Shortite Dickens B, Hyman A, Brown W E Journal of Research of the National Bureau of Standards - Physics and Chemistry 75A (1971) 129-135 Crystal structure of Ca2Na2(CO3)3 (shortite) Note: Y- and z-coordinates of Ca adjusted to match reported bond lengths _database_code_amcsd 0013288 CELL PARAMETERS: 4.9470 11.0320 7.1080 90.000 90.000 90.000 SPACE GROUP: Amm2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 387.921 Density (g/cm3): 2.621 MAX. ABS. INTENSITY / VOLUME**2: 7.113156731 RIR: 0.884 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.83 39.49 5.9752 0 1 1 2 16.07 52.50 5.5160 0 2 0 2 17.93 61.68 4.9470 1 0 0 2 23.34 45.38 3.8105 1 1 1 4 24.17 1.70 3.6828 1 2 0 4 25.06 20.84 3.5540 0 0 2 1 27.31 19.98 3.2661 0 3 1 2 29.91 16.62 2.9876 0 2 2 2 30.98 16.33 2.8864 1 0 2 2 32.46 10.68 2.7580 0 4 0 2 32.86 23.31 2.7257 1 3 1 4 35.09 100.00 2.5574 1 2 2 4 36.32 48.09 2.4735 2 0 0 2 37.33 5.81 2.4089 1 4 0 4 38.88 21.37 2.3165 0 1 3 2 39.43 16.49 2.2854 2 1 1 4 41.44 38.90 2.1789 0 4 2 2 42.92 29.91 2.1072 0 5 1 2 43.12 8.10 2.0979 1 1 3 4 44.63 32.21 2.0302 2 0 2 2 45.49 19.91 1.9940 1 4 2 4 45.54 27.50 1.9917 0 3 3 2 46.03 23.26 1.9719 2 3 1 4 46.86 5.64 1.9387 1 5 1 4 47.74 17.78 1.9052 2 2 2 4 49.32 5.02 1.8476 1 3 3 4 49.50 27.56 1.8414 2 4 0 4 49.58 4.30 1.8387 0 6 0 2 51.42 4.14 1.7770 0 0 4 1 53.14 1.65 1.7235 1 6 0 4 54.23 6.65 1.6914 0 2 4 2 54.25 10.61 1.6908 2 1 3 4 54.90 8.46 1.6724 1 0 4 2 55.75 4.62 1.6490 3 0 0 2 56.26 8.95 1.6350 2 4 2 4 56.34 3.25 1.6331 0 6 2 2 57.04 6.10 1.6147 0 5 3 2 57.45 19.18 1.6041 2 5 1 4 57.59 13.93 1.6004 1 2 4 4 59.62 3.37 1.5508 1 6 2 4 60.14 5.80 1.5386 0 7 1 2 60.30 2.05 1.5350 1 5 3 4 63.16 2.84 1.4720 3 3 1 4 63.30 7.71 1.4692 1 7 1 4 64.55 9.26 1.4437 3 2 2 4 64.58 1.58 1.4432 2 0 4 2 65.24 3.00 1.4300 1 4 4 4 67.03 3.37 1.3962 2 2 4 4 68.90 2.07 1.3628 2 6 2 4 69.30 2.46 1.3559 1 1 5 4 69.52 5.05 1.3521 2 5 3 4 70.04 1.58 1.3434 3 1 3 4 71.79 4.48 1.3149 3 4 2 4 71.96 1.04 1.3122 0 7 3 2 72.32 2.86 1.3065 2 7 1 4 72.83 1.24 1.2986 3 5 1 4 74.02 2.97 1.2808 1 3 5 4 74.15 3.58 1.2787 2 4 4 4 74.86 2.21 1.2684 1 7 3 4 76.57 2.17 1.2443 1 8 2 4 77.12 7.06 1.2368 4 0 0 2 79.25 2.57 1.2087 3 0 4 2 79.32 2.13 1.2079 0 9 1 2 80.35 1.44 1.1950 0 5 5 2 81.52 4.56 1.1807 3 2 4 4 82.14 1.04 1.1735 1 9 1 4 82.55 1.02 1.1686 2 3 5 4 83.16 9.32 1.1616 1 5 5 4 83.27 1.76 1.1603 3 6 2 4 83.37 6.49 1.1592 2 7 3 4 83.45 1.80 1.1583 0 2 6 2 84.00 2.29 1.1521 1 0 6 2 84.85 1.09 1.1427 4 2 2 4 85.54 1.61 1.1352 2 6 4 4 86.18 1.10 1.1285 4 4 0 4 86.25 1.76 1.1278 1 2 6 4 86.51 3.27 1.1250 3 7 1 4 88.66 1.03 1.1032 0 10 0 2 89.92 1.59 1.0910 4 1 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.