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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PYRARGYRITE
2, t-pyrargyrite, f-proustite, s-proustite
Ag(3)SbS(3)
Hexagonal R 3c Z = 6
R3c
3 .6 .11
Ref.Str.:
Laufek F., Sejkora J., Dusek M. (2010)
* J. Geosciences, 55, 161-167
R: Haje ore deposit, Pribram distict, Czech Republic.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.0464 alpha = 90.0
b = 11.0464 beta = 90.0
c = 8.7211 gamma = 120.0
Unit cell volume (cub. angs.) = 921.6
Molar volume ( cub.cm/mol.) = 92.52
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 Sb = 1.00
2 0.2469 0.3031 0.2184 0.0 Ag = 1.00
3 0.2215 0.1007 0.3609 0.0 S = 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 0.2469 0.3031 0.2184
3 3 0.2215 0.1007 0.3609
4 2 0.6969 0.9438 0.2184
5 2 0.0562 0.7531 0.2184
6 3 0.8993 0.1208 0.3609
7 3 0.8792 0.7785 0.3609
8 1 0.6667 0.3333 0.3333
9 1 0.3333 0.6667 0.6667
10 2 0.3636 0.2771 0.5517
11 2 0.3895 0.4198 0.8851
12 3 0.566 0.4541 0.6942
13 3 0.2125 0.4452 0.0276
14 2 0.7229 0.0864 0.5517
15 2 0.5802 0.9698 0.8851
16 2 0.9136 0.6364 0.5517
17 2 0.0302 0.6104 0.8851
18 3 0.5459 0.1118 0.6942
19 3 0.5548 0.7674 0.0276
20 3 0.8882 0.434 0.6942
21 3 0.2326 0.7874 0.0276
22 1 0.0 0.0 0.5
23 2 0.2469 0.9438 0.7184
24 3 0.2215 0.1208 0.8609
25 2 0.6969 0.7531 0.7184
26 2 0.0562 0.3031 0.7184
27 3 0.8993 0.7785 0.8609
28 3 0.8792 0.1007 0.8609
29 1 0.6667 0.3333 0.8333
30 1 0.3333 0.6667 0.1667
31 2 0.3636 0.0864 0.0517
32 2 0.3895 0.9698 0.3851
33 3 0.566 0.1118 0.1942
34 3 0.2125 0.7674 0.5276
35 2 0.7229 0.6364 0.0517
36 2 0.5802 0.6105 0.3851
37 2 0.9136 0.2771 0.0517
38 2 0.0302 0.4198 0.3851
39 3 0.5459 0.434 0.1942
40 3 0.5548 0.7875 0.5276
41 3 0.8882 0.4541 0.1942
42 3 0.2326 0.4452 0.5276
X-ray density (g/cm cub.) = 5.85
MU (1/cm) = 1210.282 Mass attenuation coefficient (cm**2/g) = 206.797
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sb 3.264 3
2.4442 3
2.4441 3
2.4442 3
2 Ag 3.54 4
2.4484 3
2.4439 3
2.8752 3
3.1631 3
3 S 4.368 8
3.6751 3
3.6751 3
4.3662 3
4.3662 3
4.0173 3
3.9135 3
3.9136 3
4.0174 3
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 0 8.017 16.034 0.091 99.88 6 39.4 109.5
2 1 0 -2 11.194 22.388 0.126 50.17 6 163.2 944.2
3 2 1 1 13.333 26.667 0.15 34.75 12 346.5 5895.4
4 2 0 2 13.83 27.659 0.155 32.16 6 415.0 3913.2
5 3 0 0 13.978 27.957 0.157 31.44 6 468.2 4869.7
6 2 1 -2 16.066 32.132 0.18 23.33 12 493.5 8027.4
7 2 2 0 16.196 32.392 0.181 22.93 6 219.2 778.5
8 1 1 3 17.423 34.847 0.194 19.56 12 476.9 6285.0
9 3 1 -1 17.665 35.33 0.197 18.98 12 476.4 6085.8
10 3 1 2 19.867 39.733 0.221 14.65 12 301.5 1881.6
11 3 2 1 21.218 42.436 0.235 12.65 12 286.1 1463.1
12 1 0 4 21.245 42.49 0.235 12.61 6 294.9 774.9
13 4 0 -2 21.551 43.103 0.238 12.22 6 160.6 222.5
14 4 1 0 21.653 43.306 0.24 12.09 12 217.0 804.3
15 2 2 3 22.626 45.253 0.25 10.95 12 167.4 433.4
16 2 0 -4 22.847 45.693 0.252 10.71 6 187.9 267.1
17 3 2 -2 23.136 46.273 0.255 10.41 12 475.0 3317.5
18 2 1 4 24.365 48.731 0.268 9.26 12 358.1 1677.3
19 3 3 0 24.733 49.466 0.272 8.95 6 268.3 454.9
20 4 2 -1 25.793 51.586 0.282 8.13 12 310.3 1106.2
21 5 0 2 26.081 52.162 0.285 7.93 6 539.6 1630.7
22 4 1 -3 27.018 54.036 0.295 7.32 12 148.7 228.6
23 4 1 3 27.018 54.036 0.295 7.32 12 163.7 276.9
24 5 1 1 27.189 54.378 0.297 7.21 12 89.9 82.3
25 3 1 -4 27.211 54.423 0.297 7.2 12 475.5 2299.7
26 4 2 2 27.467 54.933 0.299 7.05 12 405.3 1635.7
27 4 0 4 28.559 57.119 0.31 6.45 6 489.9 1093.5
28 5 1 -2 28.807 57.613 0.313 6.33 12 340.5 1036.3
29 6 0 0 28.889 57.778 0.314 6.28 6 500.3 1111.5
30 2 1 -5 29.361 58.723 0.318 6.06 12 275.9 651.5
31 3 3 3 29.685 59.371 0.321 5.91 12 157.8 208.0
32 4 3 1 29.846 59.693 0.323 5.84 12 292.6 706.5
33 3 2 4 29.867 59.735 0.323 5.83 12 133.1 145.9
34 5 2 0 30.188 60.376 0.326 5.69 12 454.1 1658.8
35 4 3 -2 31.376 62.753 0.338 5.23 12 152.6 172.0
36 3 1 5 31.904 63.808 0.343 5.04 12 362.6 936.1
37 0 0 6 32.002 64.003 0.344 5.01 2 646.2 492.1
38 6 1 -1 32.367 64.733 0.347 4.88 12 202.8 283.7
39 5 0 -4 32.387 64.773 0.348 4.88 6 155.2 83.0
40 1 1 6 33.229 66.458 0.356 4.62 12 341.7 761.6
41 4 2 -4 33.607 67.213 0.359 4.51 12 388.4 960.6
42 6 1 2 33.832 67.664 0.361 4.44 12 224.2 315.7
43 4 4 0 33.907 67.815 0.362 4.42 6 97.0 29.4
44 3 2 -5 34.34 68.68 0.366 4.31 12 222.4 301.2
45 5 2 -3 34.637 69.275 0.369 4.23 12 256.2 392.5
46 5 2 3 34.637 69.275 0.369 4.23 12 229.8 315.8
47 5 3 -1 34.786 69.572 0.37 4.2 12 183.6 199.9
48 5 1 4 34.805 69.61 0.371 4.19 12 246.4 359.4
49 3 0 -6 35.619 71.239 0.378 4.0 6 232.1 152.2
50 3 0 6 35.619 71.239 0.378 4.0 6 125.0 44.1
51 6 2 1 35.966 71.933 0.381 3.93 12 232.1 298.8
52 5 3 2 36.204 72.408 0.383 3.88 12 86.9 41.3
53 7 0 -2 36.204 72.408 0.383 3.88 6 157.3 67.8
54 2 2 6 36.789 73.577 0.389 3.76 12 193.9 199.7
55 4 3 4 37.15 74.3 0.392 3.69 12 146.0 111.3
56 6 2 -2 37.366 74.732 0.394 3.65 12 104.2 56.1
57 7 1 0 37.438 74.876 0.395 3.64 12 309.7 493.3
58 4 2 5 37.853 75.707 0.398 3.57 12 276.9 386.6
59 4 4 3 38.14 76.279 0.401 3.52 12 228.5 259.7
60 5 1 -5 38.998 77.996 0.408 3.39 12 60.7 17.6
61 5 4 1 39.423 78.846 0.412 3.33 12 218.0 223.7
62 6 1 -4 39.442 78.884 0.412 3.33 12 343.2 553.7
63 6 3 0 39.725 79.449 0.415 3.29 12 92.2 39.5
64 4 1 -6 40.222 80.443 0.419 3.23 12 130.2 77.3
65 4 1 6 40.222 80.443 0.419 3.23 12 268.4 328.5
66 5 4 -2 40.784 81.568 0.424 3.16 12 510.2 1162.6
67 2 1 7 40.839 81.678 0.424 3.16 12 230.4 236.6
68 4 3 -5 41.26 82.52 0.428 3.11 12 262.0 301.7
69 7 1 -3 41.54 83.08 0.43 3.08 12 378.1 622.5
70 7 1 3 41.54 83.08 0.43 3.08 12 387.0 652.3
71 7 2 -1 41.68 83.36 0.432 3.07 12 55.5 13.3
72 5 3 -4 41.698 83.396 0.432 3.07 12 225.4 220.2
73 7 0 4 41.698 83.396 0.432 3.07 6 176.7 67.6
74 8 0 2 41.908 83.815 0.434 3.05 6 322.7 224.2
75 3 3 6 42.469 84.938 0.438 3.0 12 279.8 331.5
76 6 2 4 42.818 85.635 0.441 2.97 12 352.4 520.9
77 7 2 2 43.027 86.053 0.443 2.95 12 156.8 102.5
78 3 1 -7 43.081 86.162 0.443 2.95 12 325.6 441.7
79 6 1 5 43.499 86.997 0.447 2.92 12 173.6 124.3
80 6 3 -3 43.777 87.553 0.449 2.9 12 175.2 125.7
81 6 3 3 43.777 87.553 0.449 2.9 12 175.7 126.4
82 8 1 1 43.916 87.831 0.45 2.89 12 185.2 140.0
83 5 5 0 44.212 88.424 0.453 2.87 6 353.4 253.4
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 8.017 16.034 5.5232 109.5 1.4 1.4 5.6
2 1 0 2 11.194 22.388 3.9678 944.2 11.8 11.9 5.6
3 2 1 1 13.333 26.667 3.34009 5895.4 73.4 73.8 5.6
4 2 0 2 13.83 27.659 3.22247 3913.2 48.7 48.9 5.6
5 3 0 0 13.978 27.957 3.18882 4869.7 60.7 60.9 5.6
6 2 1 2 16.066 32.132 2.78337 8027.4 100.0 100.0 5.6
7 2 2 0 16.196 32.392 2.7616 778.5 9.7 9.7 5.6
8 1 1 3 17.423 34.847 2.57247 6285.0 78.3 78.1 5.7
9 3 1 1 17.665 35.33 2.53838 6085.8 75.8 75.6 5.7
10 3 1 2 19.867 39.733 2.26664 1881.6 23.4 23.3 5.7
11 3 2 1 21.218 42.436 2.12834 2238.0 27.9 27.6 5.7
12 4 0 2 21.551 43.103 2.09693 222.5 2.8 2.7 5.7
13 4 1 0 21.653 43.306 2.08757 804.3 10.0 9.9 5.7
14 2 2 3 22.626 45.253 2.00219 433.4 5.4 5.3 5.7
15 2 0 4 22.847 45.693 1.9839 267.1 3.3 3.3 5.7
16 3 2 2 23.136 46.273 1.9604 3317.5 41.3 40.8 5.7
17 2 1 4 24.365 48.731 1.8671 1677.3 20.9 20.5 5.7
18 3 3 0 24.733 49.466 1.84107 454.9 5.7 5.6 5.7
19 4 2 1 25.793 51.586 1.77025 1106.2 13.8 13.5 5.8
20 5 0 2 26.081 52.162 1.75206 1630.7 20.3 19.9 5.8
21 4 1 3 27.018 54.036 1.69565 505.5 6.3 6.2 5.8
22 3 1 4 27.211 54.423 1.6845 2382.0 29.7 29.0 5.8
23 4 2 2 27.467 54.933 1.67004 1635.7 20.4 19.9 5.8
24 4 0 4 28.559 57.119 1.61123 1093.5 13.6 13.3 5.8
25 5 1 2 28.807 57.613 1.59857 1036.3 12.9 12.5 5.8
26 6 0 0 28.889 57.778 1.59441 1111.5 13.8 13.5 5.8
27 2 1 5 29.361 58.723 1.57099 651.5 8.1 7.9 5.8
28 3 3 3 29.685 59.371 1.55538 208.0 2.6 2.5 5.8
29 4 3 1 29.846 59.693 1.54775 852.4 10.6 10.3 5.8
30 5 2 0 30.188 60.376 1.53186 1658.8 20.7 20.0 5.8
31 4 3 2 31.376 62.753 1.47943 172.0 2.1 2.1 5.9
32 3 1 5 31.904 63.808 1.45749 936.1 11.7 11.2 5.9
33 0 0 6 32.002 64.003 1.45352 492.1 6.1 5.9 5.9
34 6 1 1 32.367 64.733 1.43888 366.7 4.6 4.4 5.9
35 1 1 6 33.229 66.458 1.40566 761.6 9.5 9.1 5.9
36 4 2 4 33.607 67.213 1.39168 960.6 12.0 11.5 5.9
37 6 1 2 33.832 67.664 1.3835 315.7 3.9 3.8 5.9
38 3 2 5 34.34 68.68 1.3655 301.2 3.8 3.6 5.9
39 5 2 3 34.637 69.275 1.35522 708.3 8.8 8.4 5.9
40 5 1 4 34.805 69.61 1.3495 559.4 7.0 6.6 5.9
41 3 0 6 35.619 71.239 1.3226 196.4 2.4 2.3 5.9
42 6 2 1 35.966 71.933 1.31154 298.8 3.7 3.5 5.9
43 7 0 2 36.204 72.408 1.30409 109.1 1.4 1.3 5.9
44 2 2 6 36.789 73.577 1.28624 199.7 2.5 2.4 6.0
45 4 3 4 37.15 74.3 1.2755 111.3 1.4 1.3 6.0
46 7 1 0 37.438 74.876 1.26711 493.3 6.1 5.8 6.0
47 4 2 5 37.853 75.707 1.25526 386.6 4.8 4.5 6.0
48 4 4 3 38.14 76.279 1.24725 259.7 3.2 3.0 6.0
49 6 1 4 39.442 78.884 1.21248 777.4 9.7 9.1 6.0
50 4 1 6 40.222 80.443 1.19285 405.8 5.1 4.7 6.0
51 5 4 2 40.784 81.568 1.17922 1162.6 14.5 13.5 6.1
52 2 1 7 40.839 81.678 1.17791 236.6 2.9 2.7 6.1
53 4 3 5 41.26 82.52 1.16802 301.7 3.8 3.5 6.1
54 7 1 3 41.54 83.08 1.16156 1274.7 15.9 14.7 6.1
55 7 0 4 41.698 83.396 1.15796 301.2 3.8 3.5 6.1
56 8 0 2 41.908 83.815 1.15323 224.2 2.8 2.6 6.1
57 3 3 6 42.469 84.938 1.14083 331.5 4.1 3.8 6.1
58 6 2 4 42.818 85.635 1.13332 520.9 6.5 6.0 6.1
59 7 2 2 43.027 86.053 1.12889 102.5 1.3 1.2 6.1
60 3 1 7 43.081 86.162 1.12773 441.7 5.5 5.1 6.1
61 6 1 5 43.499 86.997 1.11904 124.3 1.5 1.4 6.1
62 6 3 3 43.777 87.553 1.11336 252.1 3.1 2.9 6.2
63 8 1 1 43.916 87.831 1.11055 140.0 1.7 1.6 6.2
64 5 5 0 44.212 88.424 1.10464 253.4 3.2 2.9 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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