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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KALSILITE
3, syn, f-feldspathoid, sf-nepheline, DF
KAlSiO(4)
Hexagonal P 6(3) Z = 2
R =0.084 NR =373
13 .2 .1996
Ref.Str.:
Andou Y., Kawabara A. (1984)
* Mineral. J. (Japan), 12, 153-161
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.151 alpha = 90.0
b = 5.151 beta = 90.0
c = 8.69 gamma = 120.0
Unit cell volume (cub. angs.) = 199.68
Molar volume ( cub.cm/mol.) = 60.14
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 1.25 K = 1.00
2 0.3333 0.6667 0.054 0.74 Al = 1.00
3 0.3333 0.6667 0.436 0.45 Si = 1.00
4 0.61 0.005 0.993 1.4 O = 1.00
5 0.35 0.713 0.252 1.0 O = 0.33, O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.3333 0.6667 0.054
3 3 0.3333 0.6667 0.436
4 4 0.61 0.005 0.993
5 5 0.35 0.713 0.252
6 4 0.995 0.605 0.993
7 4 0.395 0.39 0.993
8 5 0.287 0.637 0.252
9 5 0.363 0.65 0.252
10 1 0.0 0.0 0.75
11 2 0.6667 0.3333 0.554
12 3 0.6667 0.3333 0.936
13 4 0.39 0.995 0.493
14 5 0.65 0.287 0.752
15 4 0.005 0.395 0.493
16 4 0.605 0.61 0.493
17 5 0.713 0.363 0.752
18 5 0.637 0.35 0.752
X-ray density (g/cm cub.) = 2.63
MU (1/cm) = 155.267 Mass attenuation coefficient (cm**2/g) = 59.104
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.228 15
3.0126 4
3.1808 5
2.8463 5
2.9062 5
3.0126 4
3.0126 4
2.8462 5
2.9063 5
3.1808 5
2.9062 5
3.1809 5
2.8462 5
2.9236 4
2.9236 4
2.9236 4
2 Al 2.316 6
1.6927 4
1.7333 5
1.6925 4
1.6931 4
1.7333 5
1.7334 5
3 Si 2.1 6
1.6126 5
1.6126 5
1.6127 5
1.6421 4
1.6423 4
1.6425 4
4 O 3.264 10
2.6659 5
2.7121 4
2.7845 4
2.7121 4
2.7845 4
2.8763 5
2.7752 5
2.4978 5
2.6627 5
2.7049 5
5 O ,O 3.264 8
2.6659 4
2.7752 4
2.8763 4
0.3627 5
0.3627 5
2.4978 4
2.7049 4
2.6626 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 9.943 19.887 0.112 64.16 6 4.7 21.0
2 0 0 2 10.211 20.423 0.115 60.72 2 29.4 263.0
3 1 0 1 11.192 22.384 0.126 50.19 12 25.5 983.1
4 1 0 2 14.328 28.656 0.161 29.83 12 45.6 1869.0
5 1 1 0 17.402 34.805 0.194 19.61 6 61.1 1101.4
6 1 1 1 18.176 36.352 0.202 17.83 12 23.7 300.4
7 1 0 3 18.485 36.971 0.206 17.18 12 20.1 209.0
8 2 0 0 20.203 40.406 0.224 14.11 6 16.8 59.9
9 1 1 2 20.345 40.69 0.226 13.9 12 21.1 185.3
10 0 0 4 20.766 41.533 0.23 13.27 2 66.1 290.8
11 2 0 1 20.888 41.776 0.231 13.1 12 18.8 140.0
12 2 0 2 22.842 45.684 0.252 10.72 12 19.2 119.2
13 1 0 4 23.227 46.454 0.256 10.32 12 12.6 49.2
14 1 1 3 23.591 47.182 0.26 9.96 12 19.1 108.9
15 2 0 3 25.84 51.681 0.283 8.1 12 18.8 86.5
16 1 2 0 27.184 54.368 0.297 7.21 6 1.5 0.3
17 2 1 0 27.184 54.368 0.297 7.21 6 0.4 0.0
18 1 1 4 27.636 55.272 0.301 6.95 12 20.3 85.9
19 1 2 1 27.734 55.469 0.302 6.89 12 18.2 68.6
20 2 1 1 27.734 55.469 0.302 6.89 12 17.3 62.3
21 1 0 5 28.402 56.803 0.309 6.53 12 31.8 198.9
22 1 2 2 29.343 58.687 0.318 6.07 12 27.5 138.5
23 2 1 2 29.343 58.687 0.318 6.07 12 29.1 155.1
24 2 0 4 29.667 59.333 0.321 5.92 12 24.3 105.2
25 3 0 0 31.2 62.399 0.336 5.29 6 65.1 337.1
26 3 0 1 31.705 63.411 0.341 5.11 12 0.4 0.0
27 1 2 3 31.911 63.823 0.343 5.04 12 19.6 58.1
28 2 1 3 31.911 63.823 0.343 5.04 12 19.6 58.1
29 0 0 6 32.13 64.26 0.345 4.96 2 24.4 14.8
30 1 1 5 32.322 64.643 0.347 4.9 12 13.4 26.6
31 3 0 2 33.197 66.394 0.355 4.63 12 10.0 13.9
32 1 0 6 33.998 67.997 0.363 4.4 12 8.8 10.2
33 2 0 5 34.185 68.37 0.365 4.35 12 27.9 101.8
34 1 2 4 35.331 70.662 0.375 4.07 12 13.1 20.9
35 2 1 4 35.331 70.662 0.375 4.07 12 11.7 16.7
36 3 0 3 35.612 71.223 0.378 4.0 12 0.3 0.0
37 2 2 0 36.738 73.476 0.388 3.77 6 44.5 112.6
38 2 2 1 37.207 74.413 0.393 3.68 12 7.6 6.5
39 1 1 6 37.601 75.203 0.396 3.61 12 43.2 202.4
40 1 3 0 38.505 77.01 0.404 3.46 6 5.5 1.6
41 3 1 0 38.505 77.01 0.404 3.46 6 5.3 1.4
42 2 2 2 38.6 77.2 0.405 3.45 12 3.1 1.0
43 3 0 4 38.884 77.767 0.407 3.41 12 30.3 94.2
44 1 3 1 38.966 77.933 0.408 3.39 12 15.9 25.8
45 3 1 1 38.966 77.933 0.408 3.39 12 13.5 18.7
46 2 0 6 39.355 78.711 0.412 3.34 12 2.8 0.8
47 1 2 5 39.532 79.063 0.413 3.32 12 25.9 66.9
48 2 1 5 39.532 79.063 0.413 3.32 12 25.1 63.0
49 1 0 7 40.095 80.19 0.418 3.24 12 7.9 6.0
50 1 3 2 40.341 80.682 0.42 3.21 12 28.0 76.0
51 3 1 2 40.341 80.682 0.42 3.21 12 28.0 75.9
52 2 2 3 40.89 81.779 0.425 3.15 12 6.8 4.3
53 1 3 3 42.609 85.219 0.439 2.99 12 18.6 31.0
54 3 1 3 42.609 85.219 0.439 2.99 12 17.4 27.2
55 3 0 5 42.98 85.96 0.443 2.96 12 0.3 0.0
56 1 1 7 43.535 87.07 0.447 2.92 12 9.1 7.2
57 4 0 0 43.685 87.37 0.448 2.9 6 3.2 0.4
58 2 2 4 44.055 88.11 0.451 2.88 12 17.0 25.0
59 4 0 1 44.136 88.271 0.452 2.88 12 10.2 9.0
60 1 2 6 44.517 89.034 0.455 2.85 12 4.6 1.8
61 2 1 6 44.517 89.034 0.455 2.85 12 5.4 2.5
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 9.943 19.887 4.4609 21.0 1.1 1.1 5.6
2 0 0 2 10.211 20.423 4.345 263.0 14.1 14.2 5.6
3 1 0 1 11.192 22.384 3.96855 983.1 52.6 52.9 5.6
4 1 0 2 14.328 28.656 3.11255 1869.0 100.0 100.0 5.6
5 1 1 0 17.402 34.805 2.5755 1101.4 58.9 58.6 5.7
6 1 1 1 18.176 36.352 2.46933 300.4 16.1 16.0 5.7
7 1 0 3 18.485 36.971 2.42942 209.0 11.2 11.1 5.7
8 2 0 0 20.203 40.406 2.23045 59.9 3.2 3.2 5.7
9 1 1 2 20.345 40.69 2.21553 185.3 9.9 9.8 5.7
10 0 0 4 20.766 41.533 2.1725 290.8 15.6 15.4 5.7
11 2 0 1 20.888 41.776 2.16042 140.0 7.5 7.4 5.7
12 2 0 2 22.842 45.684 1.98428 119.2 6.4 6.3 5.7
13 1 0 4 23.227 46.454 1.95319 49.2 2.6 2.6 5.7
14 1 1 3 23.591 47.182 1.92473 108.9 5.8 5.7 5.7
15 2 0 3 25.84 51.681 1.76725 86.5 4.6 4.5 5.8
16 1 1 4 27.636 55.272 1.66061 85.9 4.6 4.5 5.8
17 1 2 1 27.734 55.469 1.65519 130.9 7.0 6.8 5.8
18 1 0 5 28.402 56.803 1.61943 198.9 10.6 10.3 5.8
19 2 1 2 29.343 58.687 1.57186 293.6 15.7 15.2 5.8
20 2 0 4 29.667 59.333 1.55627 105.2 5.6 5.4 5.8
21 3 0 0 31.2 62.399 1.48697 337.1 18.0 17.4 5.8
22 1 2 3 31.911 63.823 1.45718 116.1 6.2 6.0 5.9
23 1 1 5 32.322 64.643 1.44066 26.6 1.4 1.4 5.9
24 2 0 5 34.185 68.37 1.37094 101.8 5.4 5.2 5.9
25 1 2 4 35.331 70.662 1.33198 37.6 2.0 1.9 5.9
26 2 2 0 36.738 73.476 1.28775 112.6 6.0 5.7 6.0
27 1 1 6 37.601 75.203 1.26241 202.4 10.8 10.2 6.0
28 3 0 4 38.884 77.767 1.22707 94.2 5.0 4.7 6.0
29 1 3 1 38.966 77.933 1.22488 44.5 2.4 2.2 6.0
30 1 2 5 39.532 79.063 1.21017 129.9 6.9 6.5 6.0
31 1 3 2 40.341 80.682 1.18993 152.0 8.1 7.6 6.1
32 1 3 3 42.609 85.219 1.13779 58.2 3.1 2.9 6.1
33 2 2 4 44.055 88.11 1.10776 25.0 1.3 1.2 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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