179 -3 -3 3 2 47.64 2.55 1.9090 2 0 3 2 47.68 5.27 1.9075 -1 -5 2 2 47.93 3.54 1.8982 5 1 0 2 48.78 1.56 1.8668 2 -4 2 2 49.04 3.17 1.8577 -1 5 1 2 49.23 1.95 1.8509 -5 1 0 2 49.23 8.51 1.8509 -5 -1 2 2 49.28 1.89 1.8490 -4 0 3 2 49.48 1.59 1.8420 2 -2 3 2 49.72 3.83 1.8337 0 -4 3 2 49.82 2.79 1.8302 -2 4 2 2 50.71 1.94 1.8001 -4 -4 2 2 50.75 1.52 1.7988 -1 3 3 2 51.04 5.97 1.7894 4 0 2 2 51.23 10.15 1.7831 1 -5 2 2 51.24 2.47 1.7828 3 5 0 2 51.72 29.19 1.7674 -1 -1 4 2 51.87 6.89 1.7627 -5 1 2 2 51.99 2.06 1.7590 -3 -5 2 2 52.25 3.36 1.7507 2 4 2 2 53.03 7.57 1.7268 -2 0 4 2 53.12 1.87 1.7241 -2 -2 4 2 53.24 9.80 1.7204 -5 -3 2 2 53.29 2.53 1.7189 1 3 3 2 53.35 3.47 1.7174 5 3 0 2 53.38 1.56 1.7164 0 -6 1 2 53.54 2.56 1.7115 0 6 0 2 53.95 5.06 1.6996 4 -2 2 2 54.34 11.90 1.6883 -4 4 0 2 54.57 1.07 1.6818 -2 -6 1 2 54.63 9.52 1.6799 4 2 2 2 54.76 5.82 1.6762 -1 -5 3 2 54.91 1.08 1.6720 -3 5 0 2 55.31 1.49 1.6610 -4 4 1 2 55.68 6.22 1.6507 -1 5 2 2 55.70 4.05 1.6503 4 4 1 2 55.74 3.37 1.6490 -3 3 3 2 56.58 4.96 1.6265 1 5 2 2 56.76 2.97 1.6218 0 -6 2 2 56.88 9.25 1.6187 -2 -6 2 2 56.91 1.73 1.6180 4 -4 1 2 56.92 4.93 1.6177 -5 3 0 2 57.62 1.58 1.5997 -3 -3 4 2 57.62 4.46 1.5996 0 4 3 2 57.63 1.40 1.5994 2 -4 3 2 57.77 1.03 1.5959 -6 -2 1 2 58.07 6.30 1.5884 6 0 0 2 58.57 5.44 1.5759 -2 6 0 2 58.83 2.30 1.5697 -6 0 2 2 59.02 1.07 1.5651 1 -5 3 2 59.17 13.75 1.5614 -2 2 4 2 59.24 5.27 1.5599 -6 -2 2 2 59.33 1.72 1.5577 -4 -2 4 2 59.42 1.04 1.5554 -2 -4 4 2 59.70 1.66 1.5490 -4 0 4 2 59.70 3.00 1.5489 -4 4 2 2 60.05 1.96 1.5407 1 -3 4 2 60.55 2.39 1.5292 -5 3 2 2 60.85 4.13 1.5224 0 -4 4 2 60.96 3.56 1.5198 5 -1 2 2 61.06 3.05 1.5176 5 1 2 2 61.25 2.48 1.5132 2 0 4 2 61.69 1.37 1.5037 3 -5 2 2 62.22 3.17 1.4920 2 -2 4 2 62.48 2.17 1.4866 -2 -6 3 2 62.73 3.47 1.4810 4 -4 2 2 63.02 4.32 1.4749 -5 -5 2 2 63.48 3.46 1.4655 1 7 0 2 63.57 1.42 1.4636 2 -6 2 2 63.97 1.65 1.4555 -6 -2 3 2 63.98 1.43 1.4552 4 4 2 2 64.08 5.57 1.4531 0 6 2 2 64.17 3.24 1.4514 -6 0 3 2 64.31 10.55 1.4486 -6 2 2 2 64.34 3.64 1.4478 3 5 2 2 64.36 3.58 1.4475 -5 -1 4 2 64.55 2.54 1.4438 -1 -5 4 2 64.67 2.02 1.4412 -6 -4 1 2 64.80 5.26 1.4387 4 6 0 2 64.81 2.38 1.4385 -4 -4 4 2 64.87 4.50 1.4374 -1 -7 2 2 65.03 3.53 1.4341 1 -7 1 2 66.07 1.39 1.4142 2 2 4 2 66.52 4.46 1.4057 1 3 4 2 66.63 10.91 1.4036 5 -3 2 2 66.81 1.34 1.4002 -3 3 4 2 67.08 14.17 1.3953 6 4 0 2 67.18 1.38 1.3934 -2 0 5 2 67.21 1.07 1.3929 -5 -5 3 2 67.97 1.73 1.3792 2 6 2 2 68.75 3.23 1.3654 -1 -3 5 2 68.84 3.53 1.3638 2 -4 4 2 68.93 2.59 1.3622 7 1 0 2 69.31 1.22 1.3557 -1 1 5 2 70.18 3.39 1.3411 0 4 4 2 70.27 1.24 1.3396 -1 -7 3 2 70.39 3.19 1.3375 -7 1 0 2 70.53 3.60 1.3353 -2 4 4 2 70.73 4.61 1.3320 -7 1 2 2 70.91 1.53 1.3291 -2 -6 4 2 71.01 3.17 1.3273 5 -1 3 2 71.05 1.73 1.3267 -7 -3 2 2 71.72 3.32 1.3159 -2 -4 5 2 72.95 2.81 1.2968 7 3 0 2 73.13 1.13 1.2940 0 -8 1 2 73.15 2.24 1.2938 6 -2 2 2 73.73 4.68 1.2850 -2 -8 1 2 73.82 2.21 1.2836 0 8 0 2 73.92 1.73 1.2822 0 -4 5 2 73.92 1.93 1.2821 1 -3 5 2 73.94 1.20 1.2819 7 1 1 2 74.63 1.34 1.2718 1 7 2 2 75.16 1.98 1.2640 -2 -8 2 2 75.25 1.03 1.2628 -2 6 3 2 75.31 1.62 1.2619 2 8 0 2 75.79 1.79 1.2552 -4 -4 5 2 76.25 1.06 1.2487 -6 -4 4 2 76.44 6.71 1.2460 -5 3 4 2 76.60 2.72 1.2439 -1 -5 5 2 76.84 1.10 1.2406 -1 5 4 2 77.01 1.80 1.2383 -5 -7 1 2 78.74 1.02 1.2153 4 2 4 2 79.46 1.62 1.2062 -5 1 5 2 79.62 2.18 1.2041 5 7 0 2 80.18 1.49 1.1971 3 -5 4 2 80.43 1.10 1.1939 -3 5 4 2 80.65 1.58 1.1913 8 0 0 2 81.22 1.38 1.1844 2 2 5 2 83.37 1.01 1.1593 1 -7 4 2 83.43 2.19 1.1586 5 -1 4 2 84.24 1.51 1.1494 -3 -3 6 2 85.10 2.44 1.1400 0 0 6 2 85.37 1.75 1.1371 -4 -2 6 2 85.60 1.15 1.1347 -1 1 6 2 86.46 1.92 1.1255 -6 6 0 2 86.51 2.33 1.1250 -5 7 0 2 86.91 1.92 1.1208 -5 -7 4 2 86.94 2.08 1.1206 -2 8 2 2 87.90 2.17 1.1108 3 5 4 2 88.08 2.48 1.1090 -7 -5 4 2 88.27 1.38 1.1070 5 -7 1 2 88.56 1.84 1.1042 1 -9 2 2 89.08 1.83 1.0991 -8 -2 4 2 89.13 1.03 1.0987 3 9 0 2 89.54 1.13 1.0947 -1 -9 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.