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 ***
***********************
NOSEAN
1, f-feldspathoid, s-lazurite, DF
Na(4)Al(3)Si(3)O(12).0.5SO(4)
Cubic P 4(-)3m Z = 2
P4(-)3m
12 .8 .1991
Ref.Str.:
Wyckoff R.W.G. (1965)
* Crystal Structures, 4, 432
Reserv:
Positions were not found for the sulfate oxygens
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.06 alpha = 90.0
b = 9.06 beta = 90.0
c = 9.06 gamma = 90.0
Unit cell volume (cub. angs.) = 743.68
Molar volume ( cub.cm/mol.) = 223.97
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.814 0.814 0.814 0.0 Na = 0.5 , Na = 0.0
2 0.191 0.191 0.191 0.0 Na = 0.5 , Na = 0.0
3 0.72 0.72 0.72 0.0 Na = 0.5 , Na = 0.0
4 0.272 0.272 0.272 0.0 Na = 0.5 , Na = 0.0
5 0.158 0.158 0.46 0.0 O = 1.00
6 0.633 0.633 0.971 0.0 O = 1.00
7 0.248 0.0 0.5 0.0 Al = 0.5 , Si = 0.5
8 0.0 0.0 0.0 0.0 S = 1.00
9 0.5 0.5 0.5 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.814 0.814 0.814
2 2 0.191 0.191 0.191
3 3 0.72 0.72 0.72
4 4 0.272 0.272 0.272
5 5 0.158 0.158 0.46
6 6 0.633 0.633 0.971
7 7 0.248 0.0 0.5
8 8 0.0 0.0 0.0
9 9 0.5 0.5 0.5
10 7 0.0 0.248 0.5
11 1 0.814 0.186 0.186
12 1 0.186 0.186 0.814
13 1 0.186 0.814 0.186
14 2 0.191 0.809 0.809
15 2 0.809 0.809 0.191
16 2 0.809 0.191 0.809
17 3 0.72 0.28 0.28
18 3 0.28 0.28 0.72
19 3 0.28 0.72 0.28
20 4 0.272 0.728 0.728
21 4 0.728 0.728 0.272
22 4 0.728 0.272 0.728
23 5 0.158 0.842 0.54
24 5 0.842 0.842 0.46
25 5 0.842 0.158 0.54
26 6 0.633 0.367 0.029
27 6 0.367 0.367 0.971
28 6 0.367 0.633 0.029
29 7 0.0 0.752 0.5
30 7 0.752 0.0 0.5
31 5 0.158 0.46 0.158
32 5 0.46 0.158 0.158
33 6 0.633 0.971 0.633
34 6 0.971 0.633 0.633
35 7 0.0 0.5 0.248
36 7 0.5 0.248 0.0
37 7 0.248 0.5 0.0
38 7 0.5 0.0 0.248
39 5 0.842 0.54 0.158
40 5 0.54 0.158 0.842
41 5 0.842 0.46 0.842
42 5 0.46 0.842 0.842
43 5 0.158 0.54 0.842
44 5 0.54 0.842 0.158
45 6 0.367 0.029 0.633
46 6 0.029 0.633 0.367
47 6 0.367 0.971 0.367
48 6 0.971 0.367 0.367
49 6 0.633 0.029 0.367
50 6 0.029 0.367 0.633
51 7 0.752 0.5 0.0
52 7 0.5 0.0 0.752
53 7 0.0 0.5 0.752
54 7 0.5 0.752 0.0
X-ray density (g/cm cub.) = 2.15
MU (1/cm) = 75.323 Mass attenuation coefficient (cm**2/g) = 35.062
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.808 3
2.7206 6
2.7206 6
2.7206 6
2 Na ,Na 2.808 3
2.4735 5
2.4735 5
2.4735 5
3 Na ,Na 2.808 3
2.5326 6
2.5326 6
2.5326 6
4 Na ,Na 2.808 3
2.2438 5
2.2438 5
2.2438 5
5 O 3.264 6
2.9533 5
2.9533 5
2.7218 6
2.6769 6
2.6769 6
2.7218 6
6 O 3.264 6
2.4666 6
2.4666 6
2.6769 5
2.7218 5
2.7218 5
2.6769 5
7 Al ,Si 2.316 4
1.6868 5
1.6868 5
1.6381 6
1.6381 6
8 S 1.98 0
9 S 1.98 0
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 4.877 9.754 0.055 273.71 6 2.5 1.8
2 1 1 0 6.906 13.811 0.078 135.38 12 62.1 1133.9
3 1 1 1 8.468 16.936 0.096 89.29 8 15.7 31.7
4 2 0 0 9.79 19.58 0.11 66.25 6 33.3 79.6
5 2 1 0 10.959 21.918 0.123 52.44 24 4.1 3.8
6 1 1 2 12.02 24.04 0.135 43.24 24 99.7 1864.4
7 2 2 0 13.914 27.829 0.156 31.75 12 16.0 17.6
8 2 2 1 14.777 29.554 0.166 27.93 24 10.3 13.0
9 3 0 0 14.777 29.554 0.166 27.93 6 23.5 16.7
10 3 1 0 15.596 31.192 0.175 24.87 24 38.5 159.9
11 1 1 3 16.378 32.757 0.183 22.38 24 0.4 0.0
12 2 2 2 17.129 34.257 0.191 20.3 8 136.4 546.4
13 3 2 0 17.851 35.702 0.199 18.55 24 15.1 18.4
14 3 2 1 18.549 37.098 0.206 17.05 48 47.3 331.5
15 4 0 0 19.882 39.763 0.221 14.63 6 117.1 217.8
16 2 2 3 20.521 41.041 0.228 13.63 24 9.6 5.5
17 4 1 0 20.521 41.041 0.228 13.63 24 8.1 3.9
18 1 1 4 21.144 42.287 0.234 12.75 24 47.1 122.9
19 3 3 0 21.144 42.287 0.234 12.75 12 109.4 330.9
20 3 3 1 21.752 43.504 0.241 11.96 24 4.1 0.9
21 4 2 0 22.347 44.695 0.247 11.26 24 4.4 1.0
22 4 2 1 22.93 45.86 0.253 10.62 48 5.2 2.5
23 3 3 2 23.502 47.004 0.259 10.05 24 46.7 95.2
24 2 2 4 24.614 49.229 0.27 9.04 24 23.0 20.7
25 4 3 0 25.157 50.314 0.276 8.61 24 1.8 0.1
26 5 0 0 25.157 50.314 0.276 8.61 6 40.9 15.6
27 4 3 1 25.691 51.382 0.281 8.2 48 41.7 123.7
28 5 1 0 25.691 51.382 0.281 8.2 24 10.2 3.7
29 1 1 5 26.217 52.435 0.287 7.83 24 13.8 6.5
30 3 3 3 26.217 52.435 0.287 7.83 8 26.0 7.6
31 4 3 2 27.248 54.496 0.297 7.18 48 12.6 9.9
32 5 2 0 27.248 54.496 0.297 7.18 24 12.6 5.0
33 5 2 1 27.754 55.508 0.302 6.88 48 49.0 143.7
34 4 4 0 28.747 57.494 0.312 6.35 12 121.2 202.6
35 2 2 5 29.236 58.471 0.317 6.12 24 8.9 2.1
36 4 4 1 29.236 58.471 0.317 6.12 24 19.6 10.2
37 3 3 4 29.719 59.438 0.322 5.9 24 30.8 24.3
38 5 3 0 29.719 59.438 0.322 5.9 24 27.4 19.2
39 5 3 1 30.198 60.395 0.326 5.69 48 11.4 6.4
40 4 4 2 30.672 61.344 0.331 5.5 24 62.5 93.1
41 6 0 0 30.672 61.344 0.331 5.5 6 98.3 57.6
42 6 1 0 31.142 62.283 0.336 5.31 24 0.7 0.0
43 1 1 6 31.608 63.215 0.34 5.14 24 39.3 34.4
44 5 3 2 31.608 63.215 0.34 5.14 48 73.6 241.6
45 6 2 0 32.528 65.056 0.349 4.83 24 3.6 0.3
46 4 4 3 32.983 65.966 0.353 4.69 24 8.9 1.6
47 5 4 0 32.983 65.966 0.353 4.69 24 19.2 7.5
48 6 2 1 32.983 65.966 0.353 4.69 48 3.7 0.6
49 5 4 1 33.435 66.87 0.358 4.56 48 12.8 6.5
50 3 3 5 33.884 67.768 0.362 4.43 24 31.4 18.9
51 2 2 6 34.33 68.66 0.366 4.31 24 87.5 143.1
52 5 4 2 34.773 69.547 0.37 4.2 48 10.0 3.6
53 6 3 0 34.773 69.547 0.37 4.2 24 33.1 19.9
54 6 3 1 35.214 70.428 0.374 4.09 48 49.6 87.5
55 4 4 4 36.089 72.177 0.382 3.9 8 155.7 136.8
56 6 3 2 36.523 73.045 0.386 3.81 48 12.1 4.8
57 7 0 0 36.523 73.045 0.386 3.81 6 11.4 0.5
58 5 4 3 36.955 73.909 0.39 3.73 48 31.4 32.0
59 5 5 0 36.955 73.909 0.39 3.73 12 29.4 7.0
60 7 1 0 36.955 73.909 0.39 3.73 24 28.6 13.2
61 1 1 7 37.385 74.769 0.394 3.65 24 8.3 1.1
62 5 5 1 37.385 74.769 0.394 3.65 24 4.4 0.3
63 6 4 0 37.813 75.626 0.398 3.58 24 27.3 11.5
64 6 4 1 38.24 76.48 0.402 3.51 48 11.8 4.3
65 7 2 0 38.24 76.48 0.402 3.51 24 20.6 6.5
66 3 3 6 38.665 77.33 0.406 3.44 24 81.4 98.8
67 5 5 2 38.665 77.33 0.406 3.44 24 52.2 40.6
68 7 2 1 38.665 77.33 0.406 3.44 48 68.5 139.9
69 6 4 2 39.511 79.023 0.413 3.32 48 22.2 14.2
70 2 2 7 39.933 79.865 0.417 3.26 24 13.8 2.7
71 4 4 5 39.933 79.865 0.417 3.26 24 14.2 2.8
72 7 3 0 40.353 80.706 0.42 3.21 24 27.2 10.3
73 5 5 3 40.772 81.544 0.424 3.16 24 7.7 0.8
74 7 3 1 40.772 81.544 0.424 3.16 48 7.7 1.6
75 6 4 3 41.608 83.215 0.431 3.08 48 10.8 3.1
76 6 5 0 41.608 83.215 0.431 3.08 24 28.9 11.1
77 6 5 1 42.024 84.049 0.435 3.04 48 42.1 46.8
78 7 3 2 42.024 84.049 0.435 3.04 48 20.4 11.0
79 8 0 0 42.856 85.712 0.442 2.97 6 97.0 30.3
80 6 5 2 43.271 86.542 0.445 2.93 48 13.1 4.4
81 7 4 0 43.271 86.542 0.445 2.93 24 8.1 0.8
82 8 1 0 43.271 86.542 0.445 2.93 24 7.8 0.8
83 1 1 8 43.686 87.372 0.448 2.9 24 28.7 10.4
84 5 5 4 43.686 87.372 0.448 2.9 24 7.9 0.8
85 7 4 1 43.686 87.372 0.448 2.9 48 15.6 6.2
86 3 3 7 44.1 88.201 0.452 2.88 24 4.5 0.3
87 4 4 6 44.515 89.029 0.455 2.85 24 29.9 11.0
88 8 2 0 44.515 89.029 0.455 2.85 24 60.5 45.4
89 7 4 2 44.929 89.858 0.458 2.83 48 14.6 5.3
90 8 2 1 44.929 89.858 0.458 2.83 48 1.6 0.1
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 1 0 6.906 13.811 6.40639 1133.9 60.8 61.2 5.6
2 1 1 1 8.468 16.936 5.23079 31.7 1.7 1.7 5.6
3 2 0 0 9.79 19.58 4.53 79.6 4.3 4.3 5.6
4 1 1 2 12.02 24.04 3.69873 1864.4 100.0 100.0 5.6
5 3 0 0 14.777 29.554 3.02 29.6 1.6 1.6 5.6
6 3 1 0 15.596 31.192 2.86502 159.9 8.6 8.5 5.6
7 2 2 2 17.129 34.257 2.6154 546.4 29.3 29.1 5.7
8 3 2 1 18.549 37.098 2.42139 331.5 17.8 17.6 5.7
9 4 0 0 19.882 39.763 2.265 217.8 11.7 11.5 5.7
10 3 3 0 21.144 42.287 2.13546 453.7 24.3 23.9 5.7
11 3 3 2 23.502 47.004 1.9316 95.2 5.1 5.0 5.7
12 2 2 4 24.614 49.229 1.84936 20.7 1.1 1.1 5.7
13 4 3 1 25.691 51.382 1.77681 127.3 6.8 6.7 5.8
14 5 2 1 27.754 55.508 1.65412 143.7 7.7 7.5 5.8
15 4 4 0 28.747 57.494 1.6016 202.6 10.9 10.5 5.8
16 3 3 4 29.719 59.438 1.55378 43.4 2.3 2.2 5.8
17 4 4 2 30.672 61.344 1.51 150.7 8.1 7.8 5.8
18 5 3 2 31.608 63.215 1.46973 276.0 14.8 14.2 5.9
19 3 3 5 33.884 67.768 1.38164 18.9 1.0 1.0 5.9
20 2 2 6 34.33 68.66 1.36585 143.1 7.7 7.3 5.9
21 6 3 0 34.773 69.547 1.35059 23.5 1.3 1.2 5.9
22 6 3 1 35.214 70.428 1.33582 87.5 4.7 4.4 5.9
23 4 4 4 36.089 72.177 1.3077 136.8 7.3 6.9 5.9
24 5 4 3 36.955 73.909 1.28128 52.2 2.8 2.6 6.0
25 7 2 1 38.665 77.33 1.23291 279.3 15.0 14.0 6.0
26 6 5 1 42.024 84.049 1.15062 57.8 3.1 2.8 6.1
27 8 0 0 42.856 85.712 1.1325 30.3 1.6 1.5 6.1
28 8 2 0 44.515 89.029 1.09869 56.4 3.0 2.7 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)
|