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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LAFFITTITE
1
AgHgAsS(3)
Monoclinic * Aa Z = 4
*Aa
1 .10 .1990
Ref.Str.:
Nakai I., Appleman D.E. (1983)
* Amer. Mineral., 68, 235-244
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.732 alpha = 90.0
b = 11.285 beta = 115.16
c = 6.643 gamma = 90.0
Unit cell volume (cub. angs.) = 524.65
Molar volume ( cub.cm/mol.) = 79.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.0221 0.0 2.5 Ag = 1.00
2 0.7891 0.3166 0.0249 2.09 Hg = 1.00
3 0.2874 0.3523 0.0195 1.11 As = 1.00
4 0.4214 0.0089 0.4318 1.19 S = 1.00
5 0.9828 0.2841 0.4697 1.15 S = 1.00
6 0.4369 0.3722 0.3947 1.28 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.0221 0.0
2 2 0.7891 0.3166 0.0249
3 3 0.2874 0.3523 0.0195
4 4 0.4214 0.0089 0.4318
5 5 0.9828 0.2841 0.4697
6 6 0.4369 0.3722 0.3947
7 1 0.75 0.4779 0.5
8 2 0.2891 0.1834 0.5249
9 3 0.7874 0.1477 0.5195
10 4 0.9214 0.4911 0.9318
11 5 0.4828 0.2159 0.9697
12 6 0.9369 0.1278 0.8947
13 1 0.75 0.9779 0.0
14 2 0.2891 0.6834 0.0249
15 3 0.7874 0.6477 0.0195
16 4 0.9214 0.9911 0.4318
17 5 0.4828 0.7159 0.4697
18 6 0.9369 0.6278 0.3947
19 1 0.25 0.5221 0.5
20 2 0.7891 0.8166 0.5249
21 3 0.2874 0.8523 0.5195
22 4 0.4214 0.5089 0.9318
23 5 0.9828 0.7841 0.9697
24 6 0.4369 0.8722 0.8947
X-ray density (g/cm cub.) = 6.07
MU (1/cm) = 1517.224 Mass attenuation coefficient (cm**2/g) = 249.98
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag 3.54 5
2.6027 4
2.8934 5
2.5165 6
3.342 5
2.5097 6
2 Hg 3.528 5
2.7103 5
2.4176 4
2.5092 5
2.7265 6
3.4176 4
3 As 3.012 3
2.2692 6
2.2774 5
2.2471 4
4 S 4.368 11
4.112 6
4.1241 5
4.0429 5
4.0892 6
4.1472 6
3.8712 4
3.8712 4
3.3347 5
4.3021 5
3.3966 6
3.9355 6
5 S 4.368 11
3.8797 6
4.1551 6
4.0429 4
4.1241 4
3.9563 5
3.9563 5
3.4727 6
4.0835 6
3.3347 4
3.9074 6
4.3021 4
6 S 4.368 10
4.112 4
4.1551 5
3.8797 5
4.1472 4
4.0892 4
4.0835 5
3.4727 5
3.9074 5
3.9355 4
3.3966 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 9.121 18.242 0.089 76.66 2 66.2 244.3
2 0 1 1 9.704 19.408 0.094 67.47 4 43.1 182.0
3 1 1 -1 9.733 19.466 0.095 67.06 4 146.5 2090.7
4 1 2 0 11.749 23.498 0.114 45.35 4 130.9 1128.7
5 1 1 1 14.289 28.577 0.138 30.01 4 154.8 1044.4
6 2 1 -1 14.349 28.698 0.139 29.74 4 84.1 305.5
7 2 0 0 14.81 29.62 0.143 27.79 2 476.4 4584.3
8 0 3 1 16.289 32.578 0.157 22.65 4 410.0 5532.3
9 1 3 -1 16.307 32.614 0.157 22.59 4 205.7 1389.6
10 0 0 2 17.309 34.618 0.166 19.85 2 593.9 5086.9
11 2 0 -2 17.377 34.753 0.167 19.68 2 387.2 2144.2
12 2 2 0 17.505 35.009 0.168 19.37 4 73.4 151.5
13 1 2 -2 18.209 36.419 0.175 17.76 4 164.6 699.0
14 0 4 0 18.484 36.968 0.177 17.19 2 37.8 17.9
15 1 3 1 19.477 38.954 0.186 15.31 4 123.5 339.5
16 2 3 -1 19.523 39.046 0.187 15.23 4 554.2 6799.1
17 0 2 2 19.701 39.403 0.188 14.93 4 99.4 214.1
18 2 2 -2 19.762 39.524 0.189 14.82 4 67.1 97.1
19 1 4 0 19.989 39.978 0.191 14.45 4 135.3 384.8
20 2 1 1 20.799 41.597 0.198 13.23 4 104.4 209.6
21 3 1 -1 20.871 41.743 0.199 13.13 4 133.4 339.3
22 1 2 2 23.759 47.517 0.225 9.8 4 105.5 158.6
23 3 2 -2 23.863 47.726 0.226 9.7 4 118.2 197.0
24 2 4 0 24.033 48.065 0.228 9.55 4 38.1 20.1
25 3 2 0 24.513 49.027 0.232 9.13 4 133.4 236.3
26 1 4 -2 24.581 49.162 0.233 9.07 4 111.6 164.3
27 1 1 -3 24.6 49.199 0.233 9.06 4 125.1 206.0
28 2 1 -3 24.638 49.276 0.233 9.02 4 25.0 8.2
29 2 3 1 24.83 49.661 0.235 8.87 4 408.9 2153.8
30 3 3 -1 24.894 49.787 0.235 8.82 4 196.8 496.1
31 0 5 1 25.043 50.087 0.237 8.7 4 115.3 168.0
32 1 5 -1 25.056 50.112 0.237 8.69 4 99.1 124.0
33 0 4 2 25.771 51.543 0.243 8.15 4 51.9 31.9
34 2 4 -2 25.821 51.641 0.243 8.11 4 23.0 6.2
35 0 1 3 26.953 53.907 0.253 7.36 4 59.3 37.6
36 3 1 -3 27.061 54.122 0.254 7.29 4 128.7 175.6
37 1 5 1 27.393 54.787 0.257 7.09 4 119.6 147.3
38 2 5 -1 27.429 54.858 0.257 7.07 4 103.3 109.7
39 2 0 2 27.87 55.74 0.261 6.82 2 449.6 1001.3
40 4 0 -2 28.01 56.02 0.263 6.74 2 465.5 1061.2
41 1 3 -3 28.216 56.433 0.264 6.63 4 189.9 347.5
42 3 1 1 28.243 56.486 0.265 6.61 4 149.6 215.2
43 2 3 -3 28.251 56.502 0.265 6.61 4 460.8 2039.4
44 4 1 -1 28.324 56.648 0.265 6.57 4 97.7 91.1
45 0 6 0 28.396 56.792 0.266 6.53 2 345.9 568.1
46 1 4 2 29.18 58.359 0.273 6.14 4 138.9 172.2
47 3 4 -2 29.27 58.541 0.273 6.1 4 108.8 104.9
48 1 6 0 29.501 59.002 0.275 5.99 4 305.0 810.3
49 2 2 2 29.578 59.157 0.276 5.96 4 106.7 98.7
50 4 2 -2 29.713 59.426 0.277 5.9 4 138.0 163.2
51 3 4 0 29.837 59.673 0.278 5.84 4 107.6 98.3
52 0 3 3 30.376 60.753 0.283 5.62 4 381.8 1189.2
53 3 3 -3 30.476 60.952 0.284 5.57 4 135.1 147.9
54 4 0 0 30.746 61.492 0.286 5.47 2 331.8 437.3
55 1 1 3 31.325 62.65 0.291 5.25 4 79.9 48.7
56 4 1 -3 31.488 62.975 0.292 5.19 4 37.5 10.6
57 3 3 1 31.576 63.152 0.293 5.15 4 165.5 205.1
58 4 3 -1 31.652 63.303 0.293 5.13 4 354.7 937.5
59 2 5 1 31.747 63.495 0.294 5.09 4 160.8 191.5
60 3 5 -1 31.801 63.603 0.295 5.07 4 78.9 45.9
61 4 2 0 32.361 64.722 0.299 4.89 4 148.9 157.4
62 2 0 -4 32.588 65.176 0.301 4.81 2 353.1 436.1
63 2 6 0 32.678 65.355 0.302 4.78 4 286.6 571.0
64 1 6 -2 33.129 66.257 0.306 4.65 4 213.1 306.6
65 0 6 2 34.123 68.245 0.314 4.37 4 288.3 527.3
66 2 2 -4 34.155 68.311 0.314 4.36 4 55.7 19.7
67 2 6 -2 34.164 68.328 0.314 4.35 4 259.0 424.5
68 2 4 2 34.391 68.782 0.316 4.3 4 44.0 12.1
69 1 3 3 34.483 68.967 0.316 4.27 4 88.7 48.8
70 4 4 -2 34.515 69.031 0.317 4.26 4 78.2 37.9
71 4 3 -3 34.638 69.277 0.318 4.23 4 282.2 490.1
72 1 5 -3 34.699 69.398 0.318 4.22 4 52.7 17.0
73 2 5 -3 34.73 69.46 0.318 4.21 4 75.6 34.9
74 0 7 1 35.059 70.119 0.321 4.13 4 19.8 2.3
75 1 7 -1 35.07 70.139 0.321 4.13 4 93.7 52.7
76 1 2 -4 35.115 70.23 0.322 4.12 4 96.5 55.7
77 3 2 -4 35.197 70.394 0.322 4.1 4 69.0 28.3
78 0 0 4 36.516 73.031 0.333 3.81 2 311.4 268.7
79 4 1 1 36.538 73.075 0.333 3.81 4 120.1 79.8
80 5 1 -1 36.628 73.257 0.334 3.79 4 85.8 40.5
81 0 5 3 36.644 73.289 0.334 3.79 4 58.1 18.6
82 4 0 -4 36.677 73.354 0.334 3.78 2 424.3 494.6
83 3 2 2 36.73 73.461 0.334 3.77 4 63.1 21.8
84 3 5 -3 36.735 73.47 0.334 3.77 4 99.2 53.9
85 5 2 -2 36.891 73.783 0.336 3.74 4 63.3 21.8
86 4 4 0 36.982 73.964 0.336 3.72 4 81.7 36.1
87 1 7 1 37.017 74.034 0.337 3.72 4 92.0 45.7
88 2 7 -1 37.047 74.094 0.337 3.71 4 54.3 15.9
89 1 6 2 37.07 74.139 0.337 3.71 4 275.2 408.0
90 3 6 -2 37.15 74.3 0.338 3.69 4 209.8 236.2
91 2 1 3 37.334 74.668 0.339 3.66 4 105.6 59.3
92 5 1 -3 37.544 75.088 0.341 3.62 4 91.4 44.0
93 3 6 0 37.653 75.307 0.341 3.6 4 151.7 120.6
94 3 5 1 37.744 75.487 0.342 3.59 4 42.5 9.4
95 4 5 -1 37.813 75.627 0.343 3.58 4 75.4 29.6
96 0 2 4 38.01 76.02 0.344 3.54 4 103.4 55.1
97 4 2 -4 38.169 76.338 0.345 3.52 4 79.7 32.5
98 2 4 -4 38.681 77.362 0.349 3.44 4 50.7 12.9
99 0 8 0 39.352 78.705 0.354 3.34 2 50.8 6.3
100 4 3 1 39.506 79.012 0.356 3.32 4 324.3 507.2
101 5 3 -1 39.595 79.189 0.356 3.31 4 62.1 18.5
102 1 4 -4 39.597 79.194 0.356 3.31 4 79.3 30.2
103 3 4 -4 39.676 79.352 0.357 3.3 4 92.1 40.7
104 2 3 3 40.283 80.567 0.361 3.22 4 237.2 263.4
105 1 8 0 40.304 80.608 0.362 3.22 4 54.6 14.0
106 1 5 3 40.458 80.916 0.363 3.2 4 75.1 26.2
107 5 3 -3 40.489 80.977 0.363 3.2 4 86.8 35.0
108 4 5 -3 40.605 81.209 0.364 3.18 4 90.3 37.7
109 2 7 1 40.839 81.679 0.366 3.16 4 55.3 14.0
110 3 7 -1 40.888 81.776 0.366 3.15 4 104.6 50.1
111 3 4 2 41.153 82.305 0.368 3.12 4 91.4 37.9
112 5 2 0 41.179 82.358 0.368 3.12 4 75.3 25.7
113 5 4 -2 41.308 82.617 0.369 3.11 4 124.0 69.4
114 2 6 2 41.824 83.649 0.373 3.05 4 254.1 286.7
115 4 6 -2 41.941 83.882 0.374 3.04 4 225.8 225.5
116 0 4 4 42.395 84.79 0.377 3.0 4 72.9 23.2
117 4 4 -4 42.55 85.1 0.378 2.99 4 63.0 17.2
118 1 2 4 42.718 85.435 0.379 2.98 4 98.9 42.3
119 2 1 -5 42.89 85.779 0.38 2.96 4 34.8 5.2
120 3 1 -5 42.938 85.876 0.381 2.96 4 84.9 31.0
121 5 2 -4 42.95 85.9 0.381 2.96 4 87.0 32.5
122 2 8 0 43.131 86.263 0.382 2.94 4 108.5 50.4
123 1 8 -2 43.543 87.087 0.385 2.91 4 50.1 10.6
124 1 7 -3 43.558 87.115 0.385 2.91 4 84.3 30.1
125 2 7 -3 43.587 87.173 0.385 2.91 4 53.1 11.9
126 4 0 2 43.809 87.617 0.387 2.9 2 214.5 96.9
127 6 0 -2 44.002 88.004 0.388 2.88 2 296.2 183.9
128 4 6 0 44.285 88.57 0.39 2.87 4 183.6 140.5
129 0 8 2 44.461 88.921 0.392 2.86 4 105.3 46.0
130 2 8 -2 44.499 88.998 0.392 2.85 4 134.9 75.5
131 1 1 -5 44.715 89.43 0.393 2.84 4 116.2 55.8
132 4 1 -5 44.86 89.72 0.394 2.84 4 49.3 10.0
133 3 1 3 44.883 89.767 0.394 2.83 4 126.4 65.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 0 2 0 9.121 18.242 5.6425 244.3 3.5 3.6 5.6
2 0 1 1 9.704 19.408 5.30651 182.0 2.6 2.7 5.6
3 1 1 -1 9.733 19.466 5.29085 2090.7 30.2 30.5 5.6
4 1 2 0 11.749 23.498 4.39262 1128.7 16.3 16.4 5.6
5 1 1 1 14.289 28.577 3.62412 1044.4 15.1 15.1 5.6
6 2 1 -1 14.349 28.698 3.60918 305.5 4.4 4.4 5.6
7 2 0 0 14.81 29.62 3.49921 4584.3 66.2 66.4 5.6
8 0 3 1 16.289 32.578 3.189 6921.9 100.0 100.0 5.6
9 0 0 2 17.309 34.618 3.00637 5086.9 73.5 73.4 5.7
10 2 0 -2 17.377 34.753 2.99499 2144.2 31.0 30.9 5.7
11 2 2 0 17.505 35.009 2.97378 151.5 2.2 2.2 5.7
12 1 2 -2 18.209 36.419 2.86236 699.0 10.1 10.1 5.7
13 1 3 1 19.477 38.954 2.68264 339.5 4.9 4.9 5.7
14 2 3 -1 19.523 39.046 2.67656 6799.1 98.2 97.6 5.7
15 0 2 2 19.701 39.403 2.65326 214.1 3.1 3.1 5.7
16 2 2 -2 19.762 39.524 2.64543 97.1 1.4 1.4 5.7
17 1 4 0 19.989 39.978 2.61663 384.8 5.6 5.5 5.7
18 2 1 1 20.799 41.597 2.519 209.6 3.0 3.0 5.7
19 3 1 -1 20.871 41.743 2.51062 339.3 4.9 4.9 5.7
20 1 2 2 23.759 47.517 2.22013 158.6 2.3 2.3 5.7
21 3 2 -2 23.863 47.726 2.21097 197.0 2.8 2.8 5.7
22 3 2 0 24.513 49.027 2.15582 236.3 3.4 3.4 5.7
23 1 1 -3 24.6 49.199 2.14872 370.4 5.4 5.3 5.7
24 2 3 1 24.83 49.661 2.13 2153.8 31.1 30.6 5.7
25 3 3 -1 24.894 49.787 2.12493 496.1 7.2 7.0 5.7
26 0 5 1 25.043 50.087 2.11304 292.0 4.2 4.1 5.7
27 3 1 -3 27.061 54.122 1.96612 175.6 2.5 2.5 5.8
28 1 5 1 27.393 54.787 1.94407 147.3 2.1 2.1 5.8
29 2 5 -1 27.429 54.858 1.94175 109.7 1.6 1.5 5.8
30 2 0 2 27.87 55.74 1.91342 1001.3 14.5 14.1 5.8
31 4 0 -2 28.01 56.02 1.90463 1061.2 15.3 14.9 5.8
32 1 3 -3 28.216 56.433 1.89182 562.8 8.1 7.9 5.8
33 2 3 -3 28.251 56.502 1.88968 2039.4 29.5 28.7 5.8
34 4 1 -1 28.324 56.648 1.88524 91.1 1.3 1.3 5.8
35 0 6 0 28.396 56.792 1.88083 568.1 8.2 8.0 5.8
36 1 4 2 29.18 58.359 1.8346 172.2 2.5 2.4 5.8
37 3 4 -2 29.27 58.541 1.82942 104.9 1.5 1.5 5.8
38 1 6 0 29.501 59.002 1.81638 810.3 11.7 11.4 5.8
39 2 2 2 29.578 59.157 1.81206 98.7 1.4 1.4 5.8
40 4 2 -2 29.713 59.426 1.80459 163.2 2.4 2.3 5.8
41 3 4 0 29.837 59.673 1.79781 98.3 1.4 1.4 5.8
42 0 3 3 30.376 60.753 1.76884 1189.2 17.2 16.6 5.8
43 3 3 -3 30.476 60.952 1.76362 147.9 2.1 2.1 5.8
44 4 0 0 30.746 61.492 1.7496 437.3 6.3 6.1 5.8
45 3 3 1 31.576 63.152 1.7082 205.1 3.0 2.9 5.9
46 4 3 -1 31.652 63.303 1.70454 937.5 13.5 13.1 5.9
47 2 5 1 31.747 63.495 1.69993 191.5 2.8 2.7 5.9
48 4 2 0 32.361 64.722 1.67111 157.4 2.3 2.2 5.9
49 2 0 -4 32.588 65.176 1.66073 436.1 6.3 6.1 5.9
50 2 6 0 32.678 65.355 1.65668 571.0 8.2 7.9 5.9
51 1 6 -2 33.129 66.257 1.63665 306.6 4.4 4.3 5.9
52 0 6 2 34.123 68.245 1.5945 527.3 7.6 7.3 5.9
53 2 6 -2 34.164 68.328 1.5928 444.2 6.4 6.1 5.9
54 4 3 -3 34.638 69.277 1.57366 490.1 7.1 6.8 5.9
55 0 0 4 36.516 73.031 1.50318 348.5 5.0 4.8 6.0
56 4 0 -4 36.677 73.354 1.4975 494.6 7.1 6.8 6.0
57 3 5 -3 36.735 73.47 1.49546 75.7 1.1 1.0 6.0
58 1 6 2 37.07 74.139 1.48388 423.9 6.1 5.8 6.0
59 3 6 -2 37.15 74.3 1.48113 236.2 3.4 3.2 6.0
60 3 6 0 37.653 75.307 1.46421 120.6 1.7 1.6 6.0
61 4 3 1 39.506 79.012 1.40603 507.2 7.3 6.9 6.0
62 2 3 3 40.283 80.567 1.3834 277.3 4.0 3.7 6.1
63 5 4 -2 41.308 82.617 1.35501 69.4 1.0 0.9 6.1
64 2 6 2 41.824 83.649 1.34132 286.7 4.1 3.8 6.1
65 4 6 -2 41.941 83.882 1.33828 225.5 3.3 3.0 6.1
66 4 0 2 43.809 87.617 1.2921 96.9 1.4 1.3 6.2
67 6 0 -2 44.002 88.004 1.28758 183.9 2.7 2.4 6.2
68 4 6 0 44.285 88.57 1.28104 140.5 2.0 1.9 6.2
69 2 8 -2 44.499 88.998 1.27616 75.5 1.1 1.0 6.2
70 3 1 3 44.883 89.767 1.26754 75.9 1.1 1.0 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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