Trona Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern R050228 Choi C S, Mighell A D Acta Crystallographica B38 (1982) 2874-2876 Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 disordered model, this is the prefered model CELL PARAMETERS: 20.41014 3.490429 10.32979 90.00000 106.4539 90.00000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 9.05 26.42 9.7872 2 0 0 17.91 2.73 4.9534 0 0 2 18.13 16.16 4.8936 4 0 0 22.29 4.79 3.9879 2 0 2 25.93 2.18 3.4362 1 1 0 27.33 1.59 3.2624 6 0 0 27.90 24.12 3.1976 1 1 1 28.17 1.47 3.1677 -6 0 2 29.01 6.84 3.0777 3 1 0 29.05 43.53 3.0731 4 0 2 29.21 27.16 3.0572 -3 1 1 32.11 5.02 2.7864 -3 1 2 32.43 15.55 2.7598 1 1 2 33.88 100.00 2.6452 -5 1 1 34.41 1.42 2.6053 5 1 0 34.74 6.72 2.5812 -2 0 4 35.68 1.71 2.5154 -4 0 4 35.78 11.35 2.5089 -5 1 2 36.35 4.12 2.4704 3 1 2 36.78 33.07 2.4424 -1 1 3 37.03 3.72 2.4270 6 0 2 37.16 7.21 2.4184 -3 1 3 39.98 23.93 2.2540 2 0 4 41.34 1.88 2.1831 -7 1 2 42.10 4.30 2.1452 5 1 2 42.74 2.10 2.1149 3 1 3 44.03 4.28 2.0559 -8 0 4 44.39 15.46 2.0399 -7 1 3 44.68 17.34 2.0273 -10 0 2 45.47 5.61 1.9939 4 0 4 45.51 2.51 1.9923 -5 1 4 46.22 9.15 1.9634 1 1 4 46.37 2.04 1.9574 10 0 0 48.28 5.80 1.8843 -9 1 2 49.14 1.37 1.8531 -7 1 4 49.35 1.51 1.8459 9 1 0 51.38 13.01 1.7776 -3 1 5 52.40 6.00 1.7452 0 2 0 52.46 1.02 1.7434 -5 1 5 52.54 13.72 1.7409 9 1 1 53.29 1.14 1.7181 2 2 0 53.27 2.66 1.7189 -4 0 6 54.35 1.55 1.6871 -9 1 4 54.64 4.83 1.6788 2 2 1 55.09 1.05 1.6663 10 0 2 55.28 2.48 1.6610 -7 1 5 55.32 12.24 1.6597 7 1 3 55.64 1.53 1.6511 0 0 6 55.72 1.51 1.6488 -2 2 2 55.78 3.50 1.6471 -4 2 1 55.82 1.19 1.6460 0 2 2 57.68 5.64 1.5973 4 2 1 57.82 6.37 1.5939 -8 0 6 58.22 1.98 1.5838 -12 0 4 59.36 1.73 1.5562 -2 2 3 59.51 1.13 1.5524 -6 2 1 61.02 4.51 1.5176 4 2 2 62.24 1.43 1.4907 6 2 1 66.09 1.58 1.4129 -13 1 3 66.24 2.04 1.4101 11 1 2 66.88 3.72 1.3982 14 0 0 67.88 2.05 1.3799 2 2 4 68.41 1.30 1.3706 -12 0 6 69.22 1.67 1.3565 -3 1 7 69.28 1.66 1.3554 -5 1 7 70.73 1.59 1.3312 -2 2 5 70.89 1.21 1.3285 6 2 3 70.84 2.50 1.3293 6 0 6 71.26 1.18 1.3226 -10 2 2 72.43 1.04 1.3041 -13 1 5 74.89 1.41 1.2672 2 2 5 76.39 1.03 1.2459 -16 0 4 82.12 1.11 1.1729 -12 2 4 86.00 1.73 1.1297 -12 2 5 88.02 1.32 1.1089 11 1 5 88.02 1.32 1.1089 11 1 5 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.