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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SAPOZHNIKOVITE
1, t-sodalite, f-feldspathoid, s-sodalite, ZL
Na(8)Si(6)Al(6)O(24)(HS,Cl)(2)
Cubic P 4(-)3n Z = 1
R =0.0162 NR =334
9 .7 .24
Ref.Str.:
Chukanov N.V., Zubkova N.V., Pekov I.V., Shendrik R.Yu., Varlamov D.A.,
Vigasina M.F., Yapaskurt V.O., Belakovskiy D.I., Britvin S.N.,
Pushcharovsky D.Yu. (2021) * Mineral. Mag., DOI: 10.1180/mgm.2021.94
L: $Na7.73 Al6.08 Si5.97 O24 (HS)1.25 Cl0.60 (H2O)0.16$
R: Locality - Karnasurt Mountain, Lovozero alkaline massif,
Kola Peninsula, Russia. IMA2021-030. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.9146 alpha = 90.0
b = 8.9146 beta = 90.0
c = 8.9146 gamma = 90.0
Unit cell volume (cub. angs.) = 708.45
Molar volume ( cub.cm/mol.) = 426.73
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1817 0.1817 0.1817 0.0 Na = 0.98, Na = 0.0
2 0.25 0.5 0.0 0.0 Si = 1.00
3 0.25 0.0 0.5 0.0 Al = 1.00
4 0.14 0.1499 0.4409 0.0 O = 1.00
5 0.0 0.0 0.0 0.0 S = 0.61, Cl = 0.3 , H(2)O = 0.08
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1817 0.1817 0.1817
2 2 0.25 0.5 0.0
3 3 0.25 0.0 0.5
4 4 0.14 0.1499 0.4409
5 5 0.0 0.0 0.0
6 1 0.8183 0.8183 0.1817
7 2 0.75 0.5 0.0
8 3 0.75 0.0 0.5
9 4 0.86 0.8501 0.4409
10 1 0.8183 0.1817 0.8183
11 4 0.86 0.1499 0.5591
12 1 0.1817 0.8183 0.8183
13 4 0.14 0.8501 0.5591
14 1 0.6817 0.6817 0.6817
15 2 0.0 0.75 0.5
16 3 0.5 0.75 0.0
17 4 0.6499 0.64 0.9409
18 5 0.5 0.5 0.5
19 1 0.3183 0.3183 0.6817
20 2 0.0 0.25 0.5
21 3 0.5 0.25 0.0
22 4 0.3501 0.36 0.9409
23 1 0.6817 0.3183 0.3183
24 4 0.6499 0.36 0.0591
25 1 0.3183 0.6817 0.3183
26 4 0.3501 0.64 0.0591
27 2 0.5 0.0 0.25
28 3 0.0 0.5 0.25
29 4 0.1499 0.4409 0.14
30 4 0.4409 0.14 0.1499
31 2 0.5 0.0 0.75
32 3 0.0 0.5 0.75
33 4 0.8501 0.4409 0.86
34 4 0.4409 0.86 0.8501
35 4 0.1499 0.5591 0.86
36 4 0.5591 0.86 0.1499
37 4 0.8501 0.5591 0.14
38 4 0.5591 0.14 0.8501
39 4 0.64 0.9409 0.6499
40 4 0.9409 0.6499 0.64
41 4 0.36 0.9409 0.3501
42 4 0.9409 0.3501 0.36
43 4 0.36 0.0591 0.6499
44 4 0.0591 0.6499 0.36
45 4 0.64 0.0591 0.3501
46 4 0.0591 0.3501 0.64
X-ray density (g/cm cub.) = 2.24
MU (1/cm) = 78.91 Mass attenuation coefficient (cm**2/g) = 35.178
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 3.36 7
2.3573 4
2.8052 5
3.0642 4
2.3573 4
2.3573 4
3.0642 4
3.0642 4
2 Si 2.652 4
1.6219 4
1.6219 4
1.6219 4
1.6219 4
3 Al 2.868 4
1.7397 4
1.7397 4
1.7397 4
1.7397 4
4 O 3.816 9
3.6572 4
2.7093 4
2.8737 4
3.7322 4
3.7322 4
2.8243 4
2.6178 4
2.8243 4
2.6178 4
5 S ,Cl ,H(2)O 4.368 12
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 4
4.3348 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 4.957 9.914 0.056 264.9 6 0.0 0.0
2 1 1 0 7.019 14.038 0.079 130.98 12 53.0 881.1
3 2 0 0 9.951 19.903 0.112 64.05 6 38.1 110.9
4 2 1 0 11.14 22.28 0.125 50.68 24 10.0 24.0
5 1 1 2 12.219 24.438 0.137 41.77 24 105.8 2237.6
6 2 2 0 14.146 28.292 0.159 30.65 12 2.7 0.5
7 3 0 0 15.024 30.047 0.168 26.95 6 0.0 0.0
8 3 1 0 15.857 31.714 0.177 24.0 24 43.2 213.8
9 2 2 2 17.417 34.834 0.194 19.58 8 122.2 465.9
10 3 2 0 18.152 36.304 0.202 17.88 24 2.6 0.6
11 3 2 1 18.863 37.726 0.21 16.43 48 54.3 463.8
12 4 0 0 20.22 40.44 0.224 14.09 6 53.3 47.8
13 4 1 0 20.871 41.742 0.231 13.13 24 2.9 0.5
14 1 1 4 21.506 43.011 0.238 12.27 24 90.0 475.6
15 3 3 0 21.506 43.011 0.238 12.27 12 107.5 339.0
16 4 2 0 22.732 45.464 0.251 10.83 24 44.1 100.7
17 4 2 1 23.326 46.652 0.257 10.22 48 2.4 0.6
18 3 3 2 23.909 47.818 0.263 9.66 24 42.5 83.5
19 2 2 4 25.043 50.087 0.275 8.7 24 44.3 81.6
20 4 3 0 25.597 51.193 0.28 8.27 24 2.3 0.2
21 5 0 0 25.597 51.193 0.28 8.27 6 0.0 0.0
22 4 3 1 26.141 52.283 0.286 7.89 48 33.0 82.3
23 5 1 0 26.141 52.283 0.286 7.89 24 12.3 5.7
24 4 3 2 27.73 55.461 0.302 6.9 48 7.9 4.1
25 5 2 0 27.73 55.461 0.302 6.9 24 4.2 0.6
26 5 2 1 28.247 56.493 0.307 6.61 48 34.6 75.7
27 4 4 0 29.261 58.522 0.317 6.11 12 134.9 265.5
28 3 3 4 30.254 60.508 0.327 5.67 24 45.2 55.3
29 5 3 0 30.254 60.508 0.327 5.67 24 57.6 90.0
30 5 3 1 30.743 61.486 0.332 5.47 48 5.8 1.8
31 4 4 2 31.228 62.455 0.337 5.28 24 89.1 200.3
32 6 0 0 31.228 62.455 0.337 5.28 6 113.0 80.6
33 6 1 0 31.708 63.416 0.341 5.11 24 5.4 0.7
34 1 1 6 32.184 64.369 0.346 4.94 24 26.8 16.9
35 5 3 2 32.184 64.369 0.346 4.94 48 78.5 291.1
36 6 2 0 33.126 66.252 0.355 4.65 24 27.4 16.7
37 5 4 0 33.592 67.183 0.359 4.51 24 3.3 0.2
38 6 2 1 33.592 67.183 0.359 4.51 48 4.2 0.8
39 5 4 1 34.054 68.108 0.363 4.38 48 45.8 87.8
40 2 2 6 34.971 69.941 0.372 4.15 24 67.1 89.4
41 5 4 2 35.425 70.849 0.376 4.05 48 5.1 1.0
42 6 3 0 35.425 70.849 0.376 4.05 24 2.3 0.1
43 6 3 1 35.876 71.752 0.38 3.95 48 56.7 121.4
44 4 4 4 36.773 73.545 0.389 3.76 8 124.1 92.3
45 6 3 2 37.218 74.435 0.393 3.68 48 1.3 0.1
46 7 0 0 37.218 74.435 0.393 3.68 6 0.0 0.0
47 5 4 3 37.661 75.322 0.397 3.6 48 9.2 2.9
48 5 5 0 37.661 75.322 0.397 3.6 12 15.6 2.1
49 7 1 0 37.661 75.322 0.397 3.6 24 10.5 1.9
50 6 4 0 38.542 77.084 0.404 3.46 24 38.9 25.0
51 6 4 1 38.98 77.96 0.408 3.39 48 5.9 1.1
52 7 2 0 38.98 77.96 0.408 3.39 24 2.6 0.1
53 3 3 6 39.417 78.833 0.412 3.33 24 78.6 98.5
54 5 5 2 39.417 78.833 0.412 3.33 24 54.5 47.3
55 7 2 1 39.417 78.833 0.412 3.33 48 69.4 153.3
56 6 4 2 40.286 80.572 0.42 3.22 48 23.1 16.4
57 7 3 0 41.151 82.303 0.427 3.12 24 55.0 45.1
58 7 3 1 41.583 83.165 0.431 3.08 48 4.0 0.5
59 6 4 3 42.443 84.886 0.438 3.0 48 5.3 0.8
60 6 5 0 42.443 84.886 0.438 3.0 24 7.8 0.9
61 6 5 1 42.872 85.744 0.442 2.96 48 60.3 103.0
62 7 3 2 42.872 85.744 0.442 2.96 48 31.1 27.4
63 8 0 0 43.729 87.458 0.449 2.9 6 59.3 12.2
64 6 5 2 44.157 88.315 0.452 2.87 48 1.4 0.1
65 7 4 0 44.157 88.315 0.452 2.87 24 0.3 0.0
66 8 1 0 44.157 88.315 0.452 2.87 24 6.1 0.5
67 1 1 8 44.585 89.17 0.456 2.85 24 42.0 24.1
68 5 5 4 44.585 89.17 0.456 2.85 24 19.1 5.0
69 7 4 1 44.585 89.17 0.456 2.85 48 40.1 43.8
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 0 7.019 14.038 6.30359 881.1 39.4 39.7 5.6
2 2 0 0 9.951 19.903 4.45731 110.9 5.0 5.0 5.6
3 2 1 0 11.14 22.28 3.98674 24.0 1.1 1.1 5.6
4 1 1 2 12.219 24.438 3.63938 2237.6 100.0 100.0 5.6
5 3 1 0 15.857 31.714 2.81905 213.8 9.6 9.5 5.6
6 2 2 2 17.417 34.834 2.57343 465.9 20.8 20.6 5.7
7 3 2 1 18.863 37.726 2.38253 463.8 20.7 20.5 5.7
8 4 0 0 20.22 40.44 2.22866 47.8 2.1 2.1 5.7
9 1 1 4 21.506 43.011 2.1012 814.6 36.4 35.8 5.7
10 4 2 0 22.732 45.464 1.99337 100.7 4.5 4.4 5.7
11 3 3 2 23.909 47.818 1.9006 83.5 3.7 3.7 5.7
12 2 2 4 25.043 50.087 1.81969 81.6 3.6 3.6 5.7
13 4 3 1 26.141 52.283 1.7483 88.1 3.9 3.8 5.8
14 5 2 1 28.247 56.493 1.62758 75.7 3.4 3.3 5.8
15 4 4 0 29.261 58.522 1.5759 265.5 11.9 11.5 5.8
16 5 3 0 30.254 60.508 1.52884 145.3 6.5 6.2 5.8
17 4 4 2 31.228 62.455 1.48577 280.9 12.6 12.0 5.8
18 5 3 2 32.184 64.369 1.44614 308.0 13.8 13.2 5.9
19 5 4 1 34.054 68.108 1.37556 87.8 3.9 3.7 5.9
20 2 2 6 34.971 69.941 1.34393 89.4 4.0 3.8 5.9
21 6 3 1 35.876 71.752 1.31439 121.4 5.4 5.1 5.9
22 4 4 4 36.773 73.545 1.28671 92.3 4.1 3.9 6.0
23 6 4 0 38.542 77.084 1.23624 25.0 1.1 1.0 6.0
24 7 2 1 39.417 78.833 1.21313 299.1 13.4 12.4 6.0
25 7 3 0 41.151 82.303 1.17055 45.1 2.0 1.9 6.1
26 6 5 1 42.872 85.744 1.13216 130.4 5.8 5.3 6.1
27 7 4 1 44.585 89.17 1.09731 72.8 3.3 3.0 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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