Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
INDIALITE
8, syn, Co-analogue
Co(2)Al(4)Si(5)O(18)
Hexagonal P 6/mcc Z = 2
R =0.064
13 .3 .1902
Ref.Str.:
K. Knorr, M. Meschke, B. Winkler (1999)
* Phys. Chem. Minerals, 26, 521-529
Reserv: In original - cordierite.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.841 alpha = 90.0
b = 9.841 beta = 90.0
c = 9.372 gamma = 120.0
Unit cell volume (cub. angs.) = 786.03
Molar volume ( cub.cm/mol.) = 236.73
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.25 0.0 Mg = 1.00
2 0.5 0.5 0.25 0.0 Al = 0.67, Si = 0.33
3 0.367 0.262 0.0 0.0 Al = 0.33, Si = 0.67
4 0.4809 0.3462 0.1433 0.0 O = 1.00
5 0.2273 0.3038 0.0 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.25
2 2 0.5 0.5 0.25
3 3 0.367 0.262 0.0
4 4 0.4809 0.3462 0.1433
5 5 0.2273 0.3038 0.0
6 2 0.5 0.0 0.25
7 2 0.0 0.5 0.25
8 3 0.738 0.105 0.0
9 3 0.895 0.633 0.0
10 4 0.6538 0.1347 0.1433
11 4 0.8653 0.5191 0.1433
12 5 0.6962 0.9235 0.0
13 5 0.0765 0.7727 0.0
14 1 0.6667 0.3333 0.25
15 3 0.633 0.738 0.0
16 4 0.5191 0.6538 0.1433
17 5 0.7727 0.6962 0.0
18 3 0.262 0.895 0.0
19 3 0.105 0.367 0.0
20 4 0.3462 0.8653 0.1433
21 4 0.1347 0.4809 0.1433
22 5 0.3038 0.0765 0.0
23 5 0.9235 0.2273 0.0
24 1 0.3333 0.6666 0.75
25 2 0.5 0.0 0.75
26 3 0.367 0.105 0.5
27 4 0.4809 0.1347 0.6433
28 5 0.2273 0.9235 0.5
29 2 0.5 0.5 0.75
30 2 0.0 0.5 0.75
31 3 0.738 0.633 0.5
32 3 0.895 0.262 0.5
33 4 0.6538 0.5191 0.6433
34 4 0.8653 0.3462 0.6433
35 5 0.6962 0.7727 0.5
36 5 0.0765 0.3038 0.5
37 1 0.6667 0.3334 0.75
38 3 0.633 0.895 0.5
39 4 0.5191 0.8653 0.6433
40 5 0.7727 0.0765 0.5
41 3 0.262 0.367 0.5
42 3 0.105 0.738 0.5
43 4 0.3462 0.4809 0.6433
44 4 0.1347 0.6538 0.6433
45 5 0.3038 0.2273 0.5
46 5 0.9235 0.6962 0.5
47 4 0.4809 0.3462 0.8567
48 4 0.6538 0.1347 0.8567
49 4 0.8653 0.5191 0.8567
50 4 0.5191 0.6538 0.8567
51 4 0.3462 0.8653 0.8567
52 4 0.1347 0.4809 0.8567
53 4 0.4809 0.1347 0.3567
54 4 0.6538 0.5191 0.3567
55 4 0.8653 0.3462 0.3567
56 4 0.5191 0.8653 0.3567
57 4 0.3462 0.4809 0.3567
58 4 0.1347 0.6538 0.3567
X-ray density (g/cm cub.) = 2.47
MU (1/cm) = 80.013 Mass attenuation coefficient (cm**2/g) = 32.385
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1428 4
2.142 4
2.1423 4
2.1423 4
2.1429 4
2.142 4
2 Al ,Si 2.316 4
1.744 4
1.744 4
1.744 4
1.744 4
3 Al ,Si 2.316 4
1.6787 4
1.6201 5
1.6074 5
1.6787 4
4 O 3.264 7
2.6767 5
2.8577 4
2.6943 5
2.686 4
2.8865 4
2.6259 4
3.0448 4
5 O 3.264 6
2.6767 4
2.6945 4
2.6933 5
2.6935 5
2.6767 4
2.6945 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 5.186 10.371 0.059 241.86 6 80.5 1523.6
2 1 1 0 9.006 18.013 0.102 78.68 6 70.2 376.9
3 0 0 2 9.461 18.922 0.107 71.09 2 78.2 140.7
4 2 0 0 10.414 20.828 0.117 58.3 6 3.3 0.6
5 1 0 2 10.812 21.624 0.122 53.93 12 75.7 600.0
6 1 1 2 13.12 26.24 0.147 35.96 12 95.4 635.9
7 2 1 0 13.835 27.67 0.155 32.14 12 6.4 2.6
8 2 0 2 14.142 28.284 0.159 30.67 12 114.1 774.9
9 2 1 1 14.647 29.293 0.164 28.46 24 95.4 1005.9
10 3 0 0 15.732 31.465 0.176 24.41 6 18.1 7.8
11 2 1 2 16.868 33.737 0.188 20.99 24 55.2 248.9
12 2 2 0 18.246 36.491 0.203 17.68 6 67.0 77.0
13 3 0 2 18.486 36.973 0.206 17.18 12 28.6 27.3
14 3 1 0 19.019 38.037 0.212 16.14 12 9.2 2.6
15 0 0 4 19.193 38.387 0.213 15.82 2 153.5 120.6
16 3 1 1 19.638 39.276 0.218 15.03 24 19.1 21.2
17 1 0 4 19.935 39.87 0.221 14.54 12 15.0 6.4
18 2 1 3 20.089 40.178 0.223 14.29 24 28.0 43.5
19 2 2 2 20.709 41.418 0.23 13.36 12 43.8 49.7
20 4 0 0 21.194 42.388 0.235 12.68 6 15.2 2.8
21 1 1 4 21.354 42.708 0.236 12.47 12 46.8 53.0
22 3 1 2 21.407 42.813 0.237 12.4 24 55.4 147.7
23 2 0 4 22.035 44.07 0.244 11.62 12 34.4 26.8
24 3 2 0 23.201 46.403 0.256 10.34 12 55.7 62.4
25 4 0 2 23.4 46.799 0.258 10.15 12 47.4 44.2
26 3 2 1 23.731 47.462 0.261 9.83 24 21.9 18.3
27 2 1 4 23.987 47.974 0.264 9.59 24 27.8 28.7
28 3 1 3 24.12 48.239 0.265 9.47 24 65.6 158.3
29 4 1 0 24.468 48.935 0.269 9.17 12 60.3 64.7
30 4 1 1 24.977 49.954 0.274 8.75 24 45.5 70.2
31 3 0 4 25.223 50.447 0.277 8.56 12 71.8 85.7
32 3 2 2 25.27 50.54 0.277 8.52 24 2.7 0.2
33 4 1 2 26.462 52.924 0.289 7.67 24 31.3 29.3
34 5 0 0 26.866 53.732 0.293 7.41 6 126.5 115.1
35 2 2 4 27.0 54.0 0.295 7.33 12 148.8 315.3
36 3 1 4 27.574 55.149 0.3 6.98 24 24.1 15.8
37 3 2 3 27.695 55.39 0.302 6.92 24 30.1 24.3
38 3 3 0 28.011 56.021 0.305 6.74 6 76.5 38.3
39 2 1 5 28.389 56.778 0.309 6.54 24 24.2 14.9
40 4 2 0 28.571 57.143 0.31 6.44 12 61.6 47.4
41 5 0 2 28.743 57.485 0.312 6.36 12 3.7 0.2
42 4 1 3 28.817 57.634 0.313 6.32 24 69.0 116.8
43 4 2 1 29.03 58.06 0.315 6.22 24 0.2 0.0
44 4 0 4 29.252 58.504 0.317 6.11 12 38.5 17.6
45 0 0 6 29.547 59.094 0.32 5.97 2 126.1 30.7
46 3 3 2 29.839 59.679 0.323 5.84 12 58.9 39.4
47 1 0 6 30.089 60.179 0.325 5.74 12 25.1 7.0
48 5 1 0 30.213 60.427 0.327 5.68 12 20.8 4.8
49 4 2 2 30.379 60.757 0.328 5.61 24 6.9 1.1
50 5 1 1 30.656 61.313 0.331 5.5 24 19.6 8.2
51 3 2 4 30.872 61.743 0.333 5.42 24 69.0 100.1
52 1 1 6 31.157 62.314 0.336 5.31 12 66.3 45.3
53 3 1 5 31.633 63.266 0.34 5.13 24 30.3 18.3
54 2 0 6 31.683 63.367 0.341 5.12 12 66.8 44.3
55 4 1 4 31.924 63.848 0.343 5.03 24 28.9 16.4
56 5 1 2 31.964 63.928 0.344 5.02 24 65.5 83.6
57 4 2 3 32.553 65.105 0.349 4.82 24 30.8 17.7
58 6 0 0 32.84 65.679 0.352 4.73 6 73.2 24.6
59 2 1 6 33.234 66.468 0.356 4.61 24 55.6 55.5
60 4 3 0 33.351 66.702 0.357 4.58 12 21.7 4.2
61 4 3 1 33.771 67.542 0.361 4.46 24 2.1 0.1
62 5 0 4 33.976 67.951 0.363 4.41 12 35.1 10.6
63 5 1 3 34.082 68.164 0.364 4.38 24 0.7 0.0
64 3 0 6 34.247 68.494 0.365 4.33 12 1.2 0.0
65 5 2 0 34.363 68.726 0.366 4.3 12 72.9 44.4
66 6 0 2 34.517 69.034 0.368 4.26 12 139.3 160.8
67 3 2 5 34.7 69.401 0.37 4.22 24 21.4 7.5
68 5 2 1 34.777 69.554 0.37 4.2 24 68.1 75.6
69 3 3 4 34.979 69.957 0.372 4.15 12 10.6 0.9
70 4 3 2 35.017 70.034 0.372 4.14 24 3.0 0.1
71 4 2 4 35.475 70.951 0.377 4.03 24 74.2 86.2
72 4 1 5 35.694 71.388 0.379 3.99 24 50.2 39.0
73 2 2 6 35.742 71.483 0.379 3.97 12 69.1 36.8
74 5 2 2 36.007 72.013 0.382 3.92 24 57.4 50.2
75 3 1 6 36.234 72.468 0.384 3.87 24 51.4 39.8
76 6 1 0 36.347 72.693 0.385 3.85 12 37.0 10.2
77 6 1 1 36.751 73.502 0.388 3.77 24 1.5 0.0
78 5 1 4 36.948 73.897 0.39 3.73 24 18.5 4.9
79 4 3 3 37.051 74.102 0.391 3.71 24 74.8 80.5
80 4 0 6 37.695 75.39 0.397 3.6 12 61.0 26.0
81 6 1 2 37.955 75.91 0.399 3.55 24 19.5 5.3
82 5 2 3 38.02 76.04 0.4 3.54 24 45.8 28.9
83 2 1 7 38.539 77.077 0.404 3.46 24 75.2 75.9
84 4 4 0 38.769 77.538 0.406 3.42 6 9.5 0.3
85 4 2 5 39.091 78.183 0.409 3.38 24 16.6 3.6
86 3 2 6 39.137 78.275 0.41 3.37 24 4.4 0.2
87 5 3 0 39.247 78.495 0.411 3.35 12 34.4 7.7
88 7 0 0 39.247 78.495 0.411 3.35 6 68.8 15.4
89 6 0 4 39.358 78.715 0.412 3.34 12 26.3 4.5
90 5 3 1 39.642 79.284 0.414 3.3 24 8.7 1.0
91 4 3 4 39.834 79.668 0.416 3.28 24 64.8 53.4
92 6 1 3 39.935 79.869 0.417 3.26 24 32.6 13.5
93 4 1 6 40.09 80.181 0.418 3.24 24 5.7 0.4
94 4 4 2 40.346 80.691 0.42 3.21 12 100.9 63.5
95 5 1 5 40.519 81.038 0.422 3.19 24 8.7 0.9
96 6 2 0 40.674 81.347 0.423 3.17 12 47.2 13.8
97 5 2 4 40.783 81.566 0.424 3.16 24 79.3 77.2
98 5 3 2 40.819 81.639 0.424 3.16 24 25.2 7.8
99 7 0 2 40.819 81.639 0.424 3.16 12 2.3 0.0
100 6 2 1 41.065 82.129 0.426 3.13 24 22.4 6.1
101 0 0 8 41.111 82.221 0.427 3.13 2 225.3 51.4
102 3 1 7 41.392 82.784 0.429 3.1 24 8.5 0.9
103 1 0 8 41.583 83.165 0.431 3.08 12 28.8 5.0
104 5 0 6 41.981 83.962 0.434 3.04 12 30.1 5.4
105 6 2 2 42.234 84.468 0.436 3.02 24 37.4 16.4
106 1 1 8 42.524 85.047 0.439 2.99 12 33.9 6.7
107 6 1 4 42.668 85.336 0.44 2.98 24 32.0 11.9
108 5 3 3 42.767 85.534 0.441 2.97 24 5.5 0.3
109 3 3 6 42.921 85.841 0.442 2.96 12 67.8 26.4
110 2 0 8 42.993 85.986 0.443 2.95 12 0.8 0.0
111 7 1 0 43.029 86.057 0.443 2.95 12 17.4 1.7
112 4 3 5 43.345 86.689 0.446 2.93 24 35.9 14.7
113 4 2 6 43.39 86.779 0.446 2.93 24 0.2 0.0
114 7 1 1 43.416 86.833 0.446 2.92 24 38.7 17.0
115 6 2 3 44.173 88.347 0.452 2.87 24 22.3 5.5
116 3 2 7 44.21 88.419 0.453 2.87 24 12.4 1.7
117 5 2 5 44.281 88.563 0.453 2.87 24 49.5 27.3
118 2 1 8 44.399 88.798 0.454 2.86 24 2.1 0.0
119 7 1 2 44.578 89.157 0.456 2.85 24 5.6 0.4
120 5 1 6 44.795 89.589 0.457 2.84 24 41.9 19.3
121 5 4 0 44.902 89.805 0.458 2.83 12 15.3 1.3
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 5.186 10.371 8.52256 1523.6 100.0 100.0 5.6
2 1 1 0 9.006 18.013 4.9205 376.9 24.7 24.6 5.6
3 0 0 2 9.461 18.922 4.686 140.7 9.2 9.2 5.6
4 1 0 2 10.812 21.624 4.10623 600.0 39.4 39.1 5.6
5 1 1 2 13.12 26.24 3.39338 635.9 41.7 41.3 5.6
6 2 0 2 14.142 28.284 3.15266 774.9 50.9 50.2 5.6
7 2 1 1 14.647 29.293 3.04631 1005.9 66.0 65.2 5.6
8 2 1 2 16.868 33.737 2.65453 248.9 16.3 16.1 5.7
9 2 2 0 18.246 36.491 2.46025 77.0 5.1 5.0 5.7
10 3 0 2 18.486 36.973 2.42929 27.3 1.8 1.8 5.7
11 0 0 4 19.193 38.387 2.343 120.6 7.9 7.8 5.7
12 3 1 1 19.638 39.276 2.29196 21.2 1.4 1.4 5.7
13 2 1 3 20.089 40.178 2.24259 43.5 2.9 2.8 5.7
14 2 2 2 20.709 41.418 2.17828 49.7 3.3 3.2 5.7
15 1 1 4 21.354 42.708 2.11542 53.0 3.5 3.4 5.7
16 3 1 2 21.407 42.813 2.11044 147.7 9.7 9.4 5.7
17 2 0 4 22.035 44.07 2.05312 26.8 1.8 1.7 5.7
18 3 2 0 23.201 46.403 1.95521 62.4 4.1 4.0 5.7
19 4 0 2 23.4 46.799 1.93956 44.2 2.9 2.8 5.7
20 3 2 1 23.731 47.462 1.914 18.3 1.2 1.2 5.7
21 2 1 4 23.987 47.974 1.89479 28.7 1.9 1.8 5.7
22 3 1 3 24.12 48.239 1.88496 158.3 10.4 10.1 5.7
23 4 1 0 24.468 48.935 1.85977 64.7 4.2 4.1 5.7
24 4 1 1 24.977 49.954 1.8242 70.2 4.6 4.5 5.7
25 3 0 4 25.223 50.447 1.80755 85.7 5.6 5.4 5.8
26 4 1 2 26.462 52.924 1.72861 29.3 1.9 1.8 5.8
27 5 0 0 26.866 53.732 1.70451 115.1 7.6 7.3 5.8
28 2 2 4 27.0 54.0 1.69669 315.3 20.7 19.9 5.8
29 3 1 4 27.574 55.149 1.66403 15.8 1.0 1.0 5.8
30 3 2 3 27.695 55.39 1.65737 24.3 1.6 1.5 5.8
31 3 3 0 28.011 56.021 1.64017 38.3 2.5 2.4 5.8
32 4 2 0 28.571 57.143 1.61061 47.4 3.1 3.0 5.8
33 4 1 3 28.817 57.634 1.59803 116.8 7.7 7.3 5.8
34 4 0 4 29.252 58.504 1.57633 17.6 1.2 1.1 5.8
35 0 0 6 29.547 59.094 1.562 30.7 2.0 1.9 5.8
36 3 3 2 29.839 59.679 1.54808 39.4 2.6 2.5 5.8
37 3 2 4 30.872 61.743 1.50118 100.1 6.6 6.3 5.8
38 1 1 6 31.157 62.314 1.48879 45.3 3.0 2.8 5.8
39 3 1 5 31.633 63.266 1.46867 18.3 1.2 1.1 5.9
40 2 0 6 31.683 63.367 1.46658 44.3 2.9 2.8 5.9
41 4 1 4 31.924 63.848 1.45666 16.4 1.1 1.0 5.9
42 5 1 2 31.964 63.928 1.45504 83.6 5.5 5.2 5.9
43 4 2 3 32.553 65.105 1.43155 17.7 1.2 1.1 5.9
44 6 0 0 32.84 65.679 1.42043 24.6 1.6 1.5 5.9
45 2 1 6 33.234 66.468 1.40548 55.5 3.6 3.4 5.9
46 5 2 0 34.363 68.726 1.3647 44.4 2.9 2.7 5.9
47 6 0 2 34.517 69.034 1.35935 160.8 10.6 9.9 5.9
48 5 2 1 34.777 69.554 1.35046 75.6 5.0 4.7 5.9
49 4 2 4 35.475 70.951 1.32726 86.2 5.7 5.3 5.9
50 4 1 5 35.694 71.388 1.3202 39.0 2.6 2.4 5.9
51 2 2 6 35.742 71.483 1.31868 36.8 2.4 2.3 5.9
52 5 2 2 36.007 72.013 1.31027 50.2 3.3 3.1 5.9
53 3 1 6 36.234 72.468 1.30317 39.8 2.6 2.4 5.9
54 4 3 3 37.051 74.102 1.27841 80.5 5.3 4.9 6.0
55 4 0 6 37.695 75.39 1.25974 26.0 1.7 1.6 6.0
56 5 2 3 38.02 76.04 1.25058 28.9 1.9 1.8 6.0
57 2 1 7 38.539 77.077 1.23632 75.9 5.0 4.6 6.0
58 7 0 0 39.247 78.495 1.21751 23.1 1.5 1.4 6.0
59 4 3 4 39.834 79.668 1.2025 53.4 3.5 3.2 6.0
60 4 4 2 40.346 80.691 1.18981 63.5 4.2 3.8 6.1
61 5 2 4 40.783 81.566 1.17925 77.2 5.1 4.6 6.1
62 0 0 8 41.111 82.221 1.1715 51.4 3.4 3.1 6.1
63 6 2 2 42.234 84.468 1.14598 16.4 1.1 1.0 6.1
64 3 3 6 42.921 85.841 1.13113 26.4 1.7 1.6 6.1
65 7 1 1 43.416 86.833 1.12074 17.0 1.1 1.0 6.1
66 5 2 5 44.281 88.563 1.10326 27.3 1.8 1.6 6.2
67 5 1 6 44.795 89.589 1.09327 19.3 1.3 1.1 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)
|