Ba3(Fe0.5In0.5)2(HPO4)6
Tang X, Gentiletti M J, Lachgar A, Morozov V A, Lazoryak B I
Solid State Sciences 3 (2001) 143-153
The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As):
synthesis, crystal structure, thermal stability and Mossbauer spectroscopy
_database_code_amcsd 0015517
CELL PARAMETERS: 9.5020 9.5020 37.1160 90.000 90.000 120.000
SPACE GROUP: R-3c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2902.163
Density (g/cm3): 3.679
MAX. ABS. INTENSITY / VOLUME**2: 31.42060456
RIR: 2.781
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.76 7.48 7.5226 0 1 2 6
14.32 31.13 6.1860 0 0 6 2
14.39 9.35 6.1567 1 0 4 6
18.68 36.57 4.7510 1 1 0 6
20.02 24.41 4.4352 1 1 3 12
22.13 19.06 4.0169 2 0 2 6
23.61 15.32 3.7680 1 1 6 12
23.65 24.05 3.7613 0 2 4 6
26.34 4.21 3.3834 1 0 10 6
28.66 100.00 3.1144 1 1 9 12
28.80 51.30 3.0994 2 1 1 12
28.87 2.57 3.0930 0 0 12 2
29.01 50.06 3.0783 2 0 8 6
29.11 4.20 3.0675 1 2 2 12
30.31 7.77 2.9490 2 1 4 12
31.18 1.22 2.8686 1 2 5 12
32.49 19.32 2.7560 0 2 10 6
32.65 19.03 2.7430 3 0 0 6
33.40 4.43 2.6828 2 1 7 12
35.58 1.37 2.5234 0 1 14 6
35.81 5.60 2.5075 3 0 6 6
38.59 4.88 2.3329 2 2 3 12
39.40 16.81 2.2869 1 2 11 12
39.56 46.67 2.2780 1 3 1 12
39.79 4.51 2.2652 3 1 2 12
40.40 2.22 2.2327 1 0 16 6
40.48 6.27 2.2286 2 0 14 6
40.71 6.83 2.2163 1 3 4 12
41.13 25.42 2.1946 1 1 15 12
41.39 17.86 2.1815 3 1 5 12
43.00 2.45 2.1033 2 1 13 12
43.15 11.08 2.0964 1 3 7 12
43.91 4.48 2.0620 0 0 18 2
43.99 3.74 2.0584 2 2 9 12
44.13 2.58 2.0522 0 3 12 6
44.13 9.30 2.0522 3 0 12 6
44.85 13.18 2.0207 0 2 16 6
46.72 11.42 1.9442 1 3 10 12
48.10 5.49 1.8915 1 1 18 12
48.13 7.16 1.8905 3 1 11 12
48.31 2.99 1.8840 2 2 12 12
48.47 5.04 1.8782 2 3 2 12
49.26 6.44 1.8500 3 2 4 12
51.11 5.22 1.7870 1 2 17 12
51.25 2.65 1.7827 1 3 13 12
51.38 2.60 1.7785 3 2 7 12
51.42 1.29 1.7771 4 1 3 12
52.32 10.38 1.7486 2 3 8 12
52.94 1.91 1.7297 3 1 14 12
53.11 1.92 1.7245 4 1 6 12
53.47 1.37 1.7136 2 2 15 12
54.22 2.88 1.6917 2 0 20 6
54.53 5.24 1.6827 3 2 10 12
55.55 4.80 1.6543 2 1 19 12
55.77 2.98 1.6482 0 3 18 6
55.77 1.53 1.6482 3 0 18 6
56.10 4.11 1.6394 5 0 2 6
56.81 3.57 1.6205 0 5 4 6
58.50 7.65 1.5777 3 1 17 12
58.78 2.58 1.5708 3 3 3 12
59.49 5.42 1.5538 2 4 1 12
59.61 9.59 1.5511 5 0 8 6
59.66 2.26 1.5497 4 2 2 12
59.80 4.05 1.5465 0 0 24 2
60.86 2.46 1.5221 4 2 5 12
61.65 7.96 1.5045 0 5 10 6
62.21 4.49 1.4923 2 4 7 12
62.59 6.19 1.4841 1 3 19 12
62.86 3.47 1.4784 3 3 9 12
63.10 2.35 1.4733 1 5 2 12
63.54 6.03 1.4642 3 2 16 12
65.02 2.53 1.4343 2 4 10 12
65.87 1.05 1.4180 2 2 21 12
66.16 2.20 1.4123 4 2 11 12
66.92 2.56 1.3983 5 0 14 6
68.04 1.11 1.3780 0 4 20 6
68.73 1.51 1.3657 2 4 13 12
69.73 1.84 1.3487 2 0 26 6
69.82 2.15 1.3471 0 3 24 6
70.11 4.96 1.3423 0 5 16 6
70.25 2.24 1.3398 2 1 25 12
70.61 1.18 1.3339 3 3 15 12
71.25 2.04 1.3234 2 3 20 12
71.44 4.28 1.3205 1 1 27 12
71.61 5.98 1.3177 5 2 0 12
71.62 1.95 1.3176 3 1 23 12
72.05 2.32 1.3108 4 3 7 12
73.28 1.43 1.2917 2 4 16 12
73.48 2.54 1.2888 2 5 6 12
73.48 1.49 1.2888 5 2 6 12
74.98 3.01 1.2667 4 2 17 12
75.33 1.93 1.2617 0 2 28 6
75.86 1.65 1.2542 1 6 1 12
76.01 1.36 1.2520 6 1 2 12
76.55 4.95 1.2445 1 3 25 12
77.52 2.51 1.2313 5 0 20 6
78.29 2.03 1.2212 1 6 7 12
78.64 1.99 1.2167 2 4 19 12
78.98 1.95 1.2123 2 5 12 12
78.98 1.47 1.2123 5 2 12 12
79.13 2.14 1.2103 3 1 26 12
81.63 1.17 1.1795 3 3 21 12
82.16 1.02 1.1732 0 7 2 6
82.76 1.28 1.1662 7 0 4 6
84.98 1.15 1.1414 4 4 9 12
85.14 1.80 1.1396 0 7 8 6
85.23 1.83 1.1387 2 3 26 12
87.35 1.42 1.1163 3 1 29 12
87.94 1.15 1.1103 2 5 18 12
87.94 1.79 1.1103 5 2 18 12
89.56 1.33 1.0945 1 1 33 12
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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.