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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CLARKEITE
1, f-clarkeite
NaUO(2)O(OH)
Hexagonal R 3(-)m Z = 3
R =0.095
22 .6 .1998
Ref.Str.:
Finch R.J., Ewing R.C. (1997)
* Amer. Mineral., 82, 607-619
Reserv:
[Na(0.733)K(0.029)Ca(0.021)Sr(0.009)Y(0.024)Th(0.006)Pb(0.058)](0.880).
[UO(2)}(0.942)O(0.918)(OH)(1.08)][H(2)O](0.009). D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.954 alpha = 90.0
b = 3.954 beta = 90.0
c = 17.66 gamma = 120.0
Unit cell volume (cub. angs.) = 239.11
Molar volume ( cub.cm/mol.) = 48.01
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.29 U = 1.00
2 0.0 0.0 0.5 0.54 Na = 1.00
3 0.0 0.0 0.1069 0.42 O = 1.00
4 0.0 0.0 0.3488 0.42 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.0 0.5
3 3 0.0 0.0 0.1069
4 4 0.0 0.0 0.3488
5 1 0.6667 0.3333 0.3333
6 1 0.3333 0.6667 0.6667
7 2 0.6667 0.3333 0.8333
8 2 0.3333 0.6667 0.1667
9 3 0.6667 0.3333 0.4402
10 3 0.3333 0.6667 0.7736
11 4 0.6667 0.3333 0.6821
12 4 0.3333 0.6667 0.0155
13 3 0.0 0.0 0.8931
14 4 0.0 0.0 0.6512
15 3 0.3333 0.6667 0.5598
16 3 0.6667 0.3333 0.2264
17 4 0.3333 0.6667 0.3179
18 4 0.6667 0.3333 0.9845
X-ray density (g/cm cub.) = 6.77
MU (1/cm) = 1774.788 Mass attenuation coefficient (cm**2/g) = 262.185
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.88 8
1.8879 3
2.2991 4
2.2991 4
2.2991 4
1.8879 3
2.2991 4
2.2991 4
2.2991 4
2 Na 2.808 8
2.6702 4
2.515 3
2.5151 3
2.5151 3
2.6702 4
2.5151 3
2.5151 3
2.515 3
3 O 3.264 9
2.7962 4
2.7963 4
2.7963 4
3.1094 3
3.1094 3
3.1093 3
3.1434 4
3.1434 4
3.1434 4
4 O 3.264 9
2.7961 3
2.7962 3
2.7962 3
3.1434 3
3.1434 3
3.1434 3
2.3473 4
2.3473 4
2.3473 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 0 0 3 7.519 15.038 0.085 113.86 2 239.4 22834.7
2 1 0 1 13.246 26.493 0.149 35.24 6 208.4 16059.0
3 1 0 -2 13.962 27.923 0.157 31.52 6 248.6 20441.0
4 0 0 6 15.171 30.342 0.17 26.4 2 255.4 6021.5
5 1 0 4 16.54 33.079 0.185 21.91 6 183.7 7756.4
6 1 0 -5 18.259 36.518 0.203 17.66 6 153.7 4377.7
7 1 0 7 22.287 44.573 0.246 11.33 6 150.0 2675.7
8 1 1 0 22.931 45.862 0.253 10.62 6 276.6 8527.9
9 0 0 9 23.114 46.227 0.255 10.43 2 220.3 1770.4
10 1 1 3 24.268 48.536 0.267 9.34 12 186.6 6828.0
11 1 0 -8 24.529 49.059 0.269 9.12 6 237.9 5416.3
12 2 0 -1 26.872 53.745 0.293 7.41 6 171.5 2285.2
13 2 0 2 27.276 54.552 0.297 7.16 6 203.7 3117.0
14 1 1 6 27.992 55.985 0.305 6.75 12 208.6 6164.5
15 2 0 -4 28.851 57.703 0.313 6.3 6 162.5 1747.5
16 1 0 10 29.391 58.781 0.319 6.05 6 197.5 2474.8
17 2 0 5 29.998 59.996 0.325 5.77 6 137.6 1148.0
18 0 0 12 31.561 63.122 0.34 5.16 2 197.1 701.2
19 1 0 -11 31.999 63.998 0.344 5.01 6 175.9 1626.2
20 2 0 -7 32.937 65.874 0.353 4.7 6 135.4 904.5
21 1 1 9 33.579 67.158 0.359 4.52 12 184.6 3230.6
22 2 0 8 34.705 69.41 0.37 4.22 6 200.9 1786.3
23 2 1 1 36.638 73.275 0.387 3.79 12 151.3 1820.1
24 2 1 -2 36.978 73.957 0.39 3.72 12 177.1 2450.7
25 1 0 13 37.591 75.181 0.396 3.61 6 115.8 508.2
26 2 1 4 38.331 76.662 0.403 3.49 12 146.8 1578.8
27 2 0 -10 38.801 77.602 0.407 3.42 6 172.9 1073.0
28 2 1 -5 39.335 78.67 0.411 3.34 12 126.5 1122.9
29 1 0 -14 40.599 81.197 0.422 3.18 6 166.2 923.2
30 1 1 12 40.73 81.461 0.424 3.17 12 173.1 1992.4
31 0 0 15 40.863 81.727 0.425 3.15 2 130.1 186.7
32 2 0 11 41.127 82.253 0.427 3.12 6 155.9 796.8
33 2 1 7 41.982 83.965 0.434 3.04 12 124.7 992.6
34 3 0 0 42.442 84.884 0.438 3.0 6 197.0 1221.5
35 3 0 -3 43.426 86.851 0.446 2.92 6 145.2 646.4
36 3 0 3 43.426 86.851 0.446 2.92 6 145.2 646.4
37 2 1 -8 43.623 87.245 0.448 2.91 12 176.8 1909.5
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 3 7.519 15.038 5.88667 22834.7 100.0 100.0 5.6
2 1 0 1 13.246 26.493 3.36165 16059.0 70.3 69.8 5.6
3 1 0 2 13.962 27.923 3.1926 20441.0 89.5 88.7 5.6
4 0 0 6 15.171 30.342 2.94333 6021.5 26.4 26.1 5.6
5 1 0 4 16.54 33.079 2.70581 7756.4 34.0 33.5 5.6
6 1 0 5 18.259 36.518 2.45853 4377.7 19.2 18.9 5.7
7 1 0 7 22.287 44.573 2.03112 2675.7 11.7 11.4 5.7
8 1 1 0 22.931 45.862 1.977 8527.9 37.3 36.4 5.7
9 0 0 9 23.114 46.227 1.96222 1770.4 7.8 7.6 5.7
10 1 1 3 24.268 48.536 1.87413 6828.0 29.9 29.0 5.7
11 1 0 8 24.529 49.059 1.85538 5416.3 23.7 23.0 5.7
12 2 0 1 26.872 53.745 1.70414 2285.2 10.0 9.7 5.8
13 2 0 2 27.276 54.552 1.68083 3117.0 13.7 13.2 5.8
14 1 1 6 27.992 55.985 1.64115 6164.5 27.0 26.0 5.8
15 2 0 4 28.851 57.703 1.5963 1747.5 7.7 7.3 5.8
16 1 0 10 29.391 58.781 1.56956 2474.8 10.8 10.4 5.8
17 2 0 5 29.998 59.996 1.54066 1148.0 5.0 4.8 5.8
18 0 0 12 31.561 63.122 1.47167 701.2 3.1 2.9 5.9
19 1 0 11 31.999 63.998 1.45362 1626.2 7.1 6.8 5.9
20 2 0 7 32.937 65.874 1.4167 904.5 4.0 3.8 5.9
21 1 1 9 33.579 67.158 1.3927 3230.6 14.1 13.4 5.9
22 2 0 8 34.705 69.41 1.3529 1786.3 7.8 7.4 5.9
23 2 1 1 36.638 73.275 1.29079 1820.1 8.0 7.5 6.0
24 2 1 2 36.978 73.957 1.28057 2450.7 10.7 10.0 6.0
25 1 0 13 37.591 75.181 1.26272 508.2 2.2 2.1 6.0
26 2 1 4 38.331 76.662 1.24198 1578.8 6.9 6.4 6.0
27 2 0 10 38.801 77.602 1.22926 1073.0 4.7 4.4 6.0
28 2 1 5 39.335 78.67 1.21523 1122.9 4.9 4.5 6.0
29 1 0 14 40.599 81.197 1.18367 923.2 4.0 3.7 6.1
30 1 1 12 40.73 81.461 1.1805 1992.4 8.7 8.0 6.1
31 2 0 11 41.127 82.253 1.17113 796.8 3.5 3.2 6.1
32 2 1 7 41.982 83.965 1.15156 992.6 4.3 4.0 6.1
33 3 0 0 42.442 84.884 1.14142 1221.5 5.3 4.9 6.1
34 3 0 3 43.426 86.851 1.12055 1292.8 5.7 5.1 6.1
35 2 1 8 43.623 87.245 1.1165 1909.5 8.4 7.6 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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