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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OXIDE_CS
3
Cs(2)O(3)
Cubic I 4(-)3d Z = 8
I4(-)3d
2 .2 .26
Ref.Str.:
Helms A., Klemm W. (1939)
* Z. Anorg. Allgem. Chemie, 242, 201-214
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.86 alpha = 90.0
b = 9.86 beta = 90.0
c = 9.86 gamma = 90.0
Unit cell volume (cub. angs.) = 958.59
Molar volume ( cub.cm/mol.) = 72.17
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.054 0.054 0.054 0.0 Cs = 1.00
2 0.375 0.0 0.25 0.0 O = 1.00
3 0.625 0.0 0.75 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.054 0.054 0.054
2 2 0.375 0.0 0.25
3 3 0.625 0.0 0.75
4 1 0.446 0.946 0.554
5 2 0.125 0.0 0.75
6 3 0.875 0.0 0.25
7 1 0.946 0.554 0.446
8 2 0.625 0.5 0.25
9 3 0.375 0.5 0.75
10 1 0.554 0.446 0.946
11 2 0.875 0.5 0.75
12 3 0.125 0.5 0.25
13 1 0.946 0.446 0.054
14 1 0.554 0.554 0.554
15 1 0.054 0.946 0.446
16 1 0.446 0.054 0.946
17 1 0.304 0.304 0.304
18 2 0.25 0.625 0.5
19 3 0.25 0.875 0.0
20 1 0.196 0.696 0.804
21 2 0.25 0.375 0.0
22 3 0.25 0.125 0.5
23 1 0.804 0.196 0.696
24 2 0.75 0.875 0.5
25 3 0.75 0.625 0.0
26 1 0.696 0.804 0.196
27 2 0.75 0.125 0.0
28 3 0.75 0.375 0.5
29 1 0.696 0.196 0.304
30 1 0.804 0.804 0.804
31 1 0.196 0.304 0.696
32 1 0.304 0.696 0.196
33 2 0.0 0.25 0.375
34 3 0.0 0.75 0.625
35 2 0.0 0.75 0.125
36 3 0.0 0.25 0.875
37 2 0.5 0.25 0.625
38 3 0.5 0.75 0.375
39 2 0.5 0.75 0.875
40 3 0.5 0.25 0.125
X-ray density (g/cm cub.) = 4.35
MU (1/cm) = 1178.671 Mass attenuation coefficient (cm**2/g) = 271.121
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cs 3.612 6
3.1238 2
2.6708 3
2.6708 3
3.1238 2
3.1238 2
2.6708 3
2 O 3.264 4
3.019 3
3.019 3
3.019 3
3.019 3
3 O 3.264 4
3.019 2
3.019 2
3.019 2
3.019 2
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 1 0 6.343 12.686 0.072 160.89 12 0.0 0.0
2 2 0 0 8.989 17.978 0.101 78.99 6 0.0 0.0
3 1 1 2 11.032 22.064 0.124 51.72 24 211.1 6018.0
4 2 2 0 12.766 25.531 0.143 38.1 12 400.8 7991.1
5 3 1 0 14.303 28.605 0.16 29.94 24 356.9 9964.4
6 3 2 1 16.996 33.992 0.19 20.65 48 251.3 6810.1
7 4 0 0 18.209 36.418 0.203 17.76 6 190.1 419.2
8 3 3 0 19.356 38.713 0.215 15.52 12 0.0 0.0
9 4 2 0 20.449 40.898 0.227 13.74 24 83.6 251.0
10 3 3 2 21.495 42.99 0.238 12.29 24 316.7 3219.4
11 2 2 4 22.502 45.004 0.248 11.08 24 273.9 2171.7
12 4 3 1 23.475 46.949 0.259 10.07 48 307.1 4961.1
13 5 1 0 23.475 46.949 0.259 10.07 24 307.1 2480.6
14 5 2 1 25.334 50.667 0.278 8.47 48 252.2 2814.3
15 4 4 0 26.227 52.453 0.287 7.83 12 7.4 0.6
16 5 3 0 27.099 54.197 0.296 7.27 24 123.3 288.6
17 6 0 0 27.952 55.904 0.304 6.77 6 0.0 0.0
18 1 1 6 28.788 57.577 0.313 6.33 24 211.3 739.0
19 5 3 2 28.788 57.577 0.313 6.33 48 164.3 893.4
20 6 2 0 29.609 59.219 0.321 5.95 24 231.6 833.1
21 5 4 1 30.417 60.834 0.329 5.6 48 277.8 2256.9
22 6 3 1 31.995 63.99 0.344 5.01 48 149.6 585.1
23 4 4 4 32.768 65.537 0.351 4.76 8 520.8 1122.9
24 5 4 3 33.532 67.064 0.359 4.53 48 113.2 302.9
25 5 5 0 33.532 67.064 0.359 4.53 12 0.0 0.0
26 7 1 0 33.532 67.064 0.359 4.53 24 113.2 151.5
27 6 4 0 34.287 68.575 0.366 4.32 24 54.0 33.0
28 3 3 6 35.035 70.07 0.373 4.14 24 216.3 505.5
29 5 5 2 35.035 70.07 0.373 4.14 24 85.8 79.5
30 7 2 1 35.035 70.07 0.373 4.14 48 257.1 1428.0
31 6 4 2 35.775 71.551 0.379 3.97 48 291.7 1763.6
32 7 3 0 36.51 73.019 0.386 3.81 24 257.4 660.3
33 6 5 1 37.961 75.923 0.399 3.55 48 253.7 1193.5
34 7 3 2 37.961 75.923 0.399 3.55 48 52.6 51.3
35 8 0 0 38.68 77.361 0.406 3.44 6 395.4 350.8
36 7 4 1 39.395 78.79 0.412 3.33 48 105.6 194.2
37 8 2 0 40.106 80.213 0.418 3.24 24 0.0 0.0
38 6 5 3 40.815 81.629 0.424 3.16 48 178.3 524.3
39 2 2 8 41.52 83.04 0.43 3.08 24 308.1 764.8
40 6 6 0 41.52 83.04 0.43 3.08 12 77.6 24.2
41 7 4 3 42.224 84.448 0.436 3.02 48 241.5 919.6
42 7 5 0 42.224 84.448 0.436 3.02 24 198.1 309.3
43 8 3 1 42.224 84.448 0.436 3.02 48 241.5 919.6
44 7 5 2 43.626 87.253 0.448 2.91 48 167.2 425.0
45 8 4 0 44.326 88.652 0.454 2.86 24 72.0 38.8
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 2 11.032 22.064 4.02533 6018.0 60.4 60.7 5.6
2 2 2 0 12.766 25.531 3.48604 7991.1 80.2 80.4 5.6
3 3 1 0 14.303 28.605 3.11801 9964.4 100.0 100.0 5.6
4 3 2 1 16.996 33.992 2.6352 6810.1 68.3 68.0 5.7
5 4 0 0 18.209 36.418 2.465 419.2 4.2 4.2 5.7
6 4 2 0 20.449 40.898 2.20476 251.0 2.5 2.5 5.7
7 3 3 2 21.495 42.99 2.10216 3219.4 32.3 31.9 5.7
8 2 2 4 22.502 45.004 2.01266 2171.7 21.8 21.5 5.7
9 4 3 1 23.475 46.949 1.93371 7441.7 74.7 73.4 5.7
10 5 2 1 25.334 50.667 1.80018 2814.3 28.2 27.6 5.8
11 5 3 0 27.099 54.197 1.69098 288.6 2.9 2.8 5.8
12 5 3 2 28.788 57.577 1.5995 1632.4 16.4 15.9 5.8
13 6 2 0 29.609 59.219 1.559 833.1 8.4 8.1 5.8
14 5 4 1 30.417 60.834 1.52143 2256.9 22.7 21.9 5.8
15 6 3 1 31.995 63.99 1.45378 585.1 5.9 5.6 5.9
16 4 4 4 32.768 65.537 1.42317 1122.9 11.3 10.8 5.9
17 5 4 3 33.532 67.064 1.39441 454.4 4.6 4.4 5.9
18 7 2 1 35.035 70.07 1.34178 2013.1 20.2 19.2 5.9
19 6 4 2 35.775 71.551 1.3176 1763.6 17.7 16.8 5.9
20 7 3 0 36.51 73.019 1.29468 660.3 6.6 6.3 6.0
21 6 5 1 37.961 75.923 1.25222 1244.9 12.5 11.7 6.0
22 8 0 0 38.68 77.361 1.2325 350.8 3.5 3.3 6.0
23 7 4 1 39.395 78.79 1.21368 194.2 1.9 1.8 6.0
24 6 5 3 40.815 81.629 1.1785 524.3 5.3 4.9 6.1
25 2 2 8 41.52 83.04 1.16201 789.0 7.9 7.3 6.1
26 7 4 3 42.224 84.448 1.1462 2148.6 21.6 19.9 6.1
27 7 5 2 43.626 87.253 1.11643 425.0 4.3 3.9 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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