H6 Li6 O21 P6
Toumi M, Hlel F, Ben Chaabane T, Smiri L, Laligant Y, Emery J
European Journal of Solid State and Inorganic Chemistry 45 (1998) 689-697
X-ray powder structure determination of Li6 P6 O18 . 3(H2 O)
_cod_database_code 1000489
_database_code_amcsd 0012632
CELL PARAMETERS: 15.7442 15.7442 12.5486 90.000 90.000 120.000
SPACE GROUP: R-3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2693.811
Density (g/cm3): 2.106
MAX. ABS. INTENSITY / VOLUME**2: 8.278803969
RIR: 1.280
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.58 17.43 9.2334 1 0 1 6
11.24 6.35 7.8721 1 1 0 6
14.79 1.45 5.9905 0 2 1 6
15.55 100.00 5.6998 0 1 2 6
18.61 3.14 4.7671 2 1 1 12
19.23 2.02 4.6167 2 0 2 6
19.53 35.06 4.5450 3 0 0 6
21.24 51.20 4.1829 0 0 3 2
22.32 43.49 3.9824 1 2 2 12
22.59 79.50 3.9360 2 2 0 6
24.09 6.43 3.6938 1 1 3 12
27.11 3.50 3.2895 4 0 1 6
27.54 13.33 3.2388 3 1 2 12
29.01 14.75 3.0778 0 3 3 6
29.01 9.17 3.0778 3 0 3 6
29.21 1.85 3.0573 1 0 4 6
29.43 4.99 3.0352 3 2 1 12
29.83 22.63 2.9952 0 4 2 6
30.03 36.32 2.9754 4 1 0 12
31.20 12.02 2.8665 2 2 3 12
31.97 1.50 2.7994 2 3 2 12
33.63 7.20 2.6648 0 5 1 6
34.17 2.46 2.6240 3 3 0 6
35.91 27.30 2.5010 5 0 2 6
36.40 1.72 2.4683 0 1 5 6
37.08 7.22 2.4246 1 4 3 12
37.08 1.29 2.4246 4 1 3 12
37.24 6.39 2.4145 1 3 4 12
37.74 12.38 2.3836 4 2 2 12
39.50 6.25 2.2813 1 5 2 12
39.66 1.43 2.2725 6 0 0 6
42.84 2.17 2.1109 3 4 2 12
43.26 1.48 2.0914 0 0 6 2
43.27 15.36 2.0911 3 1 5 12
44.15 1.04 2.0513 1 6 1 12
45.42 3.79 1.9968 6 0 3 6
45.56 1.34 1.9912 2 4 4 12
45.98 6.14 1.9737 6 1 2 12
46.12 2.98 1.9680 4 4 0 6
46.94 7.85 1.9355 2 5 3 12
47.08 1.34 1.9304 5 1 4 12
48.96 6.80 1.8603 0 7 2 6
48.96 1.47 1.8603 5 3 2 12
49.34 1.93 1.8469 2 2 6 12
50.54 5.16 1.8060 7 1 0 12
52.19 6.48 1.7527 1 5 5 12
53.56 2.04 1.7110 1 4 6 12
54.56 3.76 1.6819 4 5 2 12
54.92 1.59 1.6718 3 4 5 12
55.41 2.33 1.6580 1 7 3 12
56.86 1.10 1.6194 6 2 4 12
57.22 4.30 1.6100 7 2 2 12
57.56 7.11 1.6012 6 1 5 12
58.04 1.74 1.5890 3 6 3 12
58.64 3.83 1.5744 5 5 0 6
60.13 2.58 1.5388 5 3 5 12
60.57 1.04 1.5286 2 0 8 6
61.06 5.53 1.5176 6 4 2 12
61.39 1.53 1.5102 2 6 5 12
61.95 3.07 1.4980 0 5 7 6
62.42 1.46 1.4877 8 2 0 12
63.09 2.13 1.4735 5 5 3 12
64.29 1.57 1.4489 3 1 8 12
64.41 1.30 1.4465 5 1 7 12
65.51 2.04 1.4249 0 4 8 6
65.76 1.01 1.4201 6 5 1 12
67.17 1.71 1.3936 5 6 2 12
67.49 2.77 1.3879 7 2 5 12
69.08 2.10 1.3597 5 0 8 6
69.19 1.87 1.3577 1 6 7 12
69.54 2.01 1.3519 8 3 2 12
69.85 2.92 1.3467 1 8 5 12
71.01 2.27 1.3274 6 4 5 12
71.42 2.82 1.3209 1 5 8 12
71.53 1.32 1.3191 3 5 7 12
71.97 1.58 1.3120 6 6 0 6
72.70 1.23 1.3007 6 5 4 12
73.12 3.08 1.2942 10 1 0 12
73.72 1.95 1.2852 3 4 8 12
76.02 1.86 1.2519 6 6 3 12
76.19 1.00 1.2496 1 0 10 6
76.73 5.26 1.2420 5 6 5 12
77.15 4.79 1.2363 10 1 3 12
77.15 1.45 1.2363 1 10 3 12
78.36 1.44 1.2203 2 7 7 12
78.44 1.20 1.2192 2 1 10 12
78.69 1.79 1.2160 11 0 2 6
79.40 2.00 1.2069 9 3 3 12
81.71 2.16 1.1785 4 6 7 12
81.79 1.06 1.1776 4 0 10 6
85.11 3.45 1.1400 0 5 10 6
87.23 1.59 1.1176 6 5 7 12
87.84 1.85 1.1114 11 0 5 6
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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.