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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LINGBAOITE
1
AgTe(3)
Hexagonal R 3m Z = 3
R3m
30 .9 .25
Ref.Str.:
Jian W., Mao J., Lehmann B., Li Y., Ye H., Cai J., Li Z. (2020)
* Amer. Miner., 105, 5, 745-755
L: $Ag0.946 Fe0.134 Cu0.008 Pb0.003 Te2.841 S0.067$
R: IMA2018-138. Locality - Xiaoqinling gold district, central China.
The coordinates of atoms are from synthetic LINGBAOITE [2].
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.6 alpha = 90.0
b = 8.6 beta = 90.0
c = 5.4 gamma = 120.0
Unit cell volume (cub. angs.) = 345.88
Molar volume ( cub.cm/mol.) = 69.44
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 Ag = 1.00
2 0.1672 0.8328 0.3413 0.0 Te = 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 0.1672 0.8328 0.3413
3 2 0.1672 0.3344 0.3413
4 2 0.6656 0.8328 0.3413
5 1 0.6667 0.3333 0.3333
6 1 0.3333 0.6667 0.6667
7 2 0.8339 0.6677 0.6746
8 2 0.9989 0.4995 0.008
9 2 0.3323 0.1661 0.6746
10 2 0.5005 0.4995 0.008
11 2 0.8339 0.1661 0.6746
12 2 0.5005 0.001 0.008
X-ray density (g/cm cub.) = 7.06
MU (1/cm) = 1892.856 Mass attenuation coefficient (cm**2/g) = 267.93
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag 3.888 6
3.0983 2
3.0983 2
3.0983 2
3.035 2
3.035 2
3.035 2
2 Te 5.064 12
4.3137 2
4.2863 2
4.2863 2
4.3137 2
3.0665 2
4.3731 2
4.373 2
3.0666 2
3.0665 2
4.3731 2
4.373 2
3.0665 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 0 1 10.148 20.296 0.114 61.51 6 14.0 60.7
2 1 1 0 10.319 20.639 0.116 59.42 6 11.0 36.2
3 2 0 -1 14.552 29.105 0.163 28.86 6 513.7 38189.2
4 1 0 -2 17.665 35.331 0.197 18.98 6 14.0 18.7
5 2 1 1 17.974 35.948 0.2 18.28 12 9.8 17.7
6 3 0 0 18.076 36.151 0.201 18.05 6 10.6 10.2
7 2 0 2 20.633 41.267 0.229 13.47 6 465.0 14606.3
8 2 2 0 20.994 41.988 0.233 12.95 6 462.8 13914.6
9 2 1 -2 23.285 46.57 0.257 10.26 12 16.9 29.2
10 3 1 -1 23.531 47.063 0.259 10.02 12 11.8 14.0
11 0 0 3 25.336 50.673 0.278 8.47 2 431.9 2641.5
12 4 0 1 25.951 51.901 0.284 8.02 6 428.7 7391.3
13 1 1 3 27.64 55.28 0.301 6.95 12 18.3 23.2
14 3 1 2 28.003 56.006 0.305 6.74 12 13.3 12.0
15 3 2 1 28.219 56.438 0.307 6.63 12 14.6 14.2
16 4 1 0 28.291 56.582 0.308 6.59 12 10.9 7.8
17 4 0 -2 30.167 60.335 0.326 5.7 6 403.0 4643.8
18 3 0 -3 31.909 63.819 0.343 5.04 6 14.8 5.5
19 3 0 3 31.909 63.819 0.343 5.04 6 20.9 11.0
20 3 2 -2 32.242 64.484 0.346 4.92 12 11.3 6.3
21 5 0 -1 32.441 64.882 0.348 4.86 6 10.6 2.7
22 3 3 0 32.507 65.014 0.349 4.84 6 10.2 2.5
23 2 2 3 33.925 67.85 0.362 4.42 12 382.3 6477.3
24 4 2 -1 34.441 68.881 0.367 4.28 12 380.3 6212.8
25 1 0 4 35.442 70.884 0.376 4.04 6 22.0 9.8
26 5 0 2 36.199 72.398 0.383 3.88 6 18.3 6.5
27 5 1 1 36.387 72.775 0.385 3.84 12 10.4 4.2
28 2 0 -4 37.367 74.733 0.394 3.65 6 365.0 2440.5
29 4 2 2 38.109 76.218 0.401 3.53 12 362.5 4647.3
30 6 0 0 38.356 76.711 0.403 3.49 6 361.7 2287.3
31 2 1 4 39.257 78.514 0.411 3.35 12 18.1 11.0
32 4 1 -3 39.684 79.368 0.414 3.3 12 19.2 12.2
33 4 1 3 39.684 79.368 0.414 3.3 12 13.9 6.4
34 5 1 -2 39.989 79.977 0.417 3.26 12 14.8 7.1
35 4 3 1 40.171 80.342 0.419 3.23 12 10.3 3.4
36 5 2 0 40.232 80.463 0.419 3.23 12 12.4 5.0
37 3 1 -4 42.971 85.942 0.442 2.96 12 20.2 12.1
38 3 3 3 43.391 86.782 0.446 2.93 12 15.7 7.2
39 4 3 -2 43.691 87.382 0.448 2.9 12 16.9 8.3
40 6 1 -1 43.871 87.741 0.45 2.89 12 12.9 4.8
41 4 0 4 44.811 89.622 0.457 2.84 6 334.3 1590.5
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 2 0 1 14.552 29.105 3.06563 38189.2 100.0 100.0 5.6
2 2 0 2 20.633 41.267 2.1859 14606.3 38.2 37.8 5.7
3 2 2 0 20.994 41.988 2.15 13914.6 36.4 36.0 5.7
4 0 0 3 25.336 50.673 1.8 2641.5 6.9 6.8 5.8
5 4 0 1 25.951 51.901 1.76025 7391.3 19.4 18.9 5.8
6 4 0 2 30.167 60.335 1.53282 4643.8 12.2 11.7 5.8
7 2 2 3 33.925 67.85 1.38016 6477.3 17.0 16.2 5.9
8 4 2 1 34.441 68.881 1.362 6212.8 16.3 15.5 5.9
9 2 0 4 37.367 74.733 1.26917 2440.5 6.4 6.0 6.0
10 4 2 2 38.109 76.218 1.2481 4647.3 12.2 11.4 6.0
11 6 0 0 38.356 76.711 1.2413 2287.3 6.0 5.6 6.0
12 4 0 4 44.811 89.622 1.09295 1590.5 4.2 3.8 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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