Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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INDIALITE
9, t-beryl, syn, f-cordierite, s-cordierite
Fe(2)Al(4)Si(5)O(18)
Hexagonal P 6/mcc Z = 2
R =0.0314 NR =370
27 .8 .14
Ref.Str.:
Haefeker U., Kaindl R., Tropper P., Kruger H., Kahlenberg V.,
Orlova M. (2014) * Mineral. and Petrol., 108, 469-478
R: In original - cordierite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8801 alpha = 90.0
b = 9.8801 beta = 90.0
c = 9.2852 gamma = 120.0
Unit cell volume (cub. angs.) = 784.95
Molar volume ( cub.cm/mol.) = 236.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6667 0.3333 0.25 0.0 Fe = 1.00
2 0.5 0.5 0.25 0.0 Al = 0.67, Si = 0.33
3 0.3684 0.1035 0.0 0.0 Al = 0.33, Si = 0.67
4 0.4805 0.1319 0.1449 0.0 O = 1.00
5 0.2277 0.9218 0.0 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6667 0.3333 0.25
2 2 0.5 0.5 0.25
3 3 0.3684 0.1035 0.0
4 4 0.4805 0.1319 0.1449
5 5 0.2277 0.9218 0.0
6 2 0.5 0.0 0.25
7 2 0.0 0.5 0.25
8 3 0.8965 0.2649 0.0
9 3 0.7351 0.6316 0.0
10 4 0.8681 0.3486 0.1449
11 4 0.6514 0.5195 0.1449
12 5 0.0782 0.3059 0.0
13 5 0.6941 0.7723 0.0
14 1 0.3333 0.6667 0.25
15 3 0.6316 0.8965 0.0
16 4 0.5195 0.8681 0.1449
17 5 0.7723 0.0782 0.0
18 3 0.1035 0.7351 0.0
19 3 0.2649 0.3684 0.0
20 4 0.1319 0.6514 0.1449
21 4 0.3486 0.4805 0.1449
22 5 0.9218 0.6941 0.0
23 5 0.3059 0.2277 0.0
24 1 0.6667 0.3334 0.75
25 2 0.5 0.0 0.75
26 3 0.3684 0.265 0.5
27 4 0.4805 0.3486 0.6449
28 5 0.2277 0.3059 0.5
29 2 0.5 0.5 0.75
30 2 0.0 0.5 0.75
31 3 0.8965 0.6316 0.5
32 3 0.7351 0.1035 0.5
33 4 0.8681 0.5195 0.6449
34 4 0.6514 0.1319 0.6449
35 5 0.0782 0.7723 0.5
36 5 0.6941 0.9218 0.5
37 1 0.3333 0.6666 0.75
38 3 0.6316 0.735 0.5
39 4 0.5195 0.6514 0.6449
40 5 0.7723 0.6941 0.5
41 3 0.1035 0.3684 0.5
42 3 0.2649 0.8965 0.5
43 4 0.1319 0.4805 0.6449
44 4 0.3486 0.8681 0.6449
45 5 0.9218 0.2277 0.5
46 5 0.3059 0.0782 0.5
47 4 0.4805 0.1319 0.8551
48 4 0.8681 0.3486 0.8551
49 4 0.6514 0.5195 0.8551
50 4 0.5195 0.8681 0.8551
51 4 0.1319 0.6514 0.8551
52 4 0.3486 0.4805 0.8551
53 4 0.4805 0.3486 0.3551
54 4 0.8681 0.5195 0.3551
55 4 0.6514 0.1319 0.3551
56 4 0.5195 0.6514 0.3551
57 4 0.1319 0.4805 0.3551
58 4 0.3486 0.8681 0.3551
X-ray density (g/cm cub.) = 2.74
MU (1/cm) = 217.691 Mass attenuation coefficient (cm**2/g) = 79.424
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.1532 4
2.1529 4
2.1537 4
2.1537 4
2.1533 4
2.1528 4
2 Al ,Si 2.316 4
1.7146 4
1.7146 4
1.7146 4
1.7146 4
3 Al ,Si 2.316 4
1.6742 4
1.6307 5
1.6268 5
1.6742 4
4 O 3.264 7
2.678 5
2.8189 4
2.7044 5
2.6899 4
2.8977 4
2.5815 4
2.9847 4
5 O 3.264 6
2.678 4
2.7043 4
2.7196 5
2.7196 5
2.678 4
2.7043 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 5.165 10.33 0.058 243.81 6 107.0 2717.7
2 1 1 0 8.97 17.941 0.101 79.33 6 25.0 48.2
3 0 0 2 9.55 19.101 0.108 69.73 2 27.5 17.2
4 2 0 0 10.373 20.745 0.117 58.79 6 14.6 12.2
5 1 0 2 10.881 21.761 0.123 53.23 12 98.2 998.9
6 1 1 2 13.161 26.322 0.148 35.73 12 139.5 1354.8
7 2 1 0 13.779 27.558 0.155 32.41 12 16.2 16.6
8 2 0 2 14.172 28.344 0.159 30.53 12 91.7 500.1
9 2 1 1 14.609 29.217 0.164 28.62 24 95.2 1010.5
10 3 0 0 15.668 31.337 0.175 24.63 6 63.9 97.9
11 2 1 2 16.874 33.748 0.188 20.98 24 76.7 480.1
12 2 2 0 18.171 36.342 0.202 17.84 6 105.5 193.3
13 3 0 2 18.479 36.959 0.206 17.2 12 8.3 2.3
14 3 1 0 18.94 37.881 0.211 16.29 12 11.2 4.0
15 0 0 4 19.38 38.76 0.215 15.48 2 194.4 189.9
16 3 1 1 19.574 39.147 0.217 15.14 24 20.1 23.7
17 1 0 4 20.11 40.22 0.223 14.26 12 6.2 1.1
18 2 1 3 20.15 40.3 0.224 14.2 24 28.1 43.8
19 2 2 2 20.686 41.371 0.229 13.39 12 83.7 182.7
20 4 0 0 21.106 42.212 0.234 12.8 6 38.5 18.5
21 3 1 2 21.379 42.758 0.237 12.44 24 72.5 254.5
22 1 1 4 21.509 43.017 0.238 12.27 12 8.7 1.8
23 2 0 4 22.181 44.362 0.245 11.45 12 52.8 62.2
24 3 2 0 23.104 46.208 0.255 10.44 12 73.6 110.1
25 4 0 2 23.358 46.717 0.257 10.19 12 30.6 18.5
26 3 2 1 23.646 47.291 0.26 9.91 24 26.8 27.6
27 2 1 4 24.108 48.217 0.265 9.48 24 43.0 68.4
28 3 1 3 24.143 48.286 0.265 9.45 24 64.6 153.5
29 4 1 0 24.365 48.729 0.268 9.26 12 96.5 167.9
30 4 1 1 24.885 49.77 0.273 8.82 24 42.9 63.2
31 3 2 2 25.216 50.433 0.277 8.56 24 14.4 6.9
32 3 0 4 25.331 50.662 0.278 8.47 12 106.4 186.9
33 4 1 2 26.401 52.802 0.289 7.71 24 65.1 127.2
34 5 0 0 26.751 53.503 0.292 7.48 6 145.4 154.0
35 2 2 4 27.089 54.178 0.296 7.27 12 176.6 441.6
36 3 1 4 27.657 55.315 0.301 6.94 24 41.1 45.7
37 3 2 3 27.689 55.378 0.302 6.92 24 28.8 22.3
38 3 3 0 27.89 55.78 0.304 6.81 6 43.1 12.3
39 4 2 0 28.448 56.896 0.309 6.51 12 46.6 27.5
40 2 1 5 28.575 57.15 0.31 6.44 24 27.4 18.9
41 5 0 2 28.667 57.335 0.311 6.4 12 10.5 1.4
42 4 1 3 28.803 57.606 0.313 6.33 24 71.8 126.9
43 4 2 1 28.916 57.832 0.314 6.27 24 0.6 0.0
44 4 0 4 29.319 58.638 0.318 6.08 12 22.4 6.0
45 3 3 2 29.757 59.515 0.322 5.88 12 88.1 88.9
46 0 0 6 29.851 59.702 0.323 5.84 2 98.6 18.4
47 5 1 0 30.081 60.163 0.325 5.74 12 32.8 12.0
48 4 2 2 30.293 60.587 0.327 5.65 24 25.6 14.4
49 1 0 6 30.386 60.772 0.328 5.61 12 38.0 15.8
50 5 1 1 30.534 61.068 0.33 5.55 24 14.2 4.3
51 3 2 4 30.924 61.848 0.334 5.4 24 83.1 145.1
52 1 1 6 31.44 62.879 0.339 5.2 12 96.3 93.9
53 3 1 5 31.782 63.565 0.342 5.08 24 27.1 14.5
54 5 1 2 31.869 63.738 0.343 5.05 24 81.0 129.2
55 2 0 6 31.959 63.918 0.344 5.02 12 48.8 23.3
56 4 1 4 31.967 63.935 0.344 5.02 24 0.7 0.0
57 4 2 3 32.511 65.021 0.349 4.84 24 30.5 17.5
58 6 0 0 32.693 65.387 0.351 4.78 6 97.1 43.8
59 4 3 0 33.202 66.404 0.355 4.62 12 36.5 12.0
60 2 1 6 33.491 66.981 0.358 4.54 24 69.9 86.4
61 4 3 1 33.631 67.262 0.36 4.5 24 3.9 0.3
62 5 0 4 34.001 68.003 0.363 4.4 12 52.0 23.2
63 5 1 3 34.029 68.058 0.363 4.39 24 8.3 1.2
64 5 2 0 34.208 68.416 0.365 4.34 12 98.3 81.7
65 6 0 2 34.406 68.812 0.367 4.29 12 167.8 235.2
66 3 0 6 34.492 68.985 0.368 4.27 12 24.9 5.2
67 5 2 1 34.631 69.261 0.369 4.24 24 69.0 78.5
68 3 2 5 34.819 69.639 0.371 4.19 24 22.5 8.2
69 4 3 2 34.902 69.804 0.371 4.17 24 13.6 3.0
70 3 3 4 34.996 69.992 0.372 4.15 12 16.6 2.2
71 4 2 4 35.489 70.978 0.377 4.03 24 64.7 65.8
72 4 1 5 35.804 71.608 0.38 3.96 24 49.6 37.9
73 5 2 2 35.886 71.771 0.38 3.94 24 30.0 13.8
74 2 2 6 35.971 71.941 0.381 3.93 12 99.0 74.9
75 6 1 0 36.18 72.36 0.383 3.88 12 47.0 16.7
76 3 1 6 36.458 72.915 0.386 3.82 24 64.3 61.6
77 6 1 1 36.593 73.186 0.387 3.8 24 2.7 0.1
78 5 1 4 36.95 73.9 0.39 3.73 24 4.4 0.3
79 4 3 3 36.977 73.954 0.39 3.72 24 71.3 73.7
80 6 1 2 37.821 75.642 0.398 3.57 24 32.5 14.7
81 4 0 6 37.904 75.809 0.399 3.56 12 51.2 18.2
82 5 2 3 37.939 75.878 0.399 3.55 24 44.6 27.5
83 4 4 0 38.587 77.174 0.405 3.45 6 39.1 5.1
84 2 1 7 38.877 77.754 0.407 3.41 24 74.9 74.5
85 5 3 0 39.062 78.125 0.409 3.38 12 52.4 18.1
86 7 0 0 39.062 78.125 0.409 3.38 6 82.0 22.1
87 4 2 5 39.171 78.342 0.41 3.37 24 15.8 3.3
88 3 2 6 39.333 78.666 0.411 3.34 24 17.3 3.9
89 6 0 4 39.341 78.681 0.411 3.34 12 2.2 0.0
90 5 3 1 39.465 78.929 0.413 3.32 24 2.5 0.1
91 4 3 4 39.813 79.627 0.416 3.28 24 80.0 81.7
92 6 1 3 39.84 79.679 0.416 3.28 24 35.0 15.7
93 4 4 2 40.195 80.39 0.419 3.23 12 123.5 96.0
94 4 1 6 40.277 80.554 0.42 3.22 24 16.6 3.4
95 6 2 0 40.479 80.958 0.421 3.2 12 35.1 7.7
96 5 1 5 40.587 81.174 0.422 3.18 24 3.5 0.2
97 5 3 2 40.665 81.331 0.423 3.18 24 36.5 16.4
98 7 0 2 40.665 81.331 0.423 3.18 12 16.7 1.7
99 5 2 4 40.755 81.51 0.424 3.17 24 103.3 131.6
100 6 2 1 40.878 81.756 0.425 3.15 24 20.6 5.2
101 0 0 8 41.58 83.16 0.431 3.08 2 243.4 59.2
102 3 1 7 41.702 83.405 0.432 3.07 24 9.1 1.0
103 1 0 8 42.047 84.094 0.435 3.03 12 40.0 9.4
104 6 2 2 42.07 84.14 0.435 3.03 24 27.6 9.0
105 5 0 6 42.151 84.302 0.436 3.02 12 21.2 2.6
106 6 1 4 42.625 85.25 0.44 2.98 24 45.3 23.9
107 5 3 3 42.651 85.302 0.44 2.98 24 8.8 0.9
108 7 1 0 42.817 85.635 0.441 2.97 12 6.8 0.3
109 1 1 8 42.979 85.959 0.443 2.96 12 10.7 0.7
110 3 3 6 43.083 86.166 0.443 2.95 12 90.9 47.4
111 7 1 1 43.213 86.425 0.444 2.94 24 42.1 20.2
112 4 3 5 43.39 86.779 0.446 2.93 24 30.9 10.9
113 2 0 8 43.445 86.889 0.446 2.92 12 11.3 0.7
114 4 2 6 43.548 87.096 0.447 2.91 24 12.5 1.8
115 6 2 3 44.046 88.093 0.451 2.88 24 25.7 7.4
116 5 2 5 44.319 88.638 0.454 2.87 24 49.9 27.8
117 7 1 2 44.397 88.793 0.454 2.86 24 26.4 7.8
118 3 2 7 44.496 88.991 0.455 2.85 24 16.5 3.0
119 5 4 0 44.677 89.354 0.456 2.85 12 22.4 2.8
120 2 1 8 44.838 89.677 0.458 2.84 24 14.0 2.2
121 5 1 6 44.942 89.884 0.459 2.83 24 54.3 32.5
122 4 4 4 44.949 89.899 0.459 2.83 12 63.3 22.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 5.165 10.33 8.55642 2717.7 100.0 100.0 5.6
2 1 1 0 8.97 17.941 4.94005 48.2 1.8 1.8 5.6
3 1 0 2 10.881 21.761 4.08063 998.9 36.8 36.5 5.6
4 1 1 2 13.161 26.322 3.38308 1354.8 49.9 49.3 5.6
5 2 0 2 14.172 28.344 3.1461 500.1 18.4 18.2 5.6
6 2 1 1 14.609 29.217 3.05408 1010.5 37.2 36.7 5.6
7 3 0 0 15.668 31.337 2.85214 97.9 3.6 3.6 5.6
8 2 1 2 16.874 33.748 2.65365 480.1 17.7 17.4 5.7
9 2 2 0 18.171 36.342 2.47002 193.3 7.1 7.0 5.7
10 0 0 4 19.38 38.76 2.3213 189.9 7.0 6.8 5.7
11 2 1 3 20.15 40.3 2.23605 43.8 1.6 1.6 5.7
12 2 2 2 20.686 41.371 2.18061 182.7 6.7 6.6 5.7
13 3 1 2 21.379 42.758 2.11307 254.5 9.4 9.1 5.7
14 2 0 4 22.181 44.362 2.04031 62.2 2.3 2.2 5.7
15 3 2 0 23.104 46.208 1.96298 110.1 4.1 3.9 5.7
16 3 2 1 23.646 47.291 1.92053 27.6 1.0 1.0 5.7
17 2 1 4 24.108 48.217 1.8858 68.4 2.5 2.4 5.7
18 3 1 3 24.143 48.286 1.88326 153.5 5.6 5.5 5.7
19 4 1 0 24.365 48.729 1.86716 167.9 6.2 6.0 5.7
20 4 1 1 24.885 49.77 1.83052 63.2 2.3 2.2 5.7
21 3 0 4 25.331 50.662 1.80038 186.9 6.9 6.6 5.8
22 4 1 2 26.401 52.802 1.73231 127.2 4.7 4.5 5.8
23 5 0 0 26.751 53.503 1.71128 154.0 5.7 5.5 5.8
24 2 2 4 27.089 54.178 1.69154 441.6 16.2 15.6 5.8
25 3 1 4 27.657 55.315 1.65943 45.7 1.7 1.6 5.8
26 4 2 0 28.448 56.896 1.61701 27.5 1.0 1.0 5.8
27 4 1 3 28.803 57.606 1.59877 126.9 4.7 4.5 5.8
28 3 3 2 29.757 59.515 1.55195 88.9 3.3 3.1 5.8
29 3 2 4 30.924 61.848 1.49889 145.1 5.3 5.1 5.8
30 1 1 6 31.44 62.879 1.47677 93.9 3.5 3.3 5.9
31 5 1 2 31.869 63.738 1.45893 129.2 4.8 4.5 5.9
32 6 0 0 32.693 65.387 1.42607 43.8 1.6 1.5 5.9
33 2 1 6 33.491 66.981 1.39594 86.4 3.2 3.0 5.9
34 5 2 0 34.208 68.416 1.37012 81.7 3.0 2.8 5.9
35 6 0 2 34.406 68.812 1.36321 235.2 8.7 8.1 5.9
36 5 2 1 34.631 69.261 1.35545 78.5 2.9 2.7 5.9
37 4 2 4 35.489 70.978 1.32682 65.8 2.4 2.3 5.9
38 4 1 5 35.804 71.608 1.31669 37.9 1.4 1.3 5.9
39 2 2 6 35.971 71.941 1.31141 74.9 2.8 2.6 5.9
40 3 1 6 36.458 72.915 1.29627 61.6 2.3 2.1 6.0
41 4 3 3 36.977 73.954 1.28061 73.7 2.7 2.5 6.0
42 5 2 3 37.939 75.878 1.25285 27.5 1.0 0.9 6.0
43 2 1 7 38.877 77.754 1.22724 74.5 2.7 2.5 6.0
44 7 0 0 39.062 78.125 1.22235 40.2 1.5 1.4 6.0
45 4 3 4 39.813 79.627 1.20302 97.3 3.6 3.3 6.0
46 4 4 2 40.195 80.39 1.1935 96.0 3.5 3.2 6.0
47 5 2 4 40.755 81.51 1.17992 131.6 4.8 4.4 6.1
48 0 0 8 41.58 83.16 1.16065 59.2 2.2 2.0 6.1
49 3 3 6 43.083 86.166 1.12769 47.4 1.7 1.6 6.1
50 5 2 5 44.319 88.638 1.10252 27.8 1.0 0.9 6.2
51 5 1 6 44.942 89.884 1.09045 54.6 2.0 1.8 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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