Georgechaoite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R100082 Ghose S, Thakur P The Canadian Mineralogist 23 (1985) 5-10 The crystal structure of georgechaoite NaKZrSi3O9.2H2O _database_code_amcsd 0005200 CELL PARAMETERS: 11.7710 12.8580 6.6950 90.000 90.000 90.000 SPACE GROUP: P2_1nb ATOM X Y Z OCCUPANCY ISO(B) Na -0.00410 0.38910 0.32870 1.000 2.263 K 0.75150 0.14990 0.41360 1.000 3.264 Zr 0.24990 0.05210 0.14680 1.000 0.782 Si 0.28200 0.28690 0.38830 1.000 0.374 Si 0.49810 0.41650 0.39110 1.000 0.384 Si 0.71160 0.39100 0.14590 1.000 0.495 O 0.21630 0.39390 0.36270 1.000 1.000 O 0.41600 0.31500 0.41960 1.000 1.026 O 0.74240 0.27090 0.09400 1.000 1.211 O 0.26930 0.20830 0.20520 1.000 0.869 O 0.42000 0.01550 0.15420 1.000 0.895 O 0.57610 0.39100 0.19530 1.000 1.132 O 0.07560 0.07060 0.08820 1.000 4.132 O 0.23470 0.03780 0.45490 1.000 1.026 O 0.77860 0.42730 0.34110 1.000 0.842 O 0.52650 0.12710 0.47530 1.000 3.711 O 0.97180 0.20610 0.37140 1.000 3.974 H 0.48400 0.19000 0.42500 1.000 0.790 H 0.49800 0.06300 0.40600 1.000 0.790 H 0.01600 0.18400 0.49000 1.000 0.790 H 0.00000 0.17000 0.25500 1.000 0.790 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 11 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 11.25603498 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.77 21.29 6.4290 0 2 0 14.92 36.66 5.9382 0 1 1 15.05 100.00 5.8855 2 0 0 15.22 44.80 5.8195 1 0 1 15.71 41.62 5.6423 1 2 0 16.72 5.52 5.3018 1 1 1 19.14 3.11 4.6372 0 2 1 20.46 6.82 4.3411 2 2 0 20.59 20.16 4.3145 1 2 1 21.25 4.39 4.1802 2 1 1 24.44 19.41 3.6424 2 2 1 24.66 11.93 3.6097 0 3 1 25.82 25.56 3.4511 1 3 1 26.33 8.78 3.3852 3 0 1 26.62 4.03 3.3492 3 2 0 27.53 6.27 3.2395 0 1 2 27.75 3.33 3.2145 0 4 0 28.58 91.55 3.1234 1 1 2 28.79 58.63 3.1010 1 4 0 29.02 3.89 3.0771 2 3 1 29.83 7.43 2.9953 3 2 1 30.10 1.32 2.9691 0 2 2 30.37 77.22 2.9427 4 0 0 31.06 9.49 2.8789 1 2 2 31.52 11.32 2.8380 2 1 2 31.72 8.56 2.8211 2 4 0 31.80 16.85 2.8138 1 4 1 33.49 2.91 2.6758 4 2 0 33.74 14.14 2.6565 3 3 1 33.98 2.80 2.6382 0 3 2 34.00 2.85 2.6367 4 1 1 34.50 11.65 2.5998 2 4 1 34.85 4.52 2.5743 1 3 2 35.95 14.44 2.4981 3 1 2 36.12 8.77 2.4866 3 4 0 37.35 11.51 2.4074 2 3 2 38.63 1.75 2.3310 3 4 1 39.51 5.10 2.2808 4 3 1 40.59 1.66 2.2228 2 5 1 40.62 2.68 2.2209 5 0 1 40.82 1.57 2.2106 5 2 0 41.05 14.67 2.1988 0 1 3 41.25 1.06 2.1885 5 1 1 41.45 1.77 2.1782 4 1 2 41.79 2.20 2.1614 1 1 3 42.17 2.98 2.1430 0 6 0 42.90 8.79 2.1083 1 6 0 43.09 5.64 2.0992 5 2 1 43.61 2.99 2.0752 1 2 3 43.96 5.64 2.0597 2 1 3 44.38 7.97 2.0410 0 6 1 44.42 6.82 2.0393 0 5 2 45.02 1.24 2.0137 2 6 0 45.12 3.93 2.0094 1 5 2 45.71 1.18 1.9848 2 2 3 45.84 1.79 1.9794 0 3 3 46.03 5.29 1.9719 5 3 1 46.28 8.01 1.9618 6 0 0 46.52 4.54 1.9520 1 3 3 47.13 2.04 1.9283 2 6 1 47.17 9.03 1.9269 2 5 2 47.76 16.77 1.9044 5 1 2 47.89 10.69 1.8993 5 4 0 48.40 7.26 1.8808 3 6 0 48.52 2.02 1.8764 6 2 0 48.52 2.41 1.8761 2 3 3 48.89 1.55 1.8628 6 1 1 48.97 1.20 1.8602 4 5 1 49.05 2.33 1.8571 3 2 3 49.41 2.35 1.8447 5 2 2 49.74 1.02 1.8332 0 4 3 49.91 2.80 1.8272 5 4 1 50.38 1.30 1.8114 1 4 3 50.40 1.41 1.8107 3 6 1 50.43 1.37 1.8095 3 5 2 50.51 4.17 1.8068 6 2 1 51.60 4.52 1.7714 0 7 1 51.73 4.89 1.7673 3 3 3 51.91 11.21 1.7614 4 1 3 52.22 3.09 1.7517 1 7 1 52.27 2.47 1.7503 2 4 3 52.85 2.79 1.7323 4 6 0 53.13 1.32 1.7237 6 3 1 54.06 2.41 1.6962 2 7 1 54.70 2.63 1.6781 6 1 2 54.73 4.78 1.6771 4 6 1 54.77 4.57 1.6762 4 5 2 54.82 2.03 1.6746 6 4 0 54.85 7.37 1.6738 0 0 4 55.04 7.59 1.6685 1 5 3 55.31 1.50 1.6609 3 4 3 55.35 1.30 1.6597 0 1 4 55.95 1.69 1.6435 1 1 4 55.99 1.05 1.6424 4 3 3 56.42 2.55 1.6309 7 0 1 56.57 1.14 1.6268 7 2 0 56.66 4.70 1.6245 6 4 1 56.82 1.48 1.6204 2 5 3 57.04 2.68 1.6145 3 7 1 57.22 3.45 1.6099 2 0 4 57.43 1.29 1.6046 1 2 4 57.79 2.61 1.5955 1 7 2 58.22 3.43 1.5847 5 6 0 58.37 2.18 1.5808 7 2 1 58.64 6.03 1.5743 6 3 2 58.79 1.49 1.5705 5 2 3 59.11 4.11 1.5628 0 8 1 59.63 1.27 1.5505 2 8 0 59.68 3.62 1.5493 1 8 1 59.71 3.71 1.5486 3 5 3 59.84 1.72 1.5456 1 3 4 60.76 3.56 1.5243 7 3 1 61.06 4.18 1.5177 4 7 1 61.17 2.24 1.5150 5 3 3 61.38 1.60 1.5105 2 8 1 62.20 4.28 1.4925 7 1 2 62.31 2.58 1.4900 7 4 0 62.33 1.45 1.4898 3 7 2 63.12 5.56 1.4729 1 4 4 63.19 2.33 1.4714 8 0 0 63.56 2.03 1.4639 6 1 3 64.00 5.10 1.4549 4 0 4 64.14 1.96 1.4519 3 8 1 64.93 1.06 1.4362 6 2 3 65.34 1.02 1.4282 8 1 1 65.85 1.15 1.4182 0 7 3 66.06 1.45 1.4144 6 6 1 66.09 5.48 1.4138 6 5 2 66.15 1.72 1.4127 4 7 2 66.39 4.79 1.4080 1 7 3 67.18 1.77 1.3934 6 3 3 67.45 2.89 1.3885 3 4 4 67.91 2.83 1.3803 4 8 1 67.99 2.84 1.3788 2 7 3 68.46 3.36 1.3705 5 5 3 69.26 1.06 1.3565 5 1 4 70.28 1.95 1.3394 6 4 3 70.62 1.78 1.3338 3 7 3 70.90 1.96 1.3291 5 7 2 71.29 1.93 1.3229 7 6 0 71.81 1.08 1.3146 7 2 3 72.47 1.54 1.3042 0 8 3 72.61 1.69 1.3021 5 8 1 72.91 2.89 1.2974 7 5 2 73.96 2.33 1.2816 7 3 3 74.23 1.93 1.2776 4 7 3 74.52 1.53 1.2733 2 8 3 75.53 1.18 1.2588 9 2 1 75.72 1.28 1.2562 2 10 0 75.75 2.38 1.2557 5 4 4 78.16 2.81 1.2228 8 1 3 78.78 2.27 1.2148 5 7 3 79.18 1.36 1.2097 2 4 5 79.65 1.20 1.2037 4 6 4 80.47 1.12 1.1936 8 6 1 80.49 1.60 1.1932 8 5 2 80.56 1.95 1.1924 4 8 3 80.72 1.34 1.1904 7 5 3 81.68 2.01 1.1788 2 9 3 84.55 1.29 1.1460 1 11 1 85.02 1.92 1.1409 10 2 1 85.51 1.13 1.1356 0 6 5 87.35 1.35 1.1164 9 6 0 87.69 1.38 1.1129 7 4 4 88.31 1.31 1.1067 1 1 6 89.12 1.24 1.0987 1 11 2 89.54 1.31 1.0946 1 2 6 89.90 1.09 1.0912 9 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.