Krotite
Kahlenberg V
European Journal of Mineralogy 13 (2001) 403-410
On the Al/Fe substitution in iron doped monocalcium
aluminate - the crystal structure of CaAl1.8Fe0.2O4
Locality: synthetic
_database_code_amcsd 0006865
CELL PARAMETERS: 8.7580 8.1120 15.3110 90.000 90.210 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1087.761
Density (g/cm3): 2.992
MAX. ABS. INTENSITY / VOLUME**2: 5.535692273
RIR: 0.603
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.62 1.26 7.6142 -1 0 1 2
14.89 4.50 5.9513 1 1 0 4
15.92 3.15 5.5676 0 1 2 4
15.96 4.78 5.5517 -1 1 1 4
15.99 5.40 5.5424 1 1 1 4
18.86 25.34 4.7042 -1 1 2 4
18.91 28.14 4.6929 1 1 2 4
21.91 25.58 4.0560 0 2 0 2
22.68 4.69 3.9208 0 2 1 4
22.93 1.71 3.8789 -1 1 3 4
23.08 1.84 3.8534 2 1 0 4
23.37 1.38 3.8071 -2 0 2 2
23.44 1.42 3.7951 2 0 2 2
23.79 8.97 3.7397 -2 1 1 4
23.83 20.79 3.7340 2 1 1 4
24.84 1.65 3.5840 0 2 2 4
25.74 2.43 3.4617 0 1 4 4
25.85 3.83 3.4464 -2 1 2 4
25.92 3.31 3.4375 2 1 2 4
26.86 7.99 3.3190 -1 2 2 4
26.89 7.13 3.3150 1 2 2 4
27.68 4.38 3.2230 -1 1 4 4
27.74 16.89 3.2157 1 1 4 4
28.10 9.31 3.1754 0 2 3 4
28.99 12.06 3.0800 -2 1 3 4
29.08 1.36 3.0705 2 1 3 4
29.91 94.20 2.9874 -1 2 3 4
29.95 100.00 2.9830 1 2 3 4
30.03 93.81 2.9757 2 2 0 4
30.59 11.20 2.9224 -2 2 1 4
30.62 3.21 2.9196 2 2 1 4
30.90 9.05 2.8939 -1 0 5 2
30.97 3.12 2.8873 1 0 5 2
30.97 1.58 2.8872 -2 0 4 2
31.09 9.44 2.8767 2 0 4 2
31.17 12.36 2.8696 -3 0 1 2
31.21 3.22 2.8657 3 0 1 2
31.22 1.57 2.8649 0 1 5 4
32.15 1.00 2.7838 0 2 4 4
32.25 1.80 2.7758 -2 2 2 4
32.30 2.03 2.7712 2 2 2 4
33.76 1.86 2.6551 -1 2 4 4
34.72 3.36 2.5837 1 3 0 4
35.17 54.76 2.5518 0 0 6 2
35.37 44.69 2.5381 -3 0 3 2
35.48 43.05 2.5300 3 0 3 2
36.70 1.43 2.4488 -1 3 2 4
36.72 9.11 2.4472 1 3 2 4
36.93 22.34 2.4342 0 1 6 4
37.12 21.26 2.4223 -3 1 3 4
37.23 26.13 2.4153 3 1 3 4
37.45 8.27 2.4012 -2 1 5 4
37.65 1.86 2.3894 0 3 3 4
38.20 1.54 2.3557 -1 2 5 4
38.26 1.73 2.3522 1 2 5 4
38.27 4.78 2.3521 -2 2 4 4
38.36 1.64 2.3464 2 2 4 4
38.42 9.23 2.3432 1 1 6 4
38.43 2.56 2.3426 -3 2 1 4
38.46 2.29 2.3405 3 2 1 4
39.06 4.02 2.3061 -1 3 3 4
39.09 3.88 2.3041 1 3 3 4
39.15 5.79 2.3007 2 3 0 4
39.60 13.12 2.2758 -2 3 1 4
39.62 1.32 2.2745 2 3 1 4
40.35 1.45 2.2353 -3 1 4 4
40.86 8.44 2.2085 0 3 4 4
40.86 2.18 2.2083 -2 0 6 2
40.94 6.16 2.2045 -2 3 2 4
40.98 6.80 2.2022 2 3 2 4
41.00 3.08 2.2013 2 0 6 2
41.23 3.50 2.1895 4 0 0 2
41.82 1.03 2.1599 0 2 6 4
42.09 2.69 2.1467 3 2 3 4
42.18 9.48 2.1426 -1 3 4 4
42.22 3.04 2.1404 1 3 4 4
42.57 2.98 2.1239 -1 0 7 2
42.64 1.03 2.1203 1 0 7 2
42.71 2.76 2.1168 -3 0 5 2
42.82 1.11 2.1118 0 1 7 4
42.88 2.15 2.1091 3 0 5 2
42.92 1.59 2.1071 -4 0 2 2
43.01 1.52 2.1030 4 0 2 2
43.16 1.71 2.0959 2 3 3 4
43.23 6.12 2.0930 4 1 1 4
44.68 19.87 2.0280 0 4 0 2
45.10 3.55 2.0104 0 4 1 4
45.93 1.25 1.9757 -1 3 5 4
45.98 1.06 1.9736 1 3 5 4
45.99 2.27 1.9736 -2 3 4 4
46.07 1.60 1.9702 2 3 4 4
46.13 1.88 1.9680 -3 3 1 4
46.16 3.29 1.9667 3 3 1 4
46.44 3.36 1.9554 -4 1 3 4
46.56 1.11 1.9505 4 1 3 4
46.84 21.51 1.9395 -2 2 6 4
46.97 21.62 1.9347 2 2 6 4
47.17 21.84 1.9267 4 2 0 4
48.66 1.07 1.8712 3 2 5 4
48.70 1.31 1.8699 -4 2 2 4
48.79 2.08 1.8664 3 1 6 4
49.09 1.45 1.8559 0 3 6 4
49.24 2.05 1.8506 -3 3 3 4
49.33 1.50 1.8475 3 3 3 4
49.45 2.75 1.8430 -1 4 3 4
49.48 1.92 1.8420 1 4 3 4
49.51 1.96 1.8411 -2 3 5 4
49.53 2.56 1.8402 2 4 0 4
49.61 3.57 1.8377 2 3 5 4
50.22 1.23 1.8165 -1 3 6 4
51.81 2.05 1.7645 -2 2 7 4
51.95 1.60 1.7603 2 2 7 4
52.08 1.45 1.7562 -1 4 4 4
52.08 1.48 1.7560 -2 0 8 2
52.11 1.05 1.7551 1 4 4 4
52.36 1.33 1.7474 3 0 7 2
52.57 1.31 1.7410 -5 0 1 2
52.92 1.27 1.7303 2 4 3 4
53.58 2.12 1.7104 -2 3 6 4
53.69 2.06 1.7071 2 3 6 4
53.88 1.42 1.7016 4 3 0 4
54.26 6.78 1.6907 4 3 1 4
54.91 1.81 1.6721 -5 1 2 4
54.97 1.85 1.6703 -1 3 7 4
55.04 2.74 1.6685 1 3 7 4
55.10 2.10 1.6668 -3 3 5 4
55.23 2.90 1.6630 3 3 5 4
55.27 2.22 1.6621 -4 3 2 4
55.34 1.58 1.6601 4 3 2 4
55.36 1.80 1.6595 1 4 5 4
55.36 1.34 1.6595 -2 4 4 4
55.51 1.34 1.6554 3 4 1 4
55.53 1.09 1.6549 5 0 3 2
56.52 1.18 1.6282 -3 4 2 4
56.57 1.17 1.6268 3 4 2 4
57.00 2.09 1.6156 -4 3 3 4
57.11 2.53 1.6129 4 3 3 4
58.10 3.77 1.5877 0 4 6 4
58.12 1.63 1.5871 0 5 2 4
58.13 2.37 1.5868 -1 5 1 4
58.14 2.40 1.5866 1 5 1 4
58.23 2.74 1.5843 -3 4 3 4
58.26 5.60 1.5837 2 3 7 4
58.31 3.80 1.5824 3 4 3 4
58.62 1.04 1.5748 -5 2 2 4
58.90 4.63 1.5681 -3 3 6 4
58.91 1.72 1.5678 3 1 8 4
59.05 1.21 1.5643 3 3 6 4
59.11 1.04 1.5628 -1 4 6 4
59.14 1.32 1.5622 0 3 8 4
59.15 2.76 1.5619 -1 5 2 4
59.20 1.05 1.5608 5 1 4 4
59.31 3.87 1.5581 -2 1 9 4
59.51 2.52 1.5532 4 3 4 4
59.86 6.74 1.5451 -1 2 9 4
59.94 12.72 1.5433 1 2 9 4
60.08 10.11 1.5400 -4 2 6 4
60.14 6.62 1.5387 -1 3 8 4
60.28 7.68 1.5353 4 2 6 4
60.29 8.20 1.5352 -5 2 3 4
60.41 10.76 1.5322 5 2 3 4
60.58 1.17 1.5284 -3 4 4 4
60.68 1.16 1.5261 3 4 4 4
60.82 7.46 1.5229 -1 5 3 4
60.85 7.01 1.5223 1 5 3 4
60.89 4.83 1.5213 2 5 0 4
61.22 1.12 1.5141 -2 5 1 4
61.23 3.46 1.5137 2 5 1 4
62.20 1.55 1.4925 -2 5 2 4
62.23 1.08 1.4918 2 5 2 4
62.25 1.76 1.4915 2 4 6 4
62.35 4.86 1.4892 -4 3 5 4
62.45 1.27 1.4871 0 4 7 4
62.69 1.28 1.4819 1 1 10 4
62.73 1.08 1.4812 -4 4 1 4
63.12 1.06 1.4728 -1 5 4 4
63.16 16.83 1.4722 -3 0 9 2
63.16 3.35 1.4721 1 5 4 4
63.38 18.10 1.4675 3 0 9 2
63.76 16.79 1.4597 6 0 0 2
63.82 1.01 1.4585 -2 5 3 4
64.51 4.09 1.4445 -5 3 2 4
64.55 2.24 1.4436 2 0 10 2
64.56 1.45 1.4436 -4 0 8 2
64.74 1.15 1.4399 0 3 9 4
65.10 1.80 1.4329 6 0 2 2
65.55 1.61 1.4241 -5 1 6 4
65.68 1.00 1.4216 -1 3 9 4
66.09 1.51 1.4138 -5 3 3 4
66.12 1.04 1.4131 2 5 4 4
66.21 1.07 1.4115 5 3 3 4
67.71 2.90 1.3839 -3 2 9 4
67.93 1.97 1.3800 3 2 9 4
68.29 2.32 1.3734 6 2 0 4
68.43 2.69 1.3710 5 3 4 4
68.74 1.17 1.3655 -6 0 4 2
68.88 1.62 1.3632 -2 5 5 4
68.90 1.50 1.3628 -2 2 10 4
69.06 1.31 1.3600 -4 2 8 4
69.51 1.48 1.3523 1 5 6 4
69.59 1.05 1.3510 6 2 2 4
69.84 3.84 1.3468 0 6 1 4
70.17 1.63 1.3412 4 3 7 4
71.61 1.38 1.3178 -1 3 10 4
72.07 1.53 1.3105 -2 1 11 4
72.26 1.93 1.3075 -2 5 6 4
72.35 1.96 1.3060 2 5 6 4
72.51 2.62 1.3035 4 5 0 4
72.83 2.51 1.2986 4 5 1 4
73.17 1.16 1.2935 5 2 7 4
73.49 1.11 1.2886 1 4 9 4
73.62 1.18 1.2867 -4 4 6 4
73.92 1.43 1.2822 5 4 3 4
74.34 2.34 1.2759 0 0 12 2
74.82 1.95 1.2690 -6 0 6 2
75.09 3.43 1.2650 6 0 6 2
79.92 1.03 1.2003 -4 5 5 4
80.38 1.19 1.1947 0 6 6 4
80.49 1.04 1.1933 -3 6 3 4
80.56 1.39 1.1924 3 6 3 4
80.62 2.85 1.1917 -2 5 8 4
80.64 1.93 1.1914 -3 4 9 4
80.68 1.56 1.1909 -3 5 7 4
80.74 1.77 1.1902 2 5 8 4
80.84 3.90 1.1889 3 5 7 4
80.85 2.20 1.1889 3 4 9 4
81.01 2.57 1.1869 -5 5 1 4
81.05 2.27 1.1865 5 5 1 4
81.19 1.98 1.1847 6 4 0 4
82.12 2.94 1.1737 -2 2 12 4
82.30 2.03 1.1716 2 2 12 4
82.38 2.08 1.1706 -5 2 9 4
82.72 3.56 1.1667 5 2 9 4
82.87 2.37 1.1649 -7 2 3 4
82.95 1.14 1.1641 -1 5 9 4
83.01 1.09 1.1633 1 5 9 4
83.03 2.41 1.1631 7 2 3 4
83.14 1.59 1.1619 -4 5 6 4
83.32 1.17 1.1598 4 5 6 4
85.49 1.07 1.1358 5 5 4 4
86.63 1.94 1.1237 -7 3 2 4
86.91 1.05 1.1209 -1 7 3 4
86.93 1.02 1.1207 1 7 3 4
86.97 1.02 1.1203 2 7 0 4
88.13 1.38 1.1085 5 5 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.