Trona
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
_database_code_amcsd 0009779
CELL PARAMETERS: 20.3600 3.4800 10.2900 90.000 106.480 90.000
SPACE GROUP: C2/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 699.124
Density (g/cm3): 2.147
MAX. ABS. INTENSITY / VOLUME**2: 6.126311242
RIR: 0.929
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.06 26.42 9.7618 2 0 0 2
17.98 2.73 4.9336 0 0 2 2
18.18 16.16 4.8809 4 0 0 2
22.38 4.79 3.9728 2 0 2 2
26.01 2.18 3.4260 1 1 0 4
27.41 1.59 3.2539 6 0 0 2
27.99 24.12 3.1877 1 1 1 4
28.25 1.47 3.1593 -6 0 2 2
29.10 6.84 3.0688 3 1 0 4
29.16 43.53 3.0625 4 0 2 2
29.30 27.16 3.0483 -3 1 1 4
32.23 5.02 2.7778 -3 1 2 4
32.55 15.55 2.7506 1 1 2 4
33.98 100.00 2.6379 -5 1 1 4
34.52 1.42 2.5980 5 1 0 4
34.90 6.72 2.5712 -2 0 4 2
35.83 1.71 2.5064 -4 0 4 2
35.90 11.35 2.5016 -5 1 2 4
36.49 4.12 2.4623 3 1 2 4
36.93 33.07 2.4340 -1 1 3 4
37.17 3.72 2.4192 6 0 2 2
37.31 7.21 2.4104 -3 1 3 4
40.17 23.93 2.2451 2 0 4 2
41.48 1.88 2.1771 -7 1 2 4
42.26 4.30 2.1384 5 1 2 4
42.91 2.10 2.1076 3 1 3 4
44.18 4.28 2.0498 -8 0 4 2
44.55 15.46 2.0340 -7 1 3 4
44.82 17.34 2.0222 -10 0 2 2
45.67 5.61 1.9864 4 0 4 2
45.69 2.51 1.9858 -5 1 4 4
46.42 9.15 1.9562 1 1 4 4
46.52 2.04 1.9524 10 0 0 2
48.44 5.80 1.8793 -9 1 2 4
49.33 1.37 1.8474 -7 1 4 4
49.51 1.51 1.8409 9 1 0 4
51.60 13.01 1.7711 -3 1 5 4
52.60 6.00 1.7400 0 2 0 2
52.68 1.02 1.7373 -5 1 5 4
52.73 13.72 1.7359 9 1 1 4
53.49 1.14 1.7130 2 2 0 4
53.51 2.66 1.7124 -4 0 6 2
54.55 1.55 1.6822 -9 1 4 4
54.85 4.83 1.6738 2 2 1 4
55.30 1.05 1.6613 10 0 2 2
55.50 2.48 1.6556 -7 1 5 4
55.55 12.24 1.6543 7 1 3 4
55.91 1.53 1.6445 0 0 6 2
55.94 1.51 1.6438 -2 2 2 4
55.99 3.50 1.6423 -4 2 1 4
56.04 1.19 1.6409 0 2 2 4
57.91 5.64 1.5925 4 2 1 4
58.06 6.37 1.5885 -8 0 6 2
58.42 1.98 1.5797 -12 0 4 2
59.60 1.73 1.5513 -2 2 3 4
59.74 1.13 1.5479 -6 2 1 4
61.27 4.51 1.5129 4 2 2 4
62.49 1.43 1.4863 6 2 1 4
66.33 1.58 1.4093 -13 1 3 4
66.50 2.04 1.4060 11 1 2 4
67.12 3.72 1.3945 14 0 0 2
68.19 2.05 1.3753 2 2 4 4
68.68 1.30 1.3666 -12 0 6 2
69.57 1.67 1.3513 -3 1 7 4
69.62 1.66 1.3504 -5 1 7 4
71.05 1.59 1.3267 -2 2 5 4
71.20 1.21 1.3243 6 2 3 4
71.20 2.50 1.3243 6 0 6 2
71.53 1.18 1.3190 -10 2 2 4
72.71 1.04 1.3005 -13 1 5 4
75.24 1.41 1.2629 2 2 5 4
76.68 1.03 1.2428 -16 0 4 2
82.47 1.11 1.1696 -12 2 4 4
86.38 1.73 1.1264 -12 2 5 4
88.47 1.32 1.1051 11 1 5 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.