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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STROMEYERITE
2, syn, at 298'K, f-stromeyerite
AgCuS
Orthorhombic C mc2(1) Z = 4
R =0.061 NR =278
13 .11 .1992
Ref.Str.:
Baker C.L., Lincoln F.J. (1991)
* Acta Cryst., B47, 891-899
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.059 alpha = 90.0
b = 6.617 beta = 90.0
c = 7.967 gamma = 90.0
Unit cell volume (cub. angs.) = 213.98
Molar volume ( cub.cm/mol.) = 32.22
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.495 0.5 0.0 Ag = 1.00
2 0.0 0.4328 0.2486 0.0 Cu = 1.00
3 0.5 0.2859 0.2484 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.495 0.5
2 2 0.0 0.4328 0.2486
3 3 0.5 0.2859 0.2484
4 1 0.5 0.505 0.0
5 2 0.0 0.5672 0.7486
6 3 0.5 0.7141 0.7484
7 1 0.0 0.005 0.0
8 2 0.5 0.0672 0.7486
9 3 0.0 0.2141 0.7484
10 1 0.0 0.995 0.5
11 2 0.5 0.9328 0.2486
12 3 0.0 0.7859 0.2484
X-ray density (g/cm cub.) = 6.31
MU (1/cm) = 922.65 Mass attenuation coefficient (cm**2/g) = 146.129
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag 3.54 6
2.4357 3
2.4532 3
3.3897 3
3.3897 3
3.4412 3
3.4412 3
2 Cu 3.36 3
2.2503 3
2.2503 3
2.3365 3
3 S 4.368 6
4.059 3
4.059 3
3.8814 3
3.8814 3
3.8814 3
3.8814 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 0 0 2 11.149 22.299 0.126 50.59 2 15.5 53.3
2 1 1 0 12.864 25.727 0.145 37.49 4 87.7 2521.2
3 0 2 0 13.463 26.926 0.151 34.05 2 182.6 4957.8
4 1 1 1 14.047 28.094 0.158 31.12 8 10.8 63.7
5 0 2 1 14.602 29.203 0.164 28.65 4 94.5 2235.6
6 1 1 2 17.15 34.301 0.191 20.25 8 230.0 18712.2
7 0 2 2 17.617 35.233 0.196 19.1 4 132.5 2930.9
8 1 1 3 21.447 42.894 0.237 12.35 8 6.4 8.9
9 0 2 3 21.835 43.67 0.241 11.86 4 85.8 763.4
10 2 0 0 22.305 44.611 0.246 11.31 2 272.0 3653.8
11 0 0 4 22.752 45.503 0.251 10.81 2 270.0 3443.9
12 1 3 0 23.419 46.839 0.258 10.13 4 86.7 664.4
13 1 3 1 24.145 48.29 0.266 9.45 8 115.1 2186.9
14 2 0 2 25.212 50.423 0.276 8.56 4 9.9 7.3
15 1 3 2 26.232 52.463 0.287 7.82 8 181.4 4497.9
16 2 2 0 26.44 52.88 0.289 7.68 4 153.7 1585.8
17 1 1 4 26.503 53.005 0.29 7.64 8 63.1 532.2
18 0 2 4 26.834 53.668 0.293 7.43 4 152.8 1515.4
19 2 2 1 27.106 54.212 0.296 7.26 8 79.7 806.9
20 0 4 0 27.751 55.503 0.302 6.88 2 141.5 602.3
21 0 4 1 28.396 56.793 0.309 6.53 4 55.4 175.4
22 2 2 2 29.041 58.082 0.315 6.21 8 104.7 1189.9
23 1 3 3 29.475 58.949 0.319 6.01 8 106.7 1195.1
24 0 4 2 30.278 60.555 0.327 5.66 4 110.3 601.4
25 2 2 3 32.1 64.2 0.345 4.97 8 75.0 488.6
26 1 1 5 32.156 64.311 0.345 4.95 8 3.9 1.3
27 0 2 5 32.45 64.9 0.348 4.86 4 74.1 233.1
28 2 0 4 32.811 65.621 0.352 4.74 4 232.5 2238.9
29 0 4 3 33.27 66.54 0.356 4.6 4 52.6 111.4
30 1 3 4 33.68 67.361 0.36 4.49 8 72.6 413.3
31 0 0 6 35.458 70.916 0.377 4.04 2 8.3 1.2
32 3 1 0 35.527 71.055 0.377 4.02 4 53.3 99.9
33 3 1 1 36.092 72.184 0.382 3.9 8 4.0 1.1
34 2 2 4 36.14 72.28 0.383 3.89 8 133.2 1205.9
35 2 4 0 36.922 73.844 0.39 3.73 4 123.5 498.0
36 0 4 4 37.25 74.5 0.393 3.67 4 123.0 485.6
37 2 4 1 37.478 74.956 0.395 3.63 8 49.1 153.3
38 1 5 0 37.749 75.498 0.397 3.59 4 177.5 986.8
39 3 1 2 37.765 75.529 0.398 3.58 8 170.8 1826.9
40 1 5 1 38.301 76.601 0.402 3.5 8 51.6 162.4
41 1 1 6 38.415 76.83 0.403 3.48 8 169.3 1741.5
42 0 2 6 38.688 77.376 0.406 3.44 4 91.0 248.6
43 1 3 5 38.743 77.487 0.406 3.43 8 95.6 546.8
44 2 4 2 39.13 78.26 0.41 3.37 8 96.9 552.6
45 1 5 2 39.942 79.884 0.417 3.26 8 41.2 96.5
46 3 1 3 40.501 81.002 0.422 3.19 8 4.2 1.0
47 2 2 5 41.089 82.178 0.427 3.13 8 66.4 241.2
48 2 4 3 41.842 83.685 0.433 3.05 8 46.4 115.0
49 3 3 0 41.904 83.809 0.434 3.05 4 64.6 111.1
50 0 4 5 42.16 84.32 0.436 3.02 4 45.4 54.4
51 3 3 1 42.443 84.885 0.438 3.0 8 91.0 433.9
52 1 5 3 42.644 85.287 0.44 2.98 8 48.0 120.0
53 2 0 6 43.887 87.773 0.45 2.89 4 7.2 1.3
54 3 3 2 44.053 88.105 0.451 2.88 8 142.3 1020.0
55 3 1 4 44.268 88.537 0.453 2.87 8 48.4 117.4
56 0 6 0 44.303 88.606 0.453 2.87 2 39.1 19.1
57 1 3 6 44.684 89.369 0.456 2.84 8 141.3 992.7
58 0 6 1 44.839 89.678 0.458 2.84 4 70.8 124.2
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 12.864 25.727 3.45991 2521.2 13.5 13.6 5.6
2 0 2 0 13.463 26.926 3.3085 4957.8 26.5 26.7 5.6
3 0 2 1 14.602 29.203 3.05551 2235.6 11.9 12.0 5.6
4 1 1 2 17.15 34.301 2.61217 18712.2 100.0 100.0 5.7
5 0 2 2 17.617 35.233 2.54514 2930.9 15.7 15.6 5.7
6 0 2 3 21.835 43.67 2.07102 763.4 4.1 4.0 5.7
7 2 0 0 22.305 44.611 2.0295 3653.8 19.5 19.3 5.7
8 0 0 4 22.752 45.503 1.99175 3443.9 18.4 18.2 5.7
9 1 3 0 23.419 46.839 1.93802 664.4 3.6 3.5 5.7
10 1 3 1 24.145 48.29 1.8831 2186.9 11.7 11.5 5.7
11 1 3 2 26.232 52.463 1.74271 4497.9 24.0 23.6 5.8
12 2 2 0 26.44 52.88 1.72996 1585.8 8.5 8.3 5.8
13 1 1 4 26.503 53.005 1.72616 532.2 2.8 2.8 5.8
14 0 2 4 26.834 53.668 1.7064 1515.4 8.1 7.9 5.8
15 2 2 1 27.106 54.212 1.69056 806.9 4.3 4.2 5.8
16 0 4 0 27.751 55.503 1.65425 602.3 3.2 3.1 5.8
17 2 2 2 29.041 58.082 1.58678 1189.9 6.4 6.2 5.8
18 1 3 3 29.475 58.949 1.56548 1195.1 6.4 6.2 5.8
19 0 4 2 30.278 60.555 1.52775 601.4 3.2 3.1 5.8
20 2 2 3 32.1 64.2 1.44953 488.6 2.6 2.5 5.9
21 0 2 5 32.45 64.9 1.43559 233.1 1.2 1.2 5.9
22 2 0 4 32.811 65.621 1.42154 2238.9 12.0 11.5 5.9
23 1 3 4 33.68 67.361 1.38899 413.3 2.2 2.1 5.9
24 2 2 4 36.14 72.28 1.30608 1205.9 6.4 6.1 5.9
25 2 4 0 36.922 73.844 1.28225 498.0 2.7 2.5 6.0
26 0 4 4 37.25 74.5 1.27257 485.6 2.6 2.5 6.0
27 3 1 2 37.765 75.529 1.25776 2813.7 15.0 14.2 6.0
28 1 1 6 38.415 76.83 1.23968 1741.5 9.3 8.8 6.0
29 0 2 6 38.688 77.376 1.23229 248.6 1.3 1.3 6.0
30 1 3 5 38.743 77.487 1.23081 546.8 2.9 2.7 6.0
31 2 4 2 39.13 78.26 1.22058 552.6 3.0 2.8 6.0
32 2 2 5 41.089 82.178 1.17201 241.2 1.3 1.2 6.1
33 3 3 1 42.443 84.885 1.14141 433.9 2.3 2.1 6.1
34 3 3 2 44.053 88.105 1.10781 1020.0 5.5 5.0 6.2
35 1 3 6 44.684 89.369 1.09539 992.7 5.3 4.8 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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