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
1, t-pyrargyrite, f-proustite, s-proustite
Ag(3)SbS(3)
Hexagonal R 3c Z = 6
R3c
22 .5 .1991
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystal Structures, 2, 509-510
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.02 alpha = 90.0
b = 11.02 beta = 90.0
c = 8.73 gamma = 120.0
Unit cell volume (cub. angs.) = 918.14
Molar volume ( cub.cm/mol.) = 92.17
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 0.25 0.305 0.21 0.0 Ag = 1.00
3 0.22 0.105 0.355 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 0.25 0.305 0.21
3 3 0.22 0.105 0.355
4 2 0.695 0.945 0.21
5 2 0.055 0.75 0.21
6 3 0.895 0.115 0.355
7 3 0.885 0.78 0.355
8 1 0.6667 0.3333 0.3333
9 1 0.3333 0.6667 0.6667
10 2 0.3617 0.2783 0.5433
11 2 0.3883 0.4167 0.8767
12 3 0.5617 0.4483 0.6883
13 3 0.2183 0.4467 0.0217
14 2 0.7217 0.0833 0.5433
15 2 0.5833 0.9717 0.8767
16 2 0.9167 0.6383 0.5433
17 2 0.0283 0.6116 0.8767
18 3 0.5517 0.1133 0.6883
19 3 0.5533 0.7717 0.0217
20 3 0.8867 0.4383 0.6883
21 3 0.2283 0.7817 0.0217
22 1 0.0 0.0 0.5
23 2 0.25 0.945 0.71
24 3 0.22 0.115 0.855
25 2 0.695 0.75 0.71
26 2 0.055 0.305 0.71
27 3 0.895 0.78 0.855
28 3 0.885 0.105 0.855
29 1 0.6667 0.3333 0.8333
30 1 0.3333 0.6667 0.1667
31 2 0.3617 0.0833 0.0433
32 2 0.3883 0.9717 0.3767
33 3 0.5617 0.1133 0.1883
34 3 0.2183 0.7717 0.5217
35 2 0.7217 0.6383 0.0433
36 2 0.5833 0.6117 0.3767
37 2 0.9167 0.2783 0.0433
38 2 0.0283 0.4167 0.3767
39 3 0.5517 0.4383 0.1883
40 3 0.5533 0.7817 0.5217
41 3 0.8867 0.4483 0.1883
42 3 0.2283 0.4467 0.5217
X-ray density (g/cm cub.) = 5.87
MU (1/cm) = 1214.848 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
2.4523 3
2.4522 3
2.4523 3
2 Ag 3.54 4
2.4167 3
2.4098 3
2.8917 3
3.2047 3
3 S 4.368 8
3.6378 3
3.6378 3
4.3664 3
4.3664 3
3.9945 3
3.9424 3
3.9425 3
3.9946 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 8.036 16.072 0.091 99.39 6 41.7 123.2
2 1 0 -2 11.189 22.378 0.126 50.22 6 175.6 1101.6
3 2 1 1 13.359 26.718 0.15 34.61 12 352.8 6134.6
4 2 0 2 13.837 27.674 0.155 32.13 6 387.3 3430.1
5 3 0 0 14.013 28.025 0.157 31.28 6 492.8 5405.7
6 2 1 -2 16.083 32.165 0.18 23.28 12 488.2 7897.4
7 2 2 0 16.236 32.472 0.181 22.81 6 201.5 659.1
8 1 1 3 17.419 34.837 0.194 19.58 12 479.5 6405.6
9 3 1 -1 17.704 35.407 0.197 18.89 12 463.2 5769.2
10 3 1 2 19.897 39.795 0.221 14.6 12 329.5 2256.5
11 1 0 4 21.226 42.452 0.235 12.64 6 287.6 744.1
12 3 2 1 21.267 42.533 0.235 12.59 12 263.1 1240.1
13 4 0 -2 21.588 43.176 0.239 12.17 6 203.1 357.3
14 4 1 0 21.707 43.415 0.24 12.02 12 200.9 690.6
15 2 2 3 22.645 45.29 0.25 10.93 12 196.6 601.2
16 2 0 -4 22.836 45.672 0.252 10.72 6 146.7 164.2
17 3 2 -2 23.178 46.356 0.255 10.37 12 467.5 3224.9
18 2 1 4 24.363 48.725 0.268 9.26 12 372.3 1827.2
19 3 3 0 24.796 49.592 0.272 8.89 6 295.1 551.3
20 4 2 -1 25.856 51.711 0.283 8.09 12 325.1 1216.2
21 5 0 2 26.133 52.266 0.286 7.89 6 529.1 1572.6
22 4 1 -3 27.054 54.108 0.295 7.29 12 141.2 206.9
23 4 1 3 27.054 54.108 0.295 7.29 12 146.3 222.3
24 3 1 -4 27.222 54.444 0.297 7.19 12 469.2 2254.2
25 5 1 1 27.256 54.512 0.297 7.17 12 110.7 125.2
26 4 2 2 27.523 55.046 0.3 7.01 12 403.8 1628.0
27 4 0 4 28.576 57.152 0.31 6.44 6 477.6 1045.8
28 5 1 -2 28.868 57.736 0.313 6.3 12 341.6 1045.6
29 6 0 0 28.965 57.929 0.314 6.25 6 478.5 1018.3
30 2 1 -5 29.349 58.699 0.318 6.06 12 274.6 650.8
31 3 3 3 29.732 59.463 0.322 5.89 12 156.5 205.4
32 3 2 4 29.89 59.78 0.323 5.82 12 146.6 178.1
33 4 3 1 29.922 59.843 0.324 5.81 12 294.1 715.1
34 5 2 0 30.268 60.536 0.327 5.66 12 451.4 1641.4
35 4 3 -2 31.446 62.893 0.339 5.2 12 121.3 109.0
36 3 1 5 31.904 63.809 0.343 5.04 12 359.8 928.4
37 0 0 6 31.965 63.93 0.344 5.02 2 712.8 604.8
38 5 0 -4 32.42 64.84 0.348 4.87 6 159.6 88.2
39 6 1 -1 32.45 64.9 0.348 4.86 12 246.8 421.0
40 1 1 6 33.199 66.398 0.355 4.63 12 303.7 607.2
41 4 2 -4 33.645 67.29 0.36 4.5 12 402.9 1038.8
42 6 1 2 33.911 67.822 0.362 4.42 12 255.6 411.3
43 4 4 0 34.0 67.999 0.363 4.4 6 102.0 32.6
44 3 2 -5 34.352 68.703 0.366 4.31 12 208.9 267.6
45 5 2 -3 34.703 69.406 0.37 4.22 12 226.0 306.6
46 5 2 3 34.703 69.406 0.37 4.22 12 213.6 273.8
47 5 1 4 34.849 69.697 0.371 4.18 12 262.6 410.4
48 5 3 -1 34.878 69.756 0.371 4.17 12 187.8 209.6
49 3 0 -6 35.602 71.203 0.378 4.01 6 288.2 236.9
50 3 0 6 35.602 71.203 0.378 4.01 6 177.1 89.5
51 6 2 1 36.063 72.125 0.382 3.91 12 231.5 298.1
52 5 3 2 36.292 72.584 0.384 3.86 12 106.5 62.3
53 7 0 -2 36.292 72.584 0.384 3.86 6 120.0 39.5
54 2 2 6 36.777 73.553 0.389 3.76 12 188.8 191.0
55 4 3 4 37.203 74.407 0.392 3.68 12 131.7 90.9
56 6 2 -2 37.458 74.917 0.395 3.64 12 125.2 81.1
57 7 1 0 37.543 75.086 0.396 3.62 12 294.8 448.0
58 4 2 5 37.881 75.763 0.399 3.56 12 280.1 398.0
59 4 4 3 38.219 76.439 0.402 3.51 12 249.1 309.9
60 5 1 -5 39.031 78.062 0.409 3.38 12 85.5 35.2
61 6 1 -4 39.505 79.01 0.413 3.32 12 362.8 621.7
62 5 4 1 39.533 79.066 0.413 3.32 12 166.8 131.3
63 6 3 0 39.839 79.677 0.416 3.28 12 95.1 42.2
64 4 1 -6 40.226 80.453 0.419 3.23 12 113.3 59.0
65 4 1 6 40.226 80.453 0.419 3.23 12 261.5 314.2
66 2 1 7 40.807 81.613 0.424 3.16 12 231.6 241.1
67 5 4 -2 40.89 81.781 0.425 3.15 12 518.2 1203.9
68 4 3 -5 41.303 82.607 0.428 3.11 12 256.7 291.3
69 7 1 -3 41.634 83.268 0.431 3.07 12 361.0 569.9
70 7 1 3 41.634 83.268 0.431 3.07 12 365.4 584.2
71 5 3 -4 41.771 83.543 0.432 3.06 12 179.2 139.8
72 7 0 4 41.771 83.543 0.432 3.06 6 168.1 61.5
73 7 2 -1 41.799 83.598 0.433 3.06 12 63.7 17.7
74 8 0 2 42.019 84.037 0.435 3.04 6 322.3 224.5
75 3 3 6 42.485 84.969 0.438 3.0 12 275.7 324.1
76 6 2 4 42.896 85.792 0.442 2.96 12 313.7 415.0
77 3 1 -7 43.06 86.119 0.443 2.95 12 316.4 420.2
78 7 2 2 43.143 86.285 0.444 2.94 12 184.0 141.8
79 6 1 5 43.553 87.105 0.447 2.91 12 211.6 185.7
80 6 3 -3 43.881 87.762 0.45 2.89 12 183.4 138.4
81 6 3 3 43.881 87.762 0.45 2.89 12 183.4 138.5
82 8 1 1 44.045 88.09 0.451 2.88 12 195.5 156.8
83 5 5 0 44.346 88.691 0.454 2.86 6 384.4 301.1
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 0 8.036 16.072 5.51 123.2 1.6 1.6 5.6
2 1 0 2 11.189 22.378 3.96951 1101.6 13.9 14.1 5.6
3 2 1 1 13.359 26.718 3.33377 6134.6 77.7 78.0 5.6
4 2 0 2 13.837 27.674 3.22075 3430.1 43.4 43.6 5.6
5 3 0 0 14.013 28.025 3.1812 5405.7 68.4 68.7 5.6
6 2 1 2 16.083 32.165 2.78057 7897.4 100.0 100.0 5.6
7 2 2 0 16.236 32.472 2.755 659.1 8.3 8.3 5.6
8 1 1 3 17.419 34.837 2.57318 6405.6 81.1 80.9 5.7
9 3 1 1 17.704 35.407 2.53305 5769.2 73.1 72.8 5.7
10 3 1 2 19.897 39.795 2.2633 2256.5 28.6 28.4 5.7
11 1 0 4 21.226 42.452 2.12757 744.1 9.4 9.3 5.7
12 3 2 1 21.267 42.533 2.12368 1240.1 15.7 15.5 5.7
13 4 0 2 21.588 43.176 2.09356 357.3 4.5 4.5 5.7
14 4 1 0 21.707 43.415 2.08258 690.6 8.7 8.7 5.7
15 2 2 3 22.645 45.29 2.00063 601.2 7.6 7.5 5.7
16 2 0 4 22.836 45.672 1.98475 164.2 2.1 2.1 5.7
17 3 2 2 23.178 46.356 1.95706 3224.9 40.8 40.3 5.7
18 2 1 4 24.363 48.725 1.86731 1827.2 23.1 22.8 5.7
19 3 3 0 24.796 49.592 1.83667 551.3 7.0 6.9 5.7
20 4 2 1 25.856 51.711 1.76627 1216.2 15.4 15.1 5.8
21 5 0 2 26.133 52.266 1.74883 1572.6 19.9 19.5 5.8
22 4 1 3 27.054 54.108 1.69356 429.2 5.4 5.3 5.8
23 3 1 4 27.222 54.444 1.6839 2254.2 28.5 27.9 5.8
24 5 1 1 27.256 54.512 1.68197 125.2 1.6 1.5 5.8
25 4 2 2 27.523 55.046 1.66689 1628.0 20.6 20.1 5.8
26 4 0 4 28.576 57.152 1.61038 1045.8 13.2 12.9 5.8
27 5 1 2 28.868 57.736 1.59548 1045.6 13.2 12.9 5.8
28 6 0 0 28.965 57.929 1.5906 1018.3 12.9 12.5 5.8
29 2 1 5 29.349 58.699 1.57157 650.8 8.2 8.0 5.8
30 3 3 3 29.732 59.463 1.55318 205.4 2.6 2.5 5.8
31 3 2 4 29.89 59.78 1.54571 178.1 2.3 2.2 5.8
32 4 3 1 29.922 59.843 1.54422 715.1 9.1 8.8 5.8
33 5 2 0 30.268 60.536 1.5282 1641.4 20.8 20.1 5.8
34 4 3 2 31.446 62.893 1.47648 109.0 1.4 1.3 5.9
35 3 1 5 31.904 63.809 1.45747 928.4 11.8 11.3 5.9
36 0 0 6 31.965 63.93 1.455 604.8 7.7 7.4 5.9
37 5 0 4 32.42 64.84 1.43677 88.2 1.1 1.1 5.9
38 6 1 1 32.45 64.9 1.43557 421.0 5.3 5.1 5.9
39 1 1 6 33.199 66.398 1.40678 607.2 7.7 7.4 5.9
40 4 2 4 33.645 67.29 1.39029 1038.8 13.2 12.6 5.9
41 6 1 2 33.911 67.822 1.38066 411.3 5.2 5.0 5.9
42 3 2 5 34.352 68.703 1.36509 267.6 3.4 3.2 5.9
43 5 2 3 34.703 69.406 1.35298 580.4 7.3 7.0 5.9
44 5 1 4 34.849 69.697 1.34804 620.0 7.9 7.5 5.9
45 3 0 6 35.602 71.203 1.32317 326.3 4.1 3.9 5.9
46 6 2 1 36.063 72.125 1.30851 298.1 3.8 3.6 5.9
47 5 3 2 36.292 72.584 1.30137 101.9 1.3 1.2 6.0
48 2 2 6 36.777 73.553 1.28659 191.0 2.4 2.3 6.0
49 4 3 4 37.203 74.407 1.27394 90.9 1.2 1.1 6.0
50 6 2 2 37.458 74.917 1.26652 81.1 1.0 1.0 6.0
51 7 1 0 37.543 75.086 1.26408 448.0 5.7 5.4 6.0
52 4 2 5 37.881 75.763 1.25447 398.0 5.0 4.8 6.0
53 4 4 3 38.219 76.439 1.24505 309.9 3.9 3.7 6.0
54 6 1 4 39.505 79.01 1.21086 753.0 9.5 8.9 6.0
55 4 1 6 40.226 80.453 1.19274 373.2 4.7 4.4 6.0
56 2 1 7 40.807 81.613 1.17868 241.1 3.1 2.8 6.1
57 5 4 2 40.89 81.781 1.1767 1203.9 15.2 14.2 6.1
58 4 3 5 41.303 82.607 1.16701 291.3 3.7 3.4 6.1
59 7 1 3 41.634 83.268 1.15942 1154.1 14.6 13.5 6.1
60 5 3 4 41.771 83.543 1.1563 219.0 2.8 2.6 6.1
61 8 0 2 42.019 84.037 1.15075 224.5 2.8 2.6 6.1
62 3 3 6 42.485 84.969 1.14049 324.1 4.1 3.8 6.1
63 6 2 4 42.896 85.792 1.13165 415.0 5.3 4.8 6.1
64 3 1 7 43.06 86.119 1.12819 420.2 5.3 4.9 6.1
65 7 2 2 43.143 86.285 1.12644 141.8 1.8 1.7 6.1
66 6 1 5 43.553 87.105 1.11794 185.7 2.4 2.2 6.1
67 6 3 3 43.881 87.762 1.11126 276.9 3.5 3.2 6.2
68 8 1 1 44.045 88.09 1.10796 156.8 2.0 1.8 6.2
69 5 5 0 44.346 88.691 1.102 301.1 3.8 3.5 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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