Gaylussite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R040146 Dickens B, Brown W E Inorganic Chemistry 8 (1969) 2093-2103 The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite, and CaNa2(CO3)2*2(H2O), synthetic pirssonite Locality: synthetic CELL PARAMETERS: 14.3650 7.7840 11.2203 90.000 127.810 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Ca 0.00000 0.19290 0.25000 1.000 0.931 Na 0.08810 0.18220 -0.01070 1.000 1.634 C 0.18530 -0.02860 0.31610 1.000 1.102 O 0.28520 -0.09060 0.36330 1.000 1.884 O 0.10330 0.00310 0.17490 1.000 1.463 O 0.16580 0.00950 0.41130 1.000 1.251 Ow 0.00000 0.67910 0.25000 1.000 2.045 Ow 0.06960 0.29350 0.50290 1.000 1.703 Ow 0.14670 0.40480 0.31090 1.000 1.648 H 0.06000 0.60000 0.28000 1.000 1.000 H 0.09000 0.20000 0.57000 1.000 1.000 H 0.12000 0.38000 0.56000 1.000 1.000 H 0.21000 0.44000 0.41000 1.000 1.000 H 0.17000 0.41000 0.25000 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 10 +/- 7 +/- 8 MAX. ABS. INTENSITY / VOLUME**2: 3.664667271 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 13.80 70.03 6.4192 1 1 0 13.95 19.50 6.3492 -1 1 1 15.62 21.56 5.6745 2 0 0 16.15 14.71 5.4874 -2 0 2 19.69 32.08 4.5092 1 1 1 20.01 22.06 4.4369 -1 1 2 20.03 8.03 4.4323 0 0 2 22.52 12.41 3.9479 -3 1 2 22.85 2.07 3.8920 0 2 0 24.81 2.56 3.5891 -4 0 2 24.99 3.67 3.5637 0 2 1 26.04 6.93 3.4215 -2 2 1 26.19 2.15 3.4025 3 1 0 26.93 19.85 3.3109 -3 1 3 27.80 100.00 3.2096 2 2 0 28.15 10.41 3.1695 1 1 2 28.54 10.98 3.1275 -1 1 3 30.57 14.04 2.9245 0 2 2 31.53 3.19 2.8373 4 0 0 32.81 71.82 2.7300 2 2 1 33.18 34.04 2.7000 -2 0 4 33.34 16.63 2.6872 -2 2 3 33.82 4.17 2.6507 -5 1 3 33.98 72.94 2.6385 -4 2 2 33.99 9.15 2.6376 -3 1 4 35.75 42.18 2.5116 -4 2 3 36.20 4.18 2.4815 -5 1 1 37.12 12.28 2.4220 -5 1 4 37.67 3.44 2.3880 1 1 3 38.09 4.07 2.3627 -1 1 4 38.24 5.53 2.3534 0 2 3 38.49 2.31 2.3387 -1 3 2 38.64 19.26 2.3303 -6 0 2 39.30 10.14 2.2927 4 2 0 39.76 4.86 2.2670 -3 3 1 39.93 11.66 2.2577 -3 3 2 39.99 1.16 2.2546 2 2 2 40.21 1.00 2.2425 -4 2 4 40.67 13.33 2.2185 -2 2 4 40.71 7.04 2.2161 0 0 4 41.42 12.97 2.1801 3 1 2 41.44 1.53 2.1791 5 1 0 42.24 13.10 2.1397 3 3 0 42.57 1.28 2.1237 -3 1 5 42.72 1.17 2.1164 -3 3 3 42.81 2.02 2.1126 -5 1 5 43.82 1.87 2.0660 -1 3 3 44.45 4.16 2.0384 -6 2 3 45.36 15.00 1.9993 -6 2 2 45.51 15.50 1.9932 4 2 1 46.68 1.08 1.9460 0 4 0 46.73 2.39 1.9439 -4 2 5 47.02 6.19 1.9327 3 3 1 47.19 26.06 1.9258 0 2 4 47.38 14.22 1.9186 -5 3 2 47.47 7.36 1.9152 4 0 2 47.63 4.34 1.9091 -5 3 3 47.84 2.03 1.9013 1 1 4 47.86 11.97 1.9007 0 4 1 47.90 2.37 1.8993 -7 1 2 48.47 1.45 1.8782 -2 4 1 48.54 2.37 1.8756 5 1 1 48.62 2.33 1.8728 -6 2 1 48.92 7.65 1.8617 -7 1 5 49.04 3.45 1.8574 -4 0 6 49.36 5.42 1.8463 -2 2 5 49.46 1.89 1.8429 -5 3 1 49.78 3.81 1.8317 -6 2 5 49.85 17.20 1.8291 -6 0 6 50.23 4.89 1.8163 -5 1 6 50.88 3.12 1.7946 -8 0 4 50.94 5.09 1.7927 -1 3 4 52.09 4.27 1.7559 -7 1 1 52.76 9.49 1.7351 2 0 4 52.76 6.66 1.7349 2 4 1 53.13 17.90 1.7238 -2 4 3 53.31 1.05 1.7184 4 2 2 53.57 2.09 1.7107 -4 4 2 53.67 1.59 1.7076 -2 0 6 53.70 2.19 1.7070 -7 1 6 53.89 1.26 1.7012 6 2 0 54.50 14.21 1.6836 -8 0 2 54.76 4.74 1.6763 -4 2 6 54.78 2.94 1.6758 -5 3 5 54.82 5.83 1.6747 -4 4 3 55.93 1.25 1.6439 -8 0 6 56.63 3.57 1.6252 0 4 3 57.09 2.69 1.6134 0 2 5 57.15 1.55 1.6118 -8 2 3 57.85 2.38 1.5940 -8 2 5 58.46 1.66 1.5787 -2 4 4 59.05 1.51 1.5643 1 3 4 59.56 1.35 1.5521 -9 1 5 59.98 6.60 1.5424 1 5 0 61.20 2.83 1.5144 -8 2 6 61.22 2.37 1.5140 3 1 4 61.41 1.14 1.5097 -6 4 3 61.93 1.88 1.4984 -9 1 6 62.04 1.37 1.4959 -1 5 2 62.26 5.75 1.4911 4 4 1 62.83 2.10 1.4790 -3 3 6 64.00 2.14 1.4547 -4 2 7 64.31 4.03 1.4484 6 0 2 64.43 1.31 1.4462 -8 2 1 64.75 1.78 1.4397 3 5 0 64.81 1.38 1.4386 -6 4 1 65.77 1.38 1.4198 -6 4 5 68.20 1.14 1.3750 -7 1 8 68.80 2.23 1.3645 2 2 5 69.21 3.76 1.3575 6 2 2 69.63 1.33 1.3503 -9 1 1 69.74 1.08 1.3484 -2 2 7 69.83 1.25 1.3469 -10 2 5 70.36 1.32 1.3381 -10 2 4 70.65 1.55 1.3333 -1 1 7 71.14 1.09 1.3253 -10 2 6 72.74 4.26 1.3001 -8 4 5 74.46 1.01 1.2743 -10 0 8 75.12 1.11 1.2647 2 6 0 75.41 1.82 1.2605 6 4 1 76.89 1.31 1.2399 -2 0 8 77.23 1.13 1.2352 -7 5 4 77.72 1.26 1.2288 2 6 1 78.02 1.50 1.2248 -2 6 3 78.29 1.85 1.2211 -4 4 7 78.48 1.59 1.2187 -7 5 2 78.68 2.37 1.2161 -8 4 1 79.08 1.31 1.2110 -10 2 8 79.41 1.56 1.2068 -4 6 3 80.28 1.03 1.1959 -5 5 6 81.32 1.01 1.1831 -9 3 8 82.62 1.16 1.1678 -10 2 1 82.75 1.40 1.1663 2 4 5 83.64 2.85 1.1562 -2 4 7 83.80 1.74 1.1543 7 3 2 85.79 1.15 1.1327 5 5 2 87.79 1.94 1.1119 8 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.