Changoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R110213 Giglio M Acta Crystallographica 11 (1958) 789-794 Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit) Locality: synthetic _database_code_amcsd 0009212 CELL PARAMETERS: 10.9450 8.1950 5.5000 90.000 99.850 90.000 SPACE GROUP: P2_1/a ATOM X Y Z OCCUPANCY ISO(B) Zn 0.00000 0.00000 0.00000 1.000 0.336 Na 0.36200 0.06500 0.12800 1.000 0.336 S 0.13400 0.29400 0.37400 1.000 0.336 O 0.27200 0.26700 0.34400 1.000 0.336 O 0.07800 0.40700 0.17800 1.000 0.336 O 0.07200 0.12600 0.31500 1.000 0.336 O 0.12600 0.32000 0.64800 1.000 0.336 Wa 0.15800 0.04100 0.87000 1.000 0.336 Wa 0.42600 0.28200 0.78400 1.000 0.336 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 7 +/- 4 MAX. ABS. INTENSITY / VOLUME**2: 10.96933433 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.57 31.08 6.5247 1 1 0 16.36 14.52 5.4189 0 0 1 16.44 23.40 5.3918 2 0 0 19.64 17.94 4.5201 0 1 1 19.71 41.41 4.5043 2 1 0 20.19 19.04 4.3985 -1 1 1 21.16 36.66 4.1980 -2 0 1 22.39 21.91 3.9715 1 1 1 23.22 1.03 3.8303 1 2 0 23.81 6.16 3.7363 -2 1 1 25.21 3.82 3.5320 2 0 1 27.09 23.88 3.2918 3 1 0 27.29 100.00 3.2683 0 2 1 27.34 13.32 3.2624 2 2 0 27.50 31.09 3.2435 2 1 1 27.69 21.73 3.2215 -1 2 1 29.46 10.19 3.0321 -3 1 1 30.49 6.89 2.9323 -2 2 1 33.06 1.48 2.7095 0 0 2 33.15 1.01 2.7022 3 2 0 33.23 9.58 2.6959 4 0 0 33.50 22.95 2.6753 2 2 1 33.85 12.90 2.6480 1 3 0 34.01 1.31 2.6361 3 1 1 34.41 2.85 2.6065 -2 0 2 34.50 4.29 2.5994 -1 1 2 34.53 29.45 2.5974 -4 0 1 34.88 8.57 2.5725 0 1 2 35.15 1.71 2.5528 -3 2 1 36.85 2.51 2.4393 0 3 1 37.16 1.31 2.4196 -1 3 1 37.23 7.08 2.4153 1 1 2 38.46 3.80 2.3407 1 3 1 39.12 2.32 2.3028 3 2 1 39.35 2.68 2.2896 -2 3 1 39.56 7.84 2.2782 -1 2 2 39.63 2.21 2.2741 -3 1 2 39.70 8.37 2.2702 2 0 2 39.81 2.74 2.2642 4 0 1 39.89 12.74 2.2600 0 2 2 40.03 4.23 2.2522 4 2 0 41.80 9.83 2.1608 2 3 1 42.00 3.44 2.1512 1 2 2 43.10 9.98 2.0990 -4 0 2 43.19 2.37 2.0947 -3 3 1 43.38 10.19 2.0857 5 1 0 43.86 6.92 2.0644 -5 1 1 44.21 5.00 2.0487 0 4 0 45.04 14.32 2.0127 1 4 0 45.69 9.84 1.9858 2 2 2 46.58 11.34 1.9498 3 3 1 46.64 4.14 1.9476 3 1 2 46.96 2.27 1.9348 -1 3 2 47.25 5.57 1.9237 0 3 2 47.38 2.64 1.9188 4 3 0 47.44 2.15 1.9164 0 4 1 48.09 5.78 1.8921 -5 2 1 48.35 1.03 1.8823 -4 3 1 48.74 5.48 1.8682 -4 2 2 49.11 8.15 1.8552 1 3 2 49.35 3.31 1.8468 5 1 1 49.51 3.16 1.8412 -2 4 1 50.53 1.35 1.8063 0 0 3 50.69 1.02 1.8010 3 2 2 50.71 4.09 1.8004 -6 0 1 51.05 3.04 1.7891 -1 1 3 51.06 4.11 1.7889 -3 3 2 51.33 2.78 1.7799 3 4 0 51.57 3.85 1.7722 2 4 1 51.77 2.97 1.7660 -2 1 3 51.83 1.89 1.7640 0 1 3 52.00 1.92 1.7585 -6 1 1 52.10 3.58 1.7556 6 1 0 52.41 1.62 1.7459 2 3 2 52.76 1.25 1.7352 -3 4 1 53.25 1.46 1.7204 5 2 1 53.94 3.39 1.6999 -3 1 3 54.06 3.80 1.6963 1 1 3 54.18 1.47 1.6927 5 3 0 54.59 2.39 1.6813 -5 3 1 55.54 1.93 1.6545 -2 2 3 55.77 9.17 1.6483 -6 2 1 55.86 7.06 1.6459 6 2 0 56.30 1.41 1.6342 0 4 2 56.38 10.12 1.6318 -6 0 2 56.41 1.34 1.6312 4 4 0 56.42 1.82 1.6308 2 0 3 56.82 1.75 1.6204 1 5 0 56.97 1.63 1.6164 3 3 2 57.27 1.47 1.6086 -4 4 1 57.45 1.62 1.6039 -4 1 3 57.63 2.46 1.5994 2 1 3 57.74 1.30 1.5968 1 2 3 57.85 1.62 1.5938 6 1 1 57.94 2.30 1.5916 1 4 2 59.08 3.57 1.5635 -1 5 1 59.34 4.66 1.5573 5 3 1 59.69 3.48 1.5491 -3 4 2 60.01 8.04 1.5416 1 5 1 60.31 2.33 1.5346 5 1 2 60.47 2.19 1.5309 -5 3 2 60.68 1.44 1.5262 -7 1 1 60.85 3.48 1.5223 -1 3 3 60.91 3.16 1.5210 2 4 2 61.00 9.48 1.5190 -4 2 3 61.17 7.12 1.5152 2 2 3 61.79 3.33 1.5014 6 3 0 62.26 2.61 1.4913 3 5 0 62.40 2.10 1.4883 3 1 3 62.53 3.67 1.4854 5 4 0 62.64 2.08 1.4831 4 3 2 63.45 1.25 1.4662 -3 3 3 63.45 1.63 1.4661 -4 4 2 63.56 1.17 1.4639 1 3 3 65.09 1.29 1.4330 3 4 2 65.56 2.06 1.4239 -5 2 3 66.47 1.30 1.4067 -1 5 2 66.91 2.35 1.3985 7 1 1 67.01 1.37 1.3965 6 3 1 67.13 1.08 1.3944 4 0 3 69.37 2.36 1.3546 -1 1 4 69.55 1.36 1.3517 -2 1 4 69.58 1.50 1.3511 6 4 0 69.77 1.21 1.3480 8 0 0 69.80 1.87 1.3475 -3 5 2 70.13 5.05 1.3418 7 3 0 70.96 1.20 1.3282 -3 1 4 71.20 1.35 1.3243 -6 2 3 71.39 4.79 1.3212 -1 6 1 71.47 1.09 1.3200 4 2 3 72.42 1.07 1.3049 5 5 0 72.53 2.26 1.3032 -4 0 4 74.31 2.20 1.2764 -6 4 2 74.54 1.68 1.2731 6 4 1 75.18 1.58 1.2638 2 0 4 77.17 1.32 1.2361 7 1 2 77.90 1.44 1.2264 -5 5 2 77.91 1.18 1.2262 3 6 1 78.17 1.32 1.2227 5 2 3 78.41 1.05 1.2196 0 6 2 79.17 1.07 1.2098 -2 6 2 79.36 1.35 1.2073 -3 3 4 79.70 3.97 1.2031 8 2 1 81.29 1.31 1.1836 -7 4 2 82.32 1.07 1.1714 -6 1 4 82.47 2.65 1.1695 4 6 1 82.96 1.51 1.1639 1 7 0 83.01 1.01 1.1633 -7 3 3 83.24 1.69 1.1607 -9 1 2 84.17 1.52 1.1503 -5 6 1 85.56 2.06 1.1351 4 0 4 85.60 1.09 1.1346 -5 3 4 85.84 2.27 1.1321 8 0 2 86.28 1.29 1.1274 -7 5 1 87.59 2.86 1.1139 -5 5 3 87.79 2.53 1.1119 3 5 3 88.22 1.15 1.1076 1 4 4 88.99 1.73 1.0999 3 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.