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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OLGITE
2, f-fillowite
(Ba,Sr)(Na,Sr,La)(2)Na[PO(4)](2)
Hexagonal P 3(-)m1 Z = 1
R =0.273 NR =236
31 .8 .1907
Ref.Str.:
E. Sokolova, F.C. Hawthorne, A.P. Khomaykov (2005)
* Canad. Mineral., 43, 1521-1526
Reserv:
There are U(ij) in the article. The specimen from Lovozero
alkaline massif, Kola Peninsula, Russia. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.5606 alpha = 90.0
b = 5.5606 beta = 90.0
c = 7.045 gamma = 120.0
Unit cell volume (cub. angs.) = 188.65
Molar volume ( cub.cm/mol.) = 113.63
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.5 0.0 Ba = 0.76, Sr = 0.2 , K = 0.04
2 0.3333 0.6667 0.1634 0.0 Na = 0.57, Sr = 0.34, La = 0.19
3 0.0 0.0 0.0 0.0 Na = 0.97, Mn = 0.03
4 0.6667 0.3333 0.2818 0.0 P = 1.00
5 0.3703 0.1852 0.2039 0.0 O = 1.00
6 0.6667 0.3333 0.4969 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.5
2 2 0.3333 0.6667 0.1634
3 3 0.0 0.0 0.0
4 4 0.6667 0.3333 0.2818
5 5 0.3703 0.1852 0.2039
6 6 0.6667 0.3333 0.4969
7 5 0.8148 0.1851 0.2039
8 5 0.8149 0.6297 0.2039
9 2 0.6667 0.3333 0.8366
10 4 0.3333 0.6667 0.7182
11 5 0.6297 0.8148 0.7961
12 6 0.3333 0.6667 0.5031
13 5 0.1852 0.8149 0.7961
14 5 0.1851 0.3703 0.7961
X-ray density (g/cm cub.) = 4.19
MU (1/cm) = 624.387 Mass attenuation coefficient (cm**2/g) = 149.094
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba ,Sr ,K 3.288 12
2.7443 5
3.2106 6
3.2102 6
3.2106 6
2.7443 5
2.7443 5
2.7443 5
3.2106 6
3.2102 6
3.2106 6
2.7443 5
2.7443 5
2 Na ,Sr ,La 3.072 10
2.8006 5
2.8006 5
2.8002 5
2.8008 5
2.8012 5
2.8 5
2.9552 5
2.3932 6
2.955 5
2.9552 5
3 Na ,Mn 2.808 6
2.2898 5
2.2898 5
2.2898 5
2.2898 5
2.2898 5
2.2898 5
4 P 2.232 4
1.5292 5
1.5154 6
1.5288 5
1.5292 5
5 O 3.264 5
2.5096 6
2.472 5
3.0886 5
2.472 5
3.0886 5
6 O 3.264 6
2.5096 5
2.5094 5
2.5096 5
3.2104 6
3.2114 6
3.2104 6
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 0 0 1 6.277 12.554 0.071 164.33 2 15.4 217.9
2 1 0 0 9.204 18.409 0.104 75.24 6 9.7 120.0
3 1 0 -1 11.172 22.344 0.126 50.38 6 35.7 1080.2
4 1 0 1 11.172 22.344 0.126 50.38 6 39.3 1311.6
5 0 0 2 12.631 25.262 0.142 38.96 2 13.4 39.6
6 1 0 -2 15.72 31.439 0.176 24.45 6 101.7 4264.7
7 1 0 2 15.72 31.439 0.176 24.45 6 26.9 297.3
8 1 1 0 16.084 32.168 0.18 23.27 6 121.1 5754.8
9 1 1 1 17.328 34.656 0.193 19.8 12 25.5 433.0
10 2 0 0 18.657 37.315 0.208 16.84 6 7.2 14.5
11 0 0 3 19.148 38.296 0.213 15.9 2 99.7 887.4
12 2 0 -1 19.76 39.52 0.219 14.83 6 79.4 1576.7
13 2 0 1 19.76 39.52 0.219 14.83 6 2.5 1.6
14 1 1 2 20.668 41.336 0.229 13.42 12 25.1 284.6
15 1 0 -3 21.404 42.807 0.237 12.41 6 14.6 44.8
16 1 0 3 21.404 42.807 0.237 12.41 6 31.8 210.9
17 2 0 -2 22.799 45.599 0.252 10.76 6 17.4 55.1
18 2 0 2 22.799 45.599 0.252 10.76 6 122.6 2728.8
19 2 1 0 25.037 50.074 0.275 8.7 12 19.6 112.5
20 1 1 3 25.427 50.854 0.279 8.4 12 60.9 1048.9
21 2 1 -1 25.919 51.837 0.284 8.04 12 17.1 79.6
22 2 1 1 25.919 51.837 0.284 8.04 12 39.9 432.2
23 0 0 4 25.935 51.87 0.284 8.03 2 51.0 117.5
24 2 0 -3 27.27 54.54 0.297 7.16 6 0.1 0.0
25 2 0 3 27.27 54.54 0.297 7.16 6 2.6 0.8
26 1 0 -4 27.754 55.509 0.302 6.88 6 12.2 17.1
27 1 0 4 27.754 55.509 0.302 6.88 6 72.6 611.2
28 2 1 -2 28.448 56.896 0.309 6.51 12 80.0 1404.0
29 2 1 2 28.448 56.896 0.309 6.51 12 11.0 26.5
30 3 0 0 28.676 57.353 0.311 6.39 6 96.0 992.7
31 3 0 -1 29.483 58.966 0.319 6.0 6 10.0 10.1
32 3 0 1 29.483 58.966 0.319 6.0 6 29.7 89.5
33 1 1 4 31.179 62.358 0.336 5.3 12 34.3 209.8
34 3 0 -2 31.826 63.652 0.342 5.07 6 25.1 54.0
35 3 0 2 31.826 63.652 0.342 5.07 6 14.7 18.4
36 2 1 -3 32.373 64.747 0.348 4.88 12 0.6 0.1
37 2 1 3 32.373 64.747 0.348 4.88 12 30.0 147.8
38 2 0 -4 32.811 65.621 0.352 4.74 6 86.7 601.7
39 2 0 4 32.811 65.621 0.352 4.74 6 16.6 22.0
40 0 0 5 33.14 66.28 0.355 4.64 2 10.2 2.7
41 2 2 0 33.649 67.297 0.36 4.5 6 114.4 992.1
42 2 2 1 34.387 68.774 0.367 4.3 12 11.3 18.5
43 1 0 -5 34.723 69.445 0.37 4.21 6 58.1 239.5
44 1 0 5 34.723 69.445 0.37 4.21 6 16.2 18.7
45 3 1 0 35.22 70.441 0.374 4.09 12 7.2 7.2
46 3 0 -3 35.539 71.078 0.377 4.02 6 56.8 218.7
47 3 0 3 35.539 71.078 0.377 4.02 6 45.6 141.1
48 3 1 -1 35.944 71.888 0.381 3.93 12 36.5 176.4
49 3 1 1 35.944 71.888 0.381 3.93 12 20.7 57.0
50 2 2 2 36.562 73.123 0.387 3.8 12 1.8 0.4
51 2 1 -4 37.487 74.974 0.395 3.63 12 8.2 8.3
52 2 1 4 37.487 74.974 0.395 3.63 12 71.4 624.8
53 1 1 5 37.798 75.596 0.398 3.58 12 34.7 145.1
54 3 1 -2 38.082 76.164 0.4 3.53 12 18.7 41.4
55 3 1 2 38.082 76.164 0.4 3.53 12 77.0 706.4
56 2 0 -5 39.302 78.604 0.411 3.35 6 3.1 0.5
57 2 0 5 39.302 78.604 0.411 3.35 6 61.6 213.9
58 4 0 0 39.778 79.556 0.415 3.28 6 0.9 0.0
59 2 2 3 40.084 80.168 0.418 3.24 12 64.7 457.2
60 4 0 -1 40.473 80.946 0.421 3.2 6 6.3 2.1
61 4 0 1 40.473 80.946 0.421 3.2 6 52.1 146.1
62 3 0 -4 40.486 80.972 0.421 3.2 6 22.5 27.3
63 3 0 4 40.486 80.972 0.421 3.2 6 36.5 71.7
64 0 0 6 40.997 81.994 0.426 3.14 2 69.4 85.0
65 3 1 -3 41.566 83.131 0.431 3.08 12 22.8 53.8
66 3 1 3 41.566 83.131 0.431 3.08 12 6.8 4.8
67 1 0 -6 42.473 84.946 0.438 3.0 6 21.0 22.2
68 1 0 6 42.473 84.946 0.438 3.0 6 14.5 10.6
69 4 0 -2 42.544 85.088 0.439 2.99 6 86.3 375.9
70 4 0 2 42.544 85.088 0.439 2.99 6 14.0 9.9
71 2 1 -5 43.737 87.474 0.449 2.9 12 46.2 208.4
72 2 1 5 43.737 87.474 0.449 2.9 12 19.0 35.4
73 3 2 0 44.205 88.41 0.453 2.87 12 2.4 0.6
74 3 2 -1 44.89 89.78 0.458 2.83 12 26.1 64.9
75 3 2 1 44.89 89.78 0.458 2.83 12 29.3 82.1
76 2 2 4 44.903 89.805 0.458 2.83 12 35.7 121.5
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 0 0 1 6.277 12.554 7.045 217.9 3.8 3.8 5.6
2 1 0 0 9.204 18.409 4.81562 120.0 2.1 2.1 5.6
3 1 0 1 11.172 22.344 3.97559 2391.9 41.6 41.9 5.6
4 1 0 2 15.72 31.439 2.84308 4562.1 79.3 79.3 5.6
5 1 1 0 16.084 32.168 2.7803 5754.8 100.0 100.0 5.6
6 1 1 1 17.328 34.656 2.58619 433.0 7.5 7.5 5.7
7 0 0 3 19.148 38.296 2.34833 887.4 15.4 15.3 5.7
8 2 0 1 19.76 39.52 2.27841 1578.3 27.4 27.2 5.7
9 1 1 2 20.668 41.336 2.1824 284.6 4.9 4.9 5.7
10 1 0 3 21.404 42.807 2.11074 255.6 4.4 4.4 5.7
11 2 0 2 22.799 45.599 1.98779 2783.9 48.4 47.7 5.7
12 2 1 0 25.037 50.074 1.82013 112.5 2.0 1.9 5.7
13 1 1 3 25.427 50.854 1.79403 1048.9 18.2 17.9 5.8
14 0 0 4 25.935 51.87 1.76125 629.4 10.9 10.7 5.8
15 1 0 4 27.754 55.509 1.65409 628.3 10.9 10.6 5.8
16 2 1 2 28.448 56.896 1.61702 1430.5 24.9 24.2 5.8
17 3 0 0 28.676 57.353 1.60521 992.7 17.2 16.8 5.8
18 3 0 1 29.483 58.966 1.56509 99.5 1.7 1.7 5.8
19 1 1 4 31.179 62.358 1.48784 209.8 3.6 3.5 5.8
20 3 0 2 31.826 63.652 1.46069 72.4 1.3 1.2 5.9
21 2 1 3 32.373 64.747 1.43861 147.8 2.6 2.5 5.9
22 2 0 4 32.811 65.621 1.42154 623.6 10.8 10.4 5.9
23 2 2 0 33.649 67.297 1.39015 992.1 17.2 16.5 5.9
24 1 0 5 34.723 69.445 1.3523 258.2 4.5 4.3 5.9
25 3 0 3 35.539 71.078 1.3252 359.8 6.3 5.9 5.9
26 3 1 1 35.944 71.888 1.31224 233.4 4.1 3.9 5.9
27 2 1 4 37.487 74.974 1.2657 633.1 11.0 10.4 6.0
28 1 1 5 37.798 75.596 1.25682 145.1 2.5 2.4 6.0
29 3 1 2 38.082 76.164 1.24885 747.8 13.0 12.2 6.0
30 2 0 5 39.302 78.604 1.21609 213.9 3.7 3.5 6.0
31 2 2 3 40.084 80.168 1.19626 457.2 7.9 7.4 6.0
32 3 0 4 40.486 80.972 1.18639 247.3 4.3 4.0 6.1
33 0 0 6 40.997 81.994 1.17417 85.0 1.5 1.4 6.1
34 3 1 3 41.566 83.131 1.16097 58.5 1.0 0.9 6.1
35 4 0 2 42.544 85.088 1.13921 385.8 6.7 6.2 6.1
36 2 1 5 43.737 87.474 1.11417 243.8 4.2 3.9 6.2
37 2 2 4 44.903 89.805 1.0912 268.6 4.7 4.3 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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