Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
CALAVERITE
1, f-calaverite
AuTe(2)
Monoclinic P c Z = 4
R =0.083 NR =577
7 .3 .1990
Ref.Str.:
F.Pertlik (1984)
* Z. Kristallogr., 169, 227-236
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.76 alpha = 90.0
b = 4.41 beta = 125.2
c = 10.15 gamma = 90.0
Unit cell volume (cub. angs.) = 320.41
Molar volume ( cub.cm/mol.) = 48.25
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7483 0.4938 0.1243 0.0 Au = 1.00
2 0.264 0.9941 0.8731 0.0 Au = 1.00
3 0.9351 0.9862 0.5728 0.0 Te = 1.00
4 0.5585 0.052 0.6747 0.0 Te = 1.00
5 0.0575 0.4464 0.4209 0.0 Te = 1.00
6 0.4363 0.5585 0.3235 0.0 Te = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7483 0.4938 0.1243
2 2 0.264 0.9941 0.8731
3 3 0.9351 0.9862 0.5728
4 4 0.5585 0.052 0.6747
5 5 0.0575 0.4464 0.4209
6 6 0.4363 0.5585 0.3235
7 1 0.7483 0.5062 0.6243
8 2 0.264 0.0059 0.3731
9 3 0.9351 0.0138 0.0728
10 4 0.5585 0.948 0.1747
11 5 0.0575 0.5536 0.9209
12 6 0.4363 0.4415 0.8235
X-ray density (g/cm cub.) = 9.37
MU (1/cm) = 2340.4 Mass attenuation coefficient (cm**2/g) = 249.765
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Au 4.176 6
2.6538 5
3.0325 3
2.9014 3
2.8317 4
3.1305 4
2.6879 6
2 Au 4.176 7
2.7329 3
4.0945 4
2.6388 4
3.2569 5
2.8798 5
2.7019 6
3.0572 6
3 Te 5.064 13
4.41 3
4.41 3
4.9462 4
3.9964 4
3.0905 5
3.3316 5
4.3725 6
4.0381 6
3.4455 4
3.9404 5
3.5924 5
4.1114 6
4.3176 6
4 Te 5.064 13
3.9964 3
4.9462 3
4.41 4
4.41 4
3.986 5
4.4717 5
3.8004 6
3.767 6
3.4455 3
4.2015 5
4.1941 5
2.8708 6
3.5411 6
5 Te 5.064 13
3.3316 3
3.0905 3
4.4717 4
3.986 4
4.41 5
4.41 5
4.0018 6
4.9631 6
3.9404 3
3.5924 3
4.2015 4
4.1941 4
3.4753 6
6 Te 5.064 13
4.0381 3
4.3725 3
3.767 4
3.8004 4
4.9631 5
4.0018 5
4.41 6
4.41 6
4.1114 3
4.3176 3
2.8708 4
3.5411 4
3.4753 5
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 0 6.177 12.355 0.07 169.75 2 14.4 68.3
2 1 0 -2 8.73 17.46 0.099 83.88 2 188.8 5827.3
3 0 1 0 10.059 20.119 0.113 62.64 2 6.2 4.7
4 0 0 2 10.704 21.409 0.121 55.07 2 5.9 3.7
5 2 0 -2 10.741 21.482 0.121 54.68 2 25.3 68.0
6 0 1 1 11.41 22.819 0.128 48.22 4 35.4 235.7
7 1 1 -1 11.418 22.836 0.129 48.14 4 79.1 1173.7
8 1 1 0 11.838 23.677 0.133 44.64 4 139.6 3391.3
9 2 0 0 12.428 24.856 0.14 40.31 2 31.7 78.8
10 1 1 -2 13.379 26.759 0.15 34.5 4 21.8 63.7
11 1 1 1 14.446 28.892 0.162 29.31 4 59.5 404.9
12 2 1 -1 14.467 28.933 0.162 29.22 4 8.7 8.6
13 0 1 2 14.772 29.543 0.166 27.95 4 10.0 10.9
14 2 1 -2 14.799 29.597 0.166 27.84 4 586.4 37293.2
15 1 0 2 15.243 30.486 0.171 26.13 2 550.3 15416.8
16 3 0 -2 15.295 30.591 0.171 25.94 2 89.2 401.6
17 2 1 0 16.092 32.183 0.18 23.25 4 29.2 77.2
18 1 1 -3 16.966 33.932 0.189 20.73 4 39.7 127.6
19 2 1 -3 16.984 33.968 0.19 20.68 4 14.1 16.0
20 2 0 -4 17.672 35.343 0.197 18.97 2 52.5 101.8
21 1 1 2 18.4 36.799 0.205 17.36 4 16.8 19.1
22 3 1 -2 18.444 36.888 0.205 17.27 4 36.1 87.6
23 1 0 -4 18.766 37.533 0.209 16.62 2 11.8 4.5
24 3 0 -4 18.81 37.62 0.209 16.54 2 41.8 56.4
25 3 0 0 18.834 37.668 0.21 16.49 2 35.7 41.0
26 0 1 3 19.198 38.397 0.213 15.81 4 49.4 150.6
27 2 1 1 19.231 38.463 0.214 15.75 4 70.4 304.4
28 3 1 -3 19.246 38.493 0.214 15.72 4 73.5 330.7
29 3 1 -1 19.258 38.516 0.214 15.7 4 25.7 40.5
30 0 2 0 20.447 40.893 0.227 13.74 2 501.6 6735.4
31 2 1 -4 20.501 41.002 0.227 13.66 4 30.5 49.6
32 2 0 2 20.869 41.739 0.231 13.13 2 23.9 14.6
33 4 0 -2 20.929 41.858 0.232 13.04 2 50.6 65.1
34 0 2 1 21.19 42.381 0.235 12.69 4 13.2 8.6
35 1 2 -1 21.195 42.391 0.235 12.68 4 133.1 875.4
36 1 2 0 21.44 42.881 0.237 12.36 4 10.3 5.1
37 1 1 -4 21.473 42.946 0.238 12.32 4 463.5 10310.1
38 3 1 -4 21.512 43.025 0.238 12.27 4 204.6 1999.7
39 3 1 0 21.534 43.067 0.238 12.24 4 504.4 12131.0
40 0 0 4 21.807 43.615 0.241 11.9 2 332.8 2566.9
41 4 0 -4 21.884 43.769 0.242 11.8 2 525.0 6335.8
42 1 2 -2 22.388 44.777 0.247 11.21 4 172.8 1304.2
43 1 2 1 23.087 46.173 0.255 10.46 4 57.5 134.6
44 2 2 -1 23.1 46.201 0.255 10.45 4 69.4 196.2
45 1 1 3 23.128 46.256 0.255 10.42 4 8.7 3.1
46 4 1 -3 23.197 46.394 0.256 10.35 4 44.9 81.4
47 0 2 2 23.306 46.612 0.257 10.24 4 15.2 9.3
48 2 2 -2 23.324 46.649 0.257 10.22 4 25.6 26.1
49 2 1 2 23.375 46.751 0.258 10.17 4 279.4 3093.2
50 4 1 -2 23.43 46.86 0.258 10.12 4 67.2 177.8
51 2 2 0 24.224 48.448 0.266 9.38 4 57.7 121.7
52 0 1 4 24.236 48.473 0.266 9.37 4 8.5 2.6
53 4 1 -4 24.307 48.615 0.267 9.31 4 40.1 58.3
54 1 2 -3 24.855 49.711 0.273 8.85 4 102.5 362.3
55 2 2 -3 24.868 49.737 0.273 8.84 4 36.6 46.2
56 2 1 -5 24.898 49.795 0.273 8.81 4 58.9 119.0
57 3 1 -5 24.92 49.839 0.274 8.79 4 58.1 115.8
58 3 1 1 24.948 49.896 0.274 8.77 4 30.5 31.8
59 4 1 -1 24.979 49.957 0.274 8.75 4 57.3 111.9
60 4 0 0 25.495 50.99 0.279 8.35 2 229.0 853.2
61 1 2 2 25.926 51.853 0.284 8.04 4 426.1 5685.2
62 3 2 -2 25.96 51.92 0.284 8.01 4 98.2 300.9
63 1 0 4 26.254 52.507 0.287 7.81 2 2.0 0.1
64 5 0 -4 26.354 52.708 0.288 7.74 2 60.3 54.8
65 0 2 3 26.541 53.081 0.29 7.62 4 115.1 393.1
66 2 2 1 26.566 53.133 0.29 7.6 4 96.7 277.1
67 1 1 -5 26.573 53.146 0.29 7.6 4 43.6 56.2
68 3 2 -3 26.578 53.156 0.29 7.59 4 112.0 371.1
69 3 2 -1 26.587 53.175 0.291 7.59 4 81.7 197.4
70 4 1 -5 26.635 53.27 0.291 7.56 4 11.3 3.8
71 3 0 -6 27.087 54.174 0.296 7.27 2 405.3 2327.6
72 3 0 2 27.123 54.246 0.296 7.25 2 79.1 88.5
73 5 0 -2 27.188 54.377 0.297 7.21 2 483.2 3279.7
74 2 2 -4 27.568 55.136 0.3 6.99 4 17.1 7.9
75 4 1 0 27.679 55.359 0.302 6.92 4 39.5 42.0
76 2 0 -6 27.873 55.746 0.303 6.82 2 25.0 8.3
77 4 0 -6 27.921 55.842 0.304 6.79 2 54.8 39.7
78 2 1 3 28.219 56.438 0.307 6.63 4 53.2 73.0
79 5 1 -3 28.303 56.606 0.308 6.58 4 37.1 35.2
80 1 2 -4 28.353 56.706 0.308 6.56 4 16.9 7.3
81 3 2 -4 28.385 56.769 0.309 6.54 4 52.3 69.6
82 1 1 4 28.397 56.794 0.309 6.53 4 57.5 84.1
83 3 2 0 28.402 56.804 0.309 6.53 4 39.3 39.3
84 5 1 -4 28.492 56.985 0.31 6.48 4 62.9 100.0
85 3 1 -6 29.189 58.378 0.317 6.14 4 27.6 18.2
86 3 1 2 29.223 58.447 0.317 6.12 4 29.2 20.3
87 5 1 -2 29.286 58.571 0.318 6.09 4 50.5 60.6
88 1 2 3 29.722 59.443 0.322 5.9 4 66.7 102.1
89 0 1 5 29.744 59.488 0.322 5.89 4 48.4 53.6
90 4 2 -3 29.78 59.559 0.322 5.87 4 23.7 12.9
91 5 1 -5 29.84 59.681 0.323 5.84 4 51.8 61.2
92 2 2 2 29.93 59.859 0.324 5.8 4 5.3 0.6
93 2 1 -6 29.939 59.878 0.324 5.8 4 326.1 2402.7
94 4 2 -2 29.976 59.952 0.324 5.78 4 59.3 79.3
95 4 1 -6 29.985 59.97 0.324 5.78 4 62.9 89.1
96 1 0 -6 30.195 60.39 0.326 5.69 2 65.5 47.6
97 5 0 -6 30.287 60.574 0.327 5.65 2 213.5 501.9
98 0 2 4 30.66 61.319 0.331 5.5 4 278.6 1663.5
99 4 2 -4 30.72 61.441 0.332 5.48 4 417.2 3713.0
100 2 2 -5 31.227 62.454 0.337 5.28 4 66.9 92.0
101 3 2 -5 31.246 62.491 0.337 5.27 4 68.1 95.3
102 3 2 1 31.27 62.54 0.337 5.27 4 15.8 5.2
103 4 2 -1 31.296 62.593 0.337 5.26 4 113.7 264.9
104 4 1 1 31.338 62.676 0.338 5.24 4 44.0 39.5
105 5 1 -1 31.372 62.744 0.338 5.23 4 15.1 4.6
106 0 3 0 31.601 63.202 0.34 5.15 2 36.6 13.4
107 2 0 4 31.724 63.448 0.341 5.1 2 321.7 1028.3
108 6 0 -4 31.843 63.685 0.342 5.06 2 82.0 66.4
109 0 3 1 32.152 64.304 0.345 4.95 4 61.4 72.7
110 1 3 -1 32.156 64.311 0.345 4.95 4 150.8 438.9
111 1 1 -6 32.169 64.337 0.346 4.95 4 23.1 10.3
112 5 1 -6 32.257 64.515 0.346 4.92 4 59.7 68.3
113 1 3 0 32.34 64.679 0.347 4.89 4 139.5 370.8
114 5 0 0 32.55 65.101 0.349 4.82 2 49.6 23.2
115 1 2 -5 32.686 65.372 0.351 4.78 4 27.0 13.6
116 4 2 -5 32.741 65.481 0.351 4.76 4 33.6 21.0
117 1 3 -2 33.062 66.123 0.354 4.67 4 44.6 36.1
118 1 3 1 33.604 67.207 0.359 4.51 4 110.3 213.8
119 2 3 -1 33.615 67.229 0.359 4.51 4 17.7 5.5
120 2 1 4 33.647 67.294 0.36 4.5 4 23.4 9.6
121 4 2 0 33.666 67.332 0.36 4.49 4 201.2 708.3
122 6 1 -4 33.762 67.525 0.361 4.46 4 68.3 81.1
123 0 3 2 33.776 67.552 0.361 4.46 4 67.5 79.1
124 2 3 -2 33.79 67.581 0.361 4.46 4 360.2 2252.2
125 0 0 6 33.864 67.729 0.362 4.44 2 10.9 1.0
126 4 0 2 33.954 67.907 0.363 4.41 2 38.0 12.4
127 6 0 -6 33.994 67.988 0.363 4.4 2 54.8 25.8
128 6 0 -2 34.025 68.051 0.363 4.39 2 60.6 31.4
129 2 2 3 34.149 68.298 0.364 4.36 4 83.4 118.3
130 1 1 5 34.162 68.324 0.365 4.36 4 14.3 3.5
131 3 1 -7 34.167 68.335 0.365 4.35 4 20.4 7.0
132 4 1 -7 34.192 68.385 0.365 4.35 4 26.5 11.9
133 3 1 3 34.207 68.413 0.365 4.34 4 41.5 29.1
134 5 2 -3 34.224 68.448 0.365 4.34 4 28.4 13.6
135 6 1 -5 34.287 68.575 0.366 4.32 4 17.7 5.3
136 6 1 -3 34.303 68.606 0.366 4.32 4 57.7 56.1
137 1 2 4 34.309 68.617 0.366 4.32 4 17.2 5.0
138 5 2 -4 34.394 68.789 0.367 4.29 4 46.2 35.7
139 5 1 0 34.45 68.899 0.367 4.28 4 74.8 93.3
140 2 3 0 34.505 69.01 0.368 4.27 4 49.5 40.7
141 1 3 -3 35.014 70.028 0.372 4.14 4 77.2 96.3
142 3 2 -6 35.023 70.046 0.373 4.14 4 334.1 1799.8
143 2 3 -3 35.025 70.049 0.373 4.14 4 27.9 12.5
144 3 2 2 35.054 70.108 0.373 4.13 4 41.7 27.9
145 5 2 -2 35.111 70.222 0.373 4.12 4 391.8 2463.7
146 0 2 5 35.527 71.054 0.377 4.02 4 89.6 125.7
147 2 1 -7 35.557 71.114 0.377 4.02 4 46.3 33.6
148 5 2 -5 35.615 71.23 0.378 4.0 4 110.1 189.1
149 5 1 -7 35.631 71.262 0.378 4.0 4 37.5 21.9
150 2 2 -6 35.705 71.41 0.379 3.98 4 34.1 18.1
151 0 1 6 35.73 71.46 0.379 3.98 4 269.6 1126.1
152 4 2 -6 35.747 71.494 0.379 3.97 4 48.0 35.6
153 4 1 2 35.817 71.634 0.38 3.96 4 326.2 1641.3
154 6 1 -6 35.856 71.712 0.38 3.95 4 402.2 2489.3
155 6 1 -2 35.887 71.774 0.381 3.94 4 160.6 396.3
156 1 3 2 35.892 71.784 0.381 3.94 4 39.6 24.1
157 3 3 -2 35.92 71.84 0.381 3.94 4 22.2 7.6
158 0 3 3 36.403 72.807 0.385 3.84 4 103.6 160.4
159 2 3 1 36.425 72.85 0.385 3.83 4 142.4 302.9
160 3 3 -3 36.435 72.869 0.386 3.83 4 149.9 335.1
161 3 3 -1 36.442 72.885 0.386 3.83 4 51.9 40.1
162 4 2 1 36.99 73.98 0.391 3.72 4 87.4 110.7
163 5 2 -1 37.021 74.043 0.391 3.72 4 37.0 19.8
164 2 3 -4 37.27 74.541 0.393 3.67 4 32.2 14.9
165 4 0 -8 37.382 74.763 0.394 3.65 2 327.5 762.5
166 1 2 -6 37.761 75.521 0.397 3.58 4 16.9 4.0
167 5 2 -6 37.843 75.686 0.398 3.57 4 194.5 526.4
168 1 3 -4 37.943 75.886 0.399 3.55 4 308.1 1313.9
169 3 3 -4 37.97 75.941 0.399 3.55 4 176.1 428.9
170 3 3 0 37.985 75.971 0.4 3.55 4 329.6 1500.6
171 3 0 -8 38.04 76.079 0.4 3.54 2 43.7 13.1
172 3 0 4 38.085 76.17 0.4 3.53 2 30.3 6.3
173 5 0 -8 38.095 76.189 0.4 3.53 2 45.0 13.9
174 7 0 -4 38.222 76.444 0.402 3.51 2 62.1 26.4
175 1 1 -7 38.297 76.593 0.402 3.5 4 28.8 11.3
176 6 1 -7 38.416 76.833 0.403 3.48 4 23.0 7.2
177 5 1 1 38.424 76.848 0.403 3.48 4 26.4 9.5
178 6 1 -1 38.461 76.923 0.404 3.47 4 44.5 26.8
179 1 0 6 38.717 77.434 0.406 3.43 2 378.3 956.3
180 7 0 -6 38.88 77.761 0.407 3.41 2 67.2 30.0
181 1 3 3 39.135 78.27 0.41 3.37 4 22.3 6.5
182 2 2 4 39.145 78.291 0.41 3.37 4 275.4 995.7
183 4 1 -8 39.179 78.358 0.41 3.36 4 41.7 22.8
184 4 3 -3 39.186 78.372 0.41 3.36 4 89.2 104.2
185 6 2 -4 39.254 78.508 0.411 3.35 4 95.3 118.6
186 2 3 2 39.318 78.636 0.411 3.34 4 210.6 578.0
187 4 3 -2 39.359 78.718 0.412 3.34 4 101.3 133.6
188 1 2 5 39.632 79.263 0.414 3.3 4 63.8 52.4
189 3 2 -7 39.636 79.273 0.414 3.3 4 78.7 79.6
190 4 2 -7 39.66 79.32 0.414 3.3 4 84.5 91.8
191 3 2 3 39.673 79.347 0.414 3.3 4 38.2 18.8
192 2 1 5 39.679 79.359 0.414 3.3 4 30.2 11.7
193 6 2 -5 39.75 79.5 0.415 3.29 4 77.1 76.2
194 6 2 -3 39.765 79.53 0.415 3.28 4 96.4 118.9
195 3 1 -8 39.828 79.656 0.416 3.28 4 52.0 34.5
196 7 1 -5 39.832 79.663 0.416 3.28 4 8.5 0.9
197 3 1 4 39.872 79.745 0.416 3.27 4 338.8 1463.0
198 5 1 -8 39.882 79.764 0.416 3.27 4 304.2 1179.1
199 5 2 0 39.904 79.807 0.416 3.27 4 55.4 39.1
200 0 3 4 39.965 79.93 0.417 3.26 4 31.0 12.2
201 7 1 -4 40.008 80.015 0.417 3.25 4 396.5 1993.3
202 4 3 -4 40.019 80.039 0.417 3.25 4 35.9 16.4
203 2 0 -8 40.047 80.094 0.418 3.25 2 224.2 318.2
204 6 0 -8 40.155 80.31 0.419 3.24 2 88.7 49.6
205 6 0 0 40.214 80.429 0.419 3.23 2 334.8 705.1
206 2 3 -5 40.472 80.945 0.421 3.2 4 123.5 190.0
207 3 3 -5 40.489 80.979 0.421 3.2 4 118.4 174.5
208 1 1 6 40.496 80.993 0.422 3.19 4 8.7 0.9
209 3 3 1 40.512 81.023 0.422 3.19 4 63.9 50.8
210 4 3 -1 40.535 81.07 0.422 3.19 4 123.0 188.1
211 7 1 -6 40.658 81.316 0.423 3.18 4 69.0 58.8
212 2 2 -7 40.958 81.916 0.425 3.14 4 78.5 75.4
213 5 2 -7 41.028 82.057 0.426 3.14 4 91.3 101.9
214 4 1 3 41.072 82.145 0.426 3.13 4 47.1 27.1
215 0 2 6 41.123 82.246 0.427 3.12 4 16.5 3.3
216 7 1 -3 41.183 82.366 0.427 3.12 4 12.5 1.9
217 4 2 2 41.206 82.412 0.428 3.12 4 46.0 25.7
218 6 2 -6 41.244 82.488 0.428 3.11 4 43.3 22.7
219 6 2 -2 41.273 82.547 0.428 3.11 4 43.6 23.1
220 5 0 2 41.508 83.016 0.43 3.09 2 308.0 570.2
221 7 0 -2 41.588 83.177 0.431 3.08 2 84.7 43.0
222 1 3 -5 41.795 83.59 0.433 3.06 4 91.4 99.5
223 2 1 -8 41.813 83.626 0.433 3.06 4 20.8 5.2
224 4 3 -5 41.845 83.69 0.433 3.05 4 20.1 4.8
225 6 1 -8 41.92 83.841 0.434 3.05 4 66.9 53.1
226 6 1 0 41.979 83.958 0.434 3.04 4 53.5 33.9
227 0 1 7 42.311 84.622 0.437 3.01 4 52.8 32.6
228 7 1 -7 42.475 84.95 0.438 3.0 4 52.3 31.9
229 4 3 0 42.697 85.394 0.44 2.98 4 10.6 1.3
230 2 3 3 43.145 86.29 0.444 2.94 4 109.9 138.5
231 5 3 -3 43.215 86.43 0.444 2.94 4 73.9 62.4
232 5 1 2 43.264 86.527 0.445 2.93 4 41.9 20.1
233 1 3 4 43.294 86.588 0.445 2.93 4 35.1 14.1
234 7 1 -2 43.344 86.687 0.446 2.93 4 66.6 50.6
235 1 0 -8 43.361 86.723 0.446 2.93 2 9.3 0.5
236 5 3 -4 43.374 86.748 0.446 2.93 4 81.2 75.2
237 7 0 -8 43.521 87.043 0.447 2.92 2 67.2 25.6
238 1 2 -7 43.601 87.202 0.448 2.91 4 17.9 3.6
239 6 2 -7 43.718 87.436 0.449 2.9 4 6.5 0.5
240 5 2 1 43.725 87.45 0.449 2.9 4 77.4 67.7
241 6 2 -1 43.762 87.523 0.449 2.9 4 65.9 49.0
242 3 3 -6 43.963 87.927 0.451 2.89 4 20.4 4.7
243 3 3 2 43.993 87.985 0.451 2.88 4 45.3 23.1
244 5 3 -2 44.046 88.092 0.451 2.88 4 52.0 30.4
245 0 4 0 44.32 88.64 0.454 2.87 2 263.7 388.0
246 0 3 5 44.439 88.877 0.454 2.86 4 100.9 113.3
247 4 2 -8 44.463 88.926 0.455 2.86 4 279.9 872.0
248 5 3 -5 44.522 89.044 0.455 2.85 4 113.1 142.3
249 2 3 -6 44.607 89.214 0.456 2.85 4 240.1 640.1
250 4 3 -6 44.647 89.294 0.456 2.85 4 43.2 20.7
251 2 0 6 44.718 89.436 0.457 2.84 2 10.5 0.6
252 0 4 1 44.814 89.629 0.458 2.84 4 16.8 3.1
253 1 4 -1 44.818 89.635 0.458 2.84 4 156.7 271.6
254 8 0 -6 44.918 89.836 0.458 2.83 2 75.3 31.3
255 2 2 5 44.954 89.908 0.459 2.83 4 91.8 93.0
256 4 1 -9 44.98 89.959 0.459 2.83 4 39.4 17.1
257 1 4 0 44.984 89.967 0.459 2.83 4 39.2 17.0
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 0 -2 8.73 17.46 5.07497 5827.3 15.6 15.8 5.6
2 1 1 -1 11.418 22.836 3.89091 1409.4 3.8 3.8 5.6
3 1 1 0 11.838 23.677 3.75465 3391.3 9.1 9.1 5.6
4 1 1 1 14.446 28.892 3.08768 413.5 1.1 1.1 5.6
5 2 1 -2 14.799 29.597 3.01569 37304.1 100.0 100.0 5.6
6 1 0 2 15.243 30.486 2.92979 15416.8 41.3 41.3 5.6
7 3 0 -2 15.295 30.591 2.92 401.6 1.1 1.1 5.6
8 3 1 -3 19.246 38.493 2.33678 675.6 1.8 1.8 5.7
9 0 2 0 20.447 40.893 2.205 6735.4 18.1 17.9 5.7
10 1 2 -1 21.195 42.391 2.1305 884.0 2.4 2.3 5.7
11 1 1 -4 21.473 42.946 2.10421 10310.1 27.6 27.3 5.7
12 3 1 0 21.534 43.067 2.09858 14130.7 37.9 37.4 5.7
13 0 0 4 21.807 43.615 2.07351 2566.9 6.9 6.8 5.7
14 4 0 -4 21.884 43.769 2.06656 6335.8 17.0 16.8 5.7
15 1 2 -2 22.388 44.777 2.02236 1304.2 3.5 3.4 5.7
16 2 1 2 23.375 46.751 1.94146 3093.2 8.3 8.2 5.7
17 1 2 -3 24.855 49.711 1.83257 408.5 1.1 1.1 5.7
18 4 0 0 25.495 50.99 1.78955 853.2 2.3 2.2 5.8
19 1 2 2 25.926 51.853 1.76179 5685.2 15.2 14.9 5.8
20 0 2 3 26.541 53.081 1.72386 670.2 1.8 1.8 5.8
21 3 2 -1 26.587 53.175 1.72106 624.8 1.7 1.6 5.8
22 3 0 -6 27.087 54.174 1.69166 2327.6 6.2 6.1 5.8
23 5 0 -2 27.188 54.377 1.68582 3279.7 8.8 8.6 5.8
24 2 1 -6 29.939 59.878 1.54342 2402.7 6.4 6.2 5.8
25 5 0 -6 30.287 60.574 1.52733 501.9 1.3 1.3 5.8
26 0 2 4 30.66 61.319 1.51054 1663.5 4.5 4.3 5.8
27 4 2 -4 30.72 61.441 1.50785 3713.0 10.0 9.6 5.8
28 2 0 4 31.724 63.448 1.4649 1028.3 2.8 2.7 5.9
29 1 3 -1 32.156 64.311 1.44729 521.9 1.4 1.3 5.9
30 4 2 0 33.666 67.332 1.38951 717.9 1.9 1.8 5.9
31 2 3 -2 33.79 67.581 1.38501 2412.4 6.5 6.2 5.9
32 3 2 -6 35.023 70.046 1.34217 1908.6 5.1 4.9 5.9
33 5 2 -2 35.111 70.222 1.33925 2463.7 6.6 6.3 5.9
34 0 1 6 35.73 71.46 1.31905 1179.8 3.2 3.0 5.9
35 4 1 2 35.817 71.634 1.31628 1641.3 4.4 4.2 5.9
36 6 1 -6 35.856 71.712 1.31503 2489.3 6.7 6.3 5.9
37 6 1 -2 35.887 71.774 1.31405 420.4 1.1 1.1 5.9
38 2 3 1 36.425 72.85 1.29727 838.5 2.2 2.1 6.0
39 4 0 -8 37.382 74.763 1.26874 762.5 2.0 1.9 6.0
40 5 2 -6 37.843 75.686 1.25555 526.4 1.4 1.3 6.0
41 1 3 -4 37.943 75.886 1.25274 1742.7 4.7 4.4 6.0
42 3 3 0 37.985 75.971 1.25155 1500.6 4.0 3.8 6.0
43 1 0 6 38.717 77.434 1.23152 956.3 2.6 2.4 6.0
44 2 2 4 39.145 78.291 1.22017 1002.2 2.7 2.5 6.0
45 2 3 2 39.318 78.636 1.21567 578.0 1.5 1.4 6.0
46 3 1 4 39.872 79.745 1.20153 2642.1 7.1 6.6 6.0
47 7 1 -4 40.008 80.015 1.19815 2009.6 5.4 5.0 6.0
48 6 0 0 40.214 80.429 1.19303 705.1 1.9 1.8 6.0
49 5 0 2 41.508 83.016 1.16229 570.2 1.5 1.4 6.1
50 0 4 0 44.32 88.64 1.1025 388.0 1.0 0.9 6.2
51 4 2 -8 44.463 88.926 1.09969 985.3 2.6 2.4 6.2
52 2 3 -6 44.607 89.214 1.09689 640.1 1.7 1.6 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)
|