AgBaC3H2O6P.3H2O
Weichsel A, Lis T
Acta Crystallographica C46 (1990) 962-965
Structure of silver(I) barium phosphoenolpyruvate trihydrate
_database_code_amcsd 0010137
CELL PARAMETERS: 6.5780 23.8110 6.6100 90.000 90.570 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1035.265
Density (g/cm3): 2.978
MAX. ABS. INTENSITY / VOLUME**2: 38.78211406
RIR: 4.240
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.40 100.00 6.6097 0 0 1 2
13.90 1.25 6.3688 0 1 1 4
13.97 6.24 6.3402 1 1 0 4
17.51 2.69 5.0645 1 3 0 4
19.31 14.37 4.5976 -1 1 1 4
19.49 6.91 4.5537 1 1 1 4
20.12 19.13 4.4137 1 4 0 4
20.37 2.41 4.3602 -1 2 1 4
20.55 15.81 4.3228 1 2 1 4
22.03 2.23 4.0350 -1 3 1 4
22.19 16.67 4.0053 1 3 1 4
22.40 1.94 3.9685 0 6 0 2
24.17 32.99 3.6819 -1 4 1 4
24.32 21.36 3.6593 1 4 1 4
26.19 1.07 3.4023 0 6 1 4
26.83 1.33 3.3231 1 5 1 4
26.98 5.19 3.3048 0 0 2 2
27.11 2.37 3.2888 2 0 0 2
28.15 6.95 3.1701 2 2 0 4
29.40 3.74 3.0383 2 3 0 4
29.53 1.54 3.0245 0 7 1 4
29.56 1.66 3.0215 1 7 0 4
29.62 3.35 3.0157 1 6 1 4
30.02 11.50 2.9764 0 8 0 2
30.23 2.82 2.9562 -2 0 1 2
30.38 3.76 2.9422 -1 1 2 4
30.47 2.08 2.9337 -2 1 1 4
30.48 1.23 2.9329 2 0 1 2
30.63 13.79 2.9192 1 1 2 4
31.09 2.74 2.8770 -1 2 2 4
31.17 7.43 2.8691 -2 2 1 4
31.33 3.10 2.8555 1 2 2 4
31.41 3.34 2.8477 2 2 1 4
32.32 4.91 2.7703 -2 3 1 4
32.46 4.01 2.7580 1 3 2 4
32.53 1.26 2.7527 -1 7 1 4
32.55 3.42 2.7510 2 3 1 4
32.64 1.94 2.7432 1 7 1 4
33.01 20.95 2.7139 0 8 1 4
33.10 2.64 2.7062 2 5 0 4
33.77 15.06 2.6539 -1 4 2 4
34.00 9.44 2.6370 1 4 2 4
35.45 11.19 2.5323 2 6 0 4
35.75 2.50 2.5116 -2 5 1 4
35.96 1.51 2.4973 2 5 1 4
36.61 3.56 2.4546 1 9 0 4
37.95 1.02 2.3707 -2 6 1 4
37.96 2.12 2.3703 0 7 2 4
38.08 2.00 2.3630 1 6 2 4
38.16 3.40 2.3586 2 6 1 4
38.42 2.40 2.3429 -2 0 2 2
38.82 1.65 2.3197 2 0 2 2
39.01 2.72 2.3088 2 1 2 4
39.10 4.15 2.3038 -1 9 1 4
39.19 3.80 2.2988 -2 2 2 4
39.20 1.51 2.2982 1 9 1 4
39.58 3.13 2.2769 2 2 2 4
40.13 2.66 2.2470 -2 3 2 4
40.28 1.07 2.2389 1 10 0 4
40.55 1.08 2.2249 1 7 2 4
40.80 14.02 2.2116 0 8 2 4
40.89 6.60 2.2068 2 8 0 4
40.96 3.97 2.2032 0 0 3 2
41.90 4.45 2.1563 3 2 0 4
42.59 2.74 2.1227 -1 10 1 4
42.68 2.41 2.1184 1 10 1 4
43.03 2.49 2.1022 -2 5 2 4
43.13 2.06 2.0975 -2 8 1 4
43.62 1.94 2.0750 1 1 3 4
44.05 5.79 2.0559 -3 2 1 4
44.31 6.66 2.0441 3 2 1 4
45.28 1.98 2.0027 2 6 2 4
45.91 7.96 1.9765 -1 4 3 4
46.17 3.69 1.9660 1 4 3 4
46.28 1.03 1.9616 1 11 1 4
47.12 1.78 1.9287 2 10 0 4
47.37 3.82 1.9191 3 6 0 4
47.88 3.07 1.8997 1 12 0 4
49.07 1.11 1.8565 -1 10 2 4
49.13 1.11 1.8544 -2 10 1 4
49.23 1.14 1.8507 1 10 2 4
49.28 1.05 1.8492 0 7 3 4
49.29 1.84 1.8486 2 10 1 4
49.33 2.63 1.8473 -3 6 1 4
49.58 4.19 1.8387 3 6 1 4
49.91 4.17 1.8272 -1 12 1 4
49.99 2.64 1.8244 1 12 1 4
50.30 3.04 1.8140 -3 2 2 4
50.68 2.13 1.8011 2 2 3 4
50.78 2.47 1.7979 3 2 2 4
50.98 1.12 1.7915 -2 3 3 4
51.61 3.43 1.7708 0 8 3 4
53.41 2.22 1.7155 -2 5 3 4
55.13 1.73 1.6659 -3 6 2 4
55.49 1.58 1.6559 2 6 3 4
55.59 2.09 1.6534 3 6 2 4
55.62 2.01 1.6524 0 0 4 2
55.74 2.67 1.6490 -1 12 2 4
55.89 1.46 1.6449 1 12 2 4
56.49 1.72 1.6290 4 2 0 4
58.20 1.27 1.5853 -4 2 1 4
58.83 1.15 1.5696 -3 10 1 4
59.05 1.64 1.5643 3 10 1 4
59.61 1.88 1.5509 -1 4 4 4
59.71 1.16 1.5486 -3 2 3 4
62.40 1.37 1.4882 0 16 0 2
63.77 1.86 1.4596 2 2 4 4
64.07 1.11 1.4534 -3 6 3 4
64.15 1.46 1.4518 0 16 1 4
64.47 1.02 1.4453 3 10 2 4
64.50 1.91 1.4447 0 8 4 4
64.69 1.21 1.4409 3 6 3 4
64.70 1.29 1.4408 -1 12 3 4
64.90 1.05 1.4367 1 12 3 4
66.00 1.05 1.4155 -2 5 4 4
69.24 1.00 1.3570 0 16 2 4
74.84 1.05 1.2687 -1 4 5 4
75.54 1.06 1.2587 5 4 1 4
77.38 1.01 1.2332 0 16 3 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.