Wegscheiderite
Fernandes N G, Tellgren R, Olovsson I
Acta Crystallographica B46 (1990) 466-474
Structure and electron density of pentasodium trihydrogentetracarbonate
Locality: synthetic
Note: anisotropic displacement factors from ICSD
_database_code_amcsd 0009841
CELL PARAMETERS: 3.4762 10.0393 15.5969 107.770 95.589 95.028
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 511.906
Density (g/cm3): 2.322
MAX. ABS. INTENSITY / VOLUME**2: 1.616070524
RIR: 0.227
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
6.00 9.87 14.7250 0 0 1 2
9.32 1.82 9.4867 0 1 0 2
9.36 4.60 9.4522 0 -1 1 2
17.52 1.74 5.0619 0 -1 3 2
17.74 1.91 5.0002 0 -2 1 2
18.71 7.47 4.7434 0 2 0 2
18.78 4.25 4.7261 0 -2 2 2
21.42 3.30 4.1480 0 2 1 2
21.54 13.03 4.1250 0 -2 3 2
24.18 51.71 3.6813 0 0 4 2
25.35 4.18 3.5133 0 2 2 2
25.51 26.40 3.4923 0 -2 4 2
25.87 3.53 3.4445 -1 0 1 2
26.49 3.68 3.3642 -1 1 0 2
26.90 1.57 3.3146 0 -3 1 2
26.94 8.52 3.3101 0 -3 2 2
27.19 3.87 3.2802 -1 0 2 2
27.44 17.34 3.2506 1 0 1 2
28.22 2.52 3.1622 0 3 0 2
28.33 3.24 3.1507 0 -3 3 2
28.59 3.33 3.1220 -1 -1 2 2
28.65 6.18 3.1155 0 1 4 2
28.76 27.60 3.1045 0 -1 5 2
29.00 54.61 3.0786 -1 1 2 2
29.36 19.13 3.0416 1 -1 2 2
29.74 9.30 3.0039 -1 0 3 2
30.06 8.40 2.9730 0 2 3 2
30.13 21.11 2.9663 1 0 2 2
30.19 20.15 2.9607 -1 2 0 2
30.23 77.88 2.9561 0 -2 5 2
30.28 36.81 2.9513 1 -2 1 2
30.35 40.20 2.9450 0 0 5 2
30.44 49.51 2.9368 -1 -1 3 2
30.70 76.12 2.9125 1 1 1 2
30.74 3.32 2.9086 0 3 1 2
31.32 17.12 2.8562 -1 2 1 2
31.60 71.66 2.8311 1 -2 2 2
32.01 75.07 2.7959 -1 1 3 2
32.51 3.24 2.7545 1 -1 3 2
32.84 50.89 2.7270 -1 -2 2 2
33.57 2.76 2.6698 -1 2 2 2
33.71 75.90 2.6591 1 1 2 2
33.76 5.63 2.6548 1 0 3 2
33.93 100.00 2.6417 -1 -2 3 2
34.01 8.61 2.6358 1 -2 3 2
34.08 5.97 2.6306 1 2 0 2
34.22 16.55 2.6204 0 3 2 2
34.43 4.06 2.6052 0 -3 5 2
34.63 10.15 2.5901 0 1 5 2
35.28 32.34 2.5443 0 2 4 2
35.72 3.08 2.5139 1 -3 1 2
36.31 10.28 2.4742 1 2 1 2
36.34 48.37 2.4719 1 -3 2 2
36.41 8.46 2.4673 0 -4 1 2
36.75 48.13 2.4453 -1 2 3 2
37.54 5.77 2.3960 1 1 3 2
37.55 1.26 2.3955 -1 0 5 2
37.94 1.19 2.3717 0 4 0 2
37.99 2.26 2.3682 1 -3 3 2
38.43 1.43 2.3422 0 3 3 2
38.67 22.95 2.3282 0 -3 6 2
39.12 1.88 2.3026 -1 -2 5 2
39.42 1.27 2.2856 1 2 2 2
39.58 2.42 2.2771 -1 -3 3 2
40.05 2.35 2.2512 -1 3 2 2
40.38 4.45 2.2337 -1 1 5 2
40.39 1.58 2.2332 0 4 1 2
40.56 31.76 2.2240 1 -3 4 2
40.59 10.82 2.2224 0 -4 5 2
40.69 13.89 2.2172 -1 2 4 2
40.79 55.67 2.2123 0 1 6 2
40.86 7.17 2.2084 0 2 5 2
40.90 2.51 2.2066 0 -1 7 2
41.00 15.94 2.2012 -1 -3 4 2
41.13 7.76 2.1944 1 3 0 2
42.01 3.02 2.1507 1 1 4 2
42.38 2.62 2.1329 -1 0 6 2
42.79 10.32 2.1135 1 -4 1 2
42.88 7.00 2.1093 1 -4 2 2
43.00 4.19 2.1034 1 0 5 2
43.21 4.88 2.0935 0 3 4 2
43.27 21.61 2.0909 1 2 3 2
43.28 9.37 2.0907 -1 3 3 2
43.31 14.82 2.0892 -1 -3 5 2
43.48 27.67 2.0813 0 -3 7 2
43.50 9.86 2.0804 1 3 1 2
43.90 4.39 2.0625 0 -4 6 2
43.92 3.84 2.0617 1 -3 5 2
45.32 18.89 2.0009 -1 4 1 2
45.39 3.36 1.9980 -1 1 6 2
45.43 1.88 1.9963 0 -5 2 2
45.47 5.91 1.9947 0 -5 3 2
45.75 13.32 1.9833 1 -4 4 2
45.99 8.04 1.9733 1 -2 6 2
46.13 4.15 1.9677 1 -1 6 2
46.27 1.40 1.9621 0 -5 1 2
46.38 1.00 1.9575 0 -5 4 2
46.40 1.15 1.9571 -1 -3 6 2
46.44 3.38 1.9552 -1 -1 7 2
46.64 3.60 1.9475 1 3 2 2
46.73 3.17 1.9438 -1 -4 3 2
46.75 7.17 1.9430 -1 -4 2 2
46.96 1.20 1.9348 0 -2 8 2
47.18 9.65 1.9263 -1 3 4 2
47.23 3.36 1.9244 0 -1 8 2
47.30 7.01 1.9216 -1 -2 7 2
47.57 18.22 1.9117 -1 -4 4 2
47.63 14.13 1.9091 -1 -4 1 2
47.65 5.87 1.9083 -1 0 7 2
47.83 20.70 1.9016 -1 4 2 2
48.13 2.91 1.8904 0 -5 5 2
48.33 3.84 1.8833 1 0 6 2
48.45 2.06 1.8789 0 3 5 2
49.22 1.99 1.8511 -1 -4 5 2
49.33 1.84 1.8473 1 4 0 2
50.15 6.00 1.8189 -1 -3 7 2
50.26 2.01 1.8154 -1 2 6 2
50.40 2.21 1.8106 0 5 1 2
50.44 8.65 1.8093 1 3 3 2
50.65 2.36 1.8022 0 -5 6 2
50.67 9.04 1.8016 1 -5 2 2
50.82 1.13 1.7966 -1 1 7 2
51.06 1.38 1.7887 -1 4 3 2
51.16 10.31 1.7855 1 -5 3 2
51.61 15.46 1.7709 1 -1 7 2
51.76 3.17 1.7662 1 -4 6 2
51.79 8.36 1.7651 1 4 1 2
52.06 10.26 1.7566 0 4 4 2
52.21 9.61 1.7521 -1 -2 8 2
52.39 8.52 1.7465 1 1 6 2
52.50 18.25 1.7431 1 -3 7 2
52.92 4.43 1.7301 -2 1 1 2
53.03 6.85 1.7270 -2 1 0 2
53.13 1.65 1.7240 0 -2 9 2
53.18 14.48 1.7223 -2 0 2 2
53.31 8.79 1.7185 -1 0 8 2
53.37 15.49 1.7165 2 0 0 2
53.56 2.10 1.7111 0 5 2 2
53.60 16.61 1.7097 -2 1 2 2
53.76 4.85 1.7052 0 -1 9 2
53.87 9.19 1.7020 0 -5 7 2
53.91 3.06 1.7007 2 -1 1 2
54.07 5.67 1.6962 0 3 6 2
54.26 1.53 1.6907 -2 0 3 2
54.49 5.63 1.6839 -1 -3 8 2
54.64 3.58 1.6798 -2 -1 2 2
54.77 2.70 1.6762 -1 -4 7 2
54.99 1.99 1.6698 -1 -5 3 2
55.05 3.19 1.6682 2 -2 1 2
55.32 1.98 1.6608 -2 -1 3 2
55.36 3.88 1.6595 -1 -5 4 2
55.58 3.02 1.6536 2 1 0 2
55.70 2.66 1.6501 -1 2 7 2
55.87 5.29 1.6456 -2 2 2 2
56.07 2.12 1.6401 -2 0 4 2
56.54 33.33 1.6277 0 -6 1 2
56.60 1.60 1.6261 1 -2 8 2
56.61 3.79 1.6258 -1 1 8 2
56.63 1.63 1.6253 -1 3 6 2
56.75 1.03 1.6223 -2 -1 4 2
57.45 1.92 1.6040 1 -1 8 2
57.54 2.72 1.6018 -1 -1 9 2
57.55 6.60 1.6014 -1 -2 9 2
57.70 1.53 1.5978 0 -5 8 2
58.27 1.37 1.5835 2 -2 3 2
58.34 1.01 1.5817 -1 -5 6 2
58.51 3.01 1.5776 -1 -4 8 2
58.60 4.65 1.5754 0 -6 6 2
58.72 2.59 1.5724 1 4 3 2
59.30 5.58 1.5583 -1 0 9 2
59.31 3.27 1.5580 2 0 3 2
59.47 1.01 1.5543 2 1 2 2
59.83 1.20 1.5457 -1 5 3 2
60.06 5.91 1.5404 1 0 8 2
60.09 2.42 1.5397 1 -6 1 2
60.11 3.39 1.5393 -2 2 4 2
60.34 2.10 1.5339 1 -6 4 2
60.36 2.00 1.5334 0 -3 10 2
60.38 2.64 1.5331 0 1 9 2
60.50 1.20 1.5303 0 -1 10 2
60.60 3.17 1.5281 1 -5 7 2
60.92 9.24 1.5208 2 -1 4 2
60.92 2.09 1.5208 2 -2 4 2
60.97 1.05 1.5195 1 5 1 2
61.38 1.07 1.5105 2 2 1 2
61.70 3.39 1.5034 -2 -1 6 2
61.77 6.41 1.5019 -2 0 6 2
61.86 1.02 1.4999 1 -6 5 2
62.09 1.58 1.4949 0 -5 9 2
62.49 1.36 1.4863 1 -2 9 2
62.64 6.15 1.4831 2 0 4 2
63.34 2.51 1.4684 -2 -2 6 2
63.54 1.78 1.4643 -2 1 6 2
63.63 2.91 1.4623 -1 -1 10 2
63.93 1.23 1.4563 2 2 2 2
64.18 1.23 1.4511 -1 -6 3 2
64.20 1.75 1.4507 2 -2 5 2
64.26 1.83 1.4496 -1 4 6 2
64.55 1.90 1.4438 2 -1 5 2
65.04 4.39 1.4340 1 3 6 2
65.13 4.35 1.4322 -2 -1 7 2
65.53 5.22 1.4244 2 -3 5 2
66.27 1.45 1.4104 -1 -6 1 2
66.70 1.07 1.4023 0 -3 11 2
66.99 3.17 1.3969 0 -5 10 2
67.37 5.60 1.3899 0 1 10 2
67.56 2.98 1.3865 0 -7 6 2
67.59 1.95 1.3861 -2 1 7 2
67.77 1.39 1.3827 0 6 3 2
67.90 1.59 1.3803 1 4 5 2
68.08 1.41 1.3771 -1 5 5 2
68.20 2.23 1.3750 0 -6 9 2
68.58 1.07 1.3683 -2 -4 3 2
68.75 2.03 1.3653 1 -2 10 2
69.26 4.27 1.3566 -2 -3 7 2
69.63 1.86 1.3503 0 -7 7 2
69.66 2.46 1.3499 -1 4 7 2
69.81 1.88 1.3473 -2 -4 5 2
70.04 1.30 1.3434 -2 -2 8 2
70.14 1.98 1.3418 2 1 5 2
70.32 1.18 1.3387 -2 5 1 2
71.85 4.05 1.3139 -2 3 6 2
71.89 3.17 1.3134 0 5 6 2
72.09 3.16 1.3102 0 6 4 2
72.38 3.30 1.3056 0 -5 11 2
73.04 2.26 1.2954 0 3 9 2
73.13 1.19 1.2941 2 -3 7 2
74.60 2.48 1.2721 0 4 8 2
74.73 1.25 1.2702 -2 0 9 2
75.69 2.23 1.2565 2 -5 6 2
75.85 1.39 1.2542 -2 -5 3 2
76.10 2.77 1.2508 2 -6 3 2
76.52 1.38 1.2450 0 -8 5 2
77.18 2.11 1.2360 2 3 4 2
77.53 1.25 1.2312 0 -8 6 2
77.84 1.43 1.2271 0 0 12 2
78.91 3.04 1.2131 0 -8 1 2
80.75 1.63 1.1901 0 -2 13 2
81.82 1.16 1.1772 0 -4 13 2
82.01 1.19 1.1750 -2 -5 8 2
82.07 1.91 1.1743 1 -3 12 2
82.65 1.90 1.1675 1 5 6 2
83.09 2.21 1.1624 -2 6 3 2
84.02 2.35 1.1519 0 -7 11 2
84.34 1.49 1.1484 -2 -6 5 2
84.35 1.15 1.1482 0 -8 9 2
84.42 1.20 1.1474 -2 -6 3 2
84.79 1.01 1.1434 -1 -8 4 2
84.84 1.50 1.1428 2 4 4 2
85.03 1.19 1.1408 1 1 11 2
85.66 1.29 1.1340 2 5 2 2
85.89 2.46 1.1316 -2 5 6 2
86.22 1.65 1.1280 2 -7 5 2
86.77 1.40 1.1223 -2 -6 7 2
87.85 1.05 1.1113 -3 3 2 2
87.89 1.10 1.1109 -3 2 4 2
88.04 1.41 1.1094 -3 -1 5 2
88.30 1.52 1.1068 0 6 7 2
88.44 1.41 1.1054 0 7 5 2
88.65 1.29 1.1034 -3 -2 3 2
88.83 1.69 1.1016 -1 7 5 2
89.29 1.07 1.0971 -3 3 3 2
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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.