Rapidcreekite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070287 Cooper M A, Hawthorne F C The Canadian Mineralogist 34 (1996) 99-106 The crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4, and its relation to the structure of gypsum _database_code_amcsd 0005481 CELL PARAMETERS: 15.5260 19.1980 6.1730 90.000 90.000 90.000 SPACE GROUP: Pcnb ATOM X Y Z OCCUPANCY ISO(B) Ca 0.33410 0.28960 0.20090 1.000 0.987 Ca 0.32760 0.05330 0.18830 1.000 1.000 S 0.16880 0.41930 0.02680 1.000 1.005 C 0.19140 0.17390 0.43100 1.000 0.892 O 0.22470 0.35890 0.05000 1.000 1.548 O 0.21370 0.23290 0.35700 1.000 1.184 O 0.38980 0.40390 0.34300 1.000 1.413 O 0.37120 0.17140 0.07350 1.000 1.195 O 0.22860 0.11680 0.38300 1.000 1.340 O 0.28100 0.48300 0.48400 1.000 1.311 O 0.11810 0.43210 0.22200 1.000 1.482 Wa 0.08940 0.23890 0.01300 1.000 1.750 Wa 0.04780 0.32360 0.46600 1.000 1.961 Wa 0.07460 0.01960 0.39700 1.000 1.437 Wa 0.43410 0.09140 0.46900 1.000 1.577 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 14 +/- 17 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 8.707704182 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 9.21 1.92 9.5990 0 2 0 10.84 4.94 8.1646 1 2 0 11.40 100.00 7.7630 2 0 0 16.13 10.41 5.4961 1 1 1 18.01 3.53 4.9240 1 2 1 18.94 9.94 4.6855 2 1 1 20.58 31.64 4.3158 2 2 1 22.90 17.76 3.8839 3 1 1 22.91 12.90 3.8815 4 0 0 23.07 13.47 3.8560 2 3 1 24.18 2.80 3.6810 1 4 1 24.28 12.35 3.6654 3 2 1 26.17 19.22 3.4051 2 4 1 27.54 7.85 3.2388 4 1 1 27.88 5.59 3.1997 0 6 0 28.72 53.17 3.1088 4 2 1 28.93 5.92 3.0865 0 0 2 29.21 1.32 3.0572 3 4 1 29.72 12.06 3.0060 2 5 1 30.25 1.89 2.9545 5 2 0 30.58 22.94 2.9231 4 3 1 31.18 1.90 2.8681 2 0 2 32.03 43.95 2.7943 1 6 1 32.27 1.20 2.7740 5 0 1 32.46 5.89 2.7586 3 5 1 32.58 5.32 2.7481 2 2 2 32.73 6.13 2.7365 1 3 2 33.04 1.63 2.7113 4 4 1 33.63 11.12 2.6650 5 2 1 34.26 3.21 2.6173 2 3 2 34.40 1.89 2.6071 5 4 0 34.55 2.18 2.5960 0 4 2 35.05 15.04 2.5605 1 4 2 35.12 7.00 2.5552 3 2 2 35.97 4.48 2.4965 4 5 1 36.39 5.13 2.4689 4 6 0 36.50 1.87 2.4620 2 4 2 36.70 14.26 2.4491 3 3 2 37.22 2.12 2.4158 4 0 2 37.48 1.89 2.3997 0 8 0 37.52 5.19 2.3969 4 1 2 37.94 3.31 2.3716 1 8 0 38.42 1.14 2.3428 4 2 2 38.81 4.70 2.3205 3 4 2 39.97 5.36 2.2557 3 7 1 40.10 5.91 2.2486 5 5 1 40.76 2.10 2.2138 1 8 1 41.48 1.04 2.1771 3 8 0 41.52 3.83 2.1750 5 1 2 42.04 2.43 2.1493 2 8 1 43.16 6.35 2.0960 5 6 1 43.62 4.80 2.0751 7 1 1 44.18 1.35 2.0501 0 7 2 44.38 3.83 2.0411 4 8 0 44.41 3.32 2.0398 1 0 3 45.03 6.28 2.0134 7 4 0 45.54 16.30 1.9917 5 4 2 45.76 5.08 1.9830 6 0 2 45.78 2.31 1.9822 2 7 2 46.01 3.78 1.9725 6 1 2 46.54 13.76 1.9514 2 9 1 46.57 3.43 1.9503 5 7 1 46.78 1.26 1.9420 6 2 2 46.81 2.85 1.9408 8 0 0 47.55 8.71 1.9121 3 0 3 47.80 1.85 1.9027 3 1 3 47.89 4.42 1.8994 2 3 3 47.91 11.08 1.8988 5 8 0 48.02 1.24 1.8945 0 8 2 48.03 2.42 1.8941 6 3 2 48.40 2.88 1.8806 1 8 2 48.49 1.70 1.8773 1 4 3 49.46 1.72 1.8429 8 1 1 49.61 2.94 1.8374 2 4 3 49.75 3.25 1.8327 6 4 2 51.05 3.90 1.7892 4 9 1 51.14 2.96 1.7863 4 2 3 51.38 1.15 1.7785 8 3 1 51.44 1.03 1.7763 3 4 3 51.63 2.31 1.7703 7 2 2 51.90 2.99 1.7619 6 5 2 51.97 6.98 1.7596 6 8 0 52.48 3.86 1.7437 1 9 2 52.80 1.02 1.7338 7 3 2 53.01 1.78 1.7273 8 4 1 53.26 2.35 1.7200 1 6 3 53.42 2.59 1.7153 5 0 3 53.65 2.57 1.7084 5 1 3 54.41 4.23 1.6863 7 4 2 55.43 2.27 1.6576 4 10 1 55.52 2.81 1.6553 9 1 1 56.50 1.15 1.6288 7 8 0 58.82 1.16 1.5700 9 4 1 60.48 1.54 1.5308 1 1 4 60.74 1.86 1.5248 9 5 1 61.11 1.23 1.5164 1 2 4 62.04 2.35 1.4959 6 10 1 62.06 1.28 1.4954 3 8 3 62.61 1.18 1.4837 3 12 1 63.04 2.23 1.4745 9 6 1 64.28 1.47 1.4491 4 8 3 64.91 1.07 1.4367 10 4 1 65.46 2.20 1.4259 1 5 4 65.74 3.27 1.4204 0 12 2 66.73 1.38 1.4018 10 5 1 67.70 1.37 1.3839 3 13 1 69.41 1.50 1.3541 11 4 0 70.72 1.52 1.3321 0 13 2 71.87 1.33 1.3136 7 10 2 74.26 1.08 1.2771 7 8 3 76.51 1.02 1.2451 6 12 2 78.24 1.41 1.2218 9 6 3 78.62 2.29 1.2169 8 8 3 80.24 2.03 1.1963 1 16 0 81.44 1.83 1.1817 2 4 5 83.49 1.34 1.1579 9 8 3 84.53 1.01 1.1462 8 12 2 84.85 1.50 1.1427 4 4 5 88.60 1.60 1.1038 9 13 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.