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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PALMIERITE
1, t-palmierite
PbK(2)[SO(4)](2)
Rhombohedral * R3(-)m Z = 1
*R3(-)m
23 .3 .1988
Ref.Str.:
Bachmann H.G., Kleber W. (1953)
* Fortschr. Min., 31-32, 9-11
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.56 alpha = 42.47
b = 7.56 beta = 42.47
c = 7.56 gamma = 42.47
Unit cell volume (cub. angs.) = 178.36
Molar volume ( cub.cm/mol.) = 107.43
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 0.0 K = 0.3 , Pb = 0.7
2 0.204 0.204 0.204 0.0 Pb = 0.6 , K = 0.4
3 0.404 0.404 0.404 0.0 S = 1.00
4 0.335 0.335 0.335 0.0 O = 1.00
5 0.283 0.283 0.748 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 0.0
2 2 0.204 0.204 0.204
3 3 0.404 0.404 0.404
4 4 0.335 0.335 0.335
5 5 0.283 0.283 0.748
6 2 0.796 0.796 0.796
7 3 0.596 0.596 0.596
8 4 0.665 0.665 0.665
9 5 0.717 0.717 0.252
10 5 0.283 0.748 0.283
11 5 0.748 0.283 0.283
12 5 0.717 0.252 0.717
13 5 0.252 0.717 0.717
X-ray density (g/cm cub.) = 5.85
MU (1/cm) = 974.175 Mass attenuation coefficient (cm**2/g) = 166.458
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,Pb 3.228 12
3.162 4
3.162 4
3.162 4
2.7406 5
3.162 4
3.162 4
3.162 4
2.7406 5
2.7406 5
2.7406 5
2.7406 5
2.7406 5
2 Pb ,K 3.228 10
2.6988 4
2.655 5
2.7871 5
2.7871 5
2.655 5
2.655 5
2.7871 5
2.7871 5
2.7871 5
2.7871 5
3 S 1.98 4
1.4215 4
1.6286 5
1.6286 5
1.6286 5
4 O 3.264 6
2.5815 5
3.1625 4
3.1625 4
3.1625 4
2.5815 5
2.5815 5
5 O 3.264 7
2.5815 4
2.5465 5
2.9299 5
2.5465 5
2.9299 5
2.9474 5
2.9474 5
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 1 6.44 12.881 0.073 155.99 2 17.1 285.5
2 1 0 0 9.594 19.188 0.108 69.08 6 47.3 2920.3
3 1 1 0 10.3 20.6 0.116 59.65 6 10.1 113.6
4 2 1 1 12.755 25.51 0.143 38.17 6 55.9 2245.6
5 2 2 2 12.964 25.928 0.146 36.88 2 31.3 227.0
6 1 2 2 14.338 28.677 0.161 29.78 6 159.5 14288.3
7 1 -1 0 16.338 32.677 0.183 22.5 6 166.3 11731.4
8 2 1 0 17.629 35.258 0.197 19.07 12 2.8 5.6
9 3 2 2 17.94 35.881 0.2 18.35 6 14.9 77.0
10 1 -1 1 19.085 38.17 0.212 16.01 6 54.0 881.9
11 2 0 0 19.471 38.942 0.216 15.32 6 52.3 789.8
12 3 3 3 19.664 39.329 0.218 14.99 2 119.3 1341.2
13 2 3 3 19.899 39.799 0.221 14.6 6 20.1 111.5
14 2 2 0 20.953 41.907 0.232 13.01 6 86.3 1828.3
15 3 2 1 21.089 42.177 0.234 12.83 12 59.3 1700.4
16 3 1 1 22.011 44.022 0.243 11.65 6 164.2 5924.7
17 4 3 3 24.057 48.115 0.265 9.53 6 137.7 3405.0
18 1 3 3 24.655 49.31 0.271 9.01 6 44.9 342.0
19 2 -1 0 25.552 51.104 0.28 8.31 12 50.6 802.3
20 2 -1 1 25.86 51.719 0.283 8.08 12 12.6 48.3
21 4 3 2 26.015 52.03 0.285 7.97 12 73.2 1612.8
22 4 2 2 26.204 52.409 0.287 7.84 6 1.4 0.3
23 3 4 4 26.244 52.488 0.287 7.82 6 34.0 170.6
24 4 4 4 26.659 53.318 0.291 7.54 2 12.0 6.8
25 3 1 0 27.064 54.129 0.295 7.29 12 46.9 604.9
26 3 2 0 27.944 55.889 0.304 6.78 12 125.7 4039.4
27 -2 1 1 29.16 58.319 0.316 6.15 6 136.1 2150.3
28 2 4 4 29.689 59.378 0.322 5.91 6 122.8 1681.1
29 -1 2 2 29.999 59.998 0.325 5.77 6 6.2 4.2
30 3 0 0 29.999 59.998 0.325 5.77 6 5.9 3.8
31 4 2 1 30.208 60.416 0.327 5.68 12 17.8 68.1
32 5 4 4 30.83 61.659 0.333 5.43 6 13.2 17.8
33 4 3 1 31.572 63.144 0.34 5.16 12 9.3 17.0
34 5 3 3 31.607 63.214 0.34 5.14 6 3.0 0.9
35 5 4 3 31.977 63.953 0.344 5.01 12 10.7 21.7
36 3 3 0 32.44 64.879 0.348 4.86 6 53.6 263.1
37 4 1 1 32.44 64.879 0.348 4.86 6 44.7 183.4
38 4 5 5 33.235 66.47 0.356 4.61 6 72.2 453.7
39 5 5 5 34.115 68.229 0.364 4.37 2 110.0 332.3
40 2 -2 0 34.237 68.474 0.365 4.34 6 153.5 1926.6
41 5 3 2 34.723 69.445 0.37 4.21 12 125.5 2502.4
42 3 -1 1 35.008 70.016 0.372 4.14 12 10.9 18.5
43 3 5 5 35.776 71.552 0.379 3.97 6 13.3 13.3
44 1 -2 2 35.929 71.859 0.381 3.93 12 39.1 226.5
45 3 -1 0 36.182 72.364 0.383 3.88 12 10.8 17.2
46 1 4 4 36.31 72.62 0.384 3.85 6 65.4 310.5
47 5 2 2 36.31 72.62 0.384 3.85 6 61.4 274.3
48 5 4 2 36.5 72.999 0.386 3.82 12 29.5 125.6
49 3 2 -1 37.185 74.37 0.392 3.69 12 46.7 302.6
50 4 2 0 37.279 74.558 0.393 3.67 12 28.7 114.3
51 4 1 0 37.931 75.862 0.399 3.56 12 117.0 1835.1
52 6 4 4 38.029 76.057 0.4 3.54 6 73.8 363.4
53 6 5 5 38.308 76.617 0.402 3.49 6 16.8 18.7
54 6 5 4 38.862 77.724 0.407 3.41 12 126.1 2046.2
55 4 3 0 39.898 79.796 0.416 3.27 12 13.4 22.1
56 6 4 3 40.45 80.899 0.421 3.2 12 11.0 14.6
57 -3 1 1 40.597 81.194 0.422 3.18 6 41.7 104.4
58 2 -2 2 40.84 81.68 0.424 3.16 6 30.5 55.2
59 5 3 1 40.963 81.927 0.426 3.14 12 80.6 769.1
60 5 6 6 40.999 81.999 0.426 3.14 6 24.1 34.3
61 5 2 1 41.115 82.229 0.427 3.13 12 11.8 16.3
62 2 5 5 41.48 82.96 0.43 3.09 6 15.1 13.2
63 6 3 3 41.48 82.96 0.43 3.09 6 5.3 1.7
64 4 0 0 41.809 83.618 0.433 3.06 6 60.8 213.3
65 6 6 6 42.301 84.601 0.437 3.01 2 21.4 8.7
66 -1 3 3 42.534 85.067 0.439 2.99 6 122.4 844.7
67 6 5 3 42.629 85.257 0.44 2.98 12 60.4 410.1
68 4 6 6 42.901 85.803 0.442 2.96 6 2.8 0.4
69 5 4 1 44.01 88.02 0.451 2.88 12 108.4 1277.7
70 5 1 1 44.459 88.918 0.455 2.86 6 28.9 45.1
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 1 6.44 12.881 6.86707 285.5 2.0 2.0 5.6
2 1 0 0 9.594 19.188 4.62179 2920.3 20.4 20.6 5.6
3 2 1 1 12.755 25.51 3.4888 2245.6 15.7 15.8 5.6
4 2 2 2 12.964 25.928 3.43354 227.0 1.6 1.6 5.6
5 1 2 2 14.338 28.677 3.1104 14288.3 100.0 100.0 5.6
6 1 -1 0 16.338 32.677 2.73819 11731.4 82.1 81.8 5.6
7 1 -1 1 19.085 38.17 2.35578 881.9 6.2 6.1 5.7
8 2 0 0 19.471 38.942 2.31089 789.8 5.5 5.5 5.7
9 3 3 3 19.664 39.329 2.28902 1341.2 9.4 9.3 5.7
10 2 2 0 20.953 41.907 2.15399 1828.3 12.8 12.6 5.7
11 3 2 1 21.089 42.177 2.14079 1700.4 11.9 11.8 5.7
12 3 1 1 22.011 44.022 2.05525 5924.7 41.5 40.9 5.7
13 4 3 3 24.057 48.115 1.88955 3405.0 23.8 23.4 5.7
14 1 3 3 24.655 49.31 1.84652 342.0 2.4 2.3 5.7
15 2 -1 0 25.552 51.104 1.78582 802.3 5.6 5.5 5.8
16 4 3 2 26.015 52.03 1.7562 1612.8 11.3 11.0 5.8
17 3 4 4 26.244 52.488 1.74194 170.6 1.2 1.2 5.8
18 3 1 0 27.064 54.129 1.69295 604.9 4.2 4.1 5.8
19 3 2 0 27.944 55.889 1.64374 4039.4 28.3 27.5 5.8
20 -2 1 1 29.16 58.319 1.58089 2150.3 15.0 14.6 5.8
21 2 4 4 29.689 59.378 1.5552 1681.1 11.8 11.4 5.8
22 3 3 0 32.44 64.879 1.43599 446.4 3.1 3.0 5.9
23 4 5 5 33.235 66.47 1.40542 453.7 3.2 3.0 5.9
24 5 5 5 34.115 68.229 1.37341 332.3 2.3 2.2 5.9
25 2 -2 0 34.237 68.474 1.36909 1926.6 13.5 12.8 5.9
26 5 3 2 34.723 69.445 1.3523 2502.4 17.5 16.7 5.9
27 1 -2 2 35.929 71.859 1.31271 226.5 1.6 1.5 5.9
28 1 4 4 36.31 72.62 1.30081 584.8 4.1 3.9 6.0
29 3 2 -1 37.185 74.37 1.27447 302.6 2.1 2.0 6.0
30 4 1 0 37.931 75.862 1.25307 1835.1 12.8 12.1 6.0
31 6 4 4 38.029 76.057 1.25034 363.4 2.5 2.4 6.0
32 6 5 4 38.862 77.724 1.22764 2046.2 14.3 13.4 6.0
33 5 3 1 40.963 81.927 1.17497 769.1 5.4 5.0 6.1
34 4 0 0 41.809 83.618 1.15545 213.3 1.5 1.4 6.1
35 -1 3 3 42.534 85.067 1.13943 844.7 5.9 5.4 6.1
36 6 5 3 42.629 85.257 1.13737 410.1 2.9 2.6 6.1
37 5 4 1 44.01 88.02 1.10866 1277.7 8.9 8.2 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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