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 ***
***********************
CHRISSTANLEYITE
1, DF
(Ag,Cu)(2)Pd(3)Se(4)
Monoclinic P 2(1)/c Z = 2
P2(1)/c
4 .5 .11
Ref.Str.:
Topa D., Makovicky E., Balic-Zunic T. (2006)
* Canad. Mineral., 44, 497-505
R: from El Chire, La Rioja, Argentina.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.676 alpha = 90.0
b = 10.342 beta = 115.0
c = 6.341 gamma = 90.0
Unit cell volume (cub. angs.) = 337.36
Molar volume ( cub.cm/mol.) = 101.6
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6298 0.1964 0.9789 0.0 Ag = 0.8 , Ag = 0.0
2 0.645 0.189 0.041 0.0 Cu = 0.2 , Cu = 0.0
3 0.0 0.0 0.0 0.0 Pd = 1.00
4 0.2649 0.1271 0.5071 0.0 Pd = 1.00
5 0.4645 0.05 0.2518 0.0 Se = 1.00
6 0.0445 0.1836 0.7593 0.0 Se = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6298 0.1964 0.9789
2 2 0.645 0.189 0.041
3 3 0.0 0.0 0.0
4 4 0.2649 0.1271 0.5071
5 5 0.4645 0.05 0.2518
6 6 0.0445 0.1836 0.7593
7 1 0.3702 0.6964 0.5211
8 2 0.355 0.689 0.459
9 3 0.0 0.5 0.5
10 4 0.7351 0.6271 0.9929
11 5 0.5355 0.55 0.2482
12 6 0.9555 0.6836 0.7407
13 1 0.6298 0.3036 0.4789
14 2 0.645 0.311 0.541
15 4 0.2649 0.3729 0.0071
16 5 0.4645 0.45 0.7518
17 6 0.0445 0.3164 0.2593
18 1 0.3702 0.8036 0.0211
19 2 0.355 0.811 0.959
20 4 0.7351 0.8729 0.4929
21 5 0.5355 0.95 0.7482
22 6 0.9555 0.8164 0.2407
X-ray density (g/cm cub.) = 8.19
MU (1/cm) = 1312.841 Mass attenuation coefficient (cm**2/g) = 160.306
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag ,Ag 3.672 6
2.7458 5
3.2042 6
3.0139 6
2.948 5
2.5894 6
2.8737 5
2 Cu ,Cu 3.492 6
2.4618 5
3.4291 6
3.109 6
3.1797 5
2.4782 6
2.9946 5
3 Pd 3.084 4
2.492 5
2.5149 6
2.492 5
2.5149 6
4 Pd 3.084 4
2.4678 5
2.4808 6
2.4911 6
2.463 5
5 Se 4.632 8
3.7616 6
3.3246 6
4.2777 6
3.6567 6
3.173 5
3.5379 5
3.7114 6
3.7439 6
6 Se 4.632 8
3.3246 5
3.7616 5
3.6567 5
4.2777 5
3.4552 6
3.4552 6
3.7114 5
3.7439 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 0 2 0 8.567 17.134 0.097 87.19 2 25.6 100.8
2 1 0 0 8.611 17.223 0.097 86.27 2 40.2 244.5
3 0 1 1 8.82 17.64 0.1 82.13 4 20.8 125.3
4 1 1 0 9.627 19.254 0.109 68.59 4 50.5 615.6
5 1 1 -1 9.8 19.6 0.11 66.12 4 74.3 1282.7
6 0 2 1 11.559 23.119 0.13 46.92 4 32.8 176.9
7 1 2 0 12.193 24.386 0.137 41.96 4 3.0 1.4
8 1 2 -1 12.332 24.664 0.139 40.97 4 90.3 1174.2
9 1 0 -2 14.222 28.443 0.159 30.31 2 1.8 0.2
10 1 1 1 14.524 29.048 0.163 28.98 4 51.3 268.0
11 1 1 -2 14.875 29.75 0.167 27.53 4 25.3 61.8
12 0 3 1 15.103 30.206 0.169 26.65 4 62.6 367.4
13 0 0 2 15.549 31.098 0.174 25.04 2 154.4 1048.9
14 1 3 0 15.603 31.206 0.175 24.85 4 170.1 2527.2
15 1 3 -1 15.714 31.428 0.176 24.47 4 185.5 2961.2
16 0 1 2 16.154 32.307 0.181 23.06 4 24.7 49.4
17 2 1 -1 16.353 32.705 0.183 22.46 4 108.8 934.1
18 1 2 1 16.381 32.761 0.183 22.37 4 349.6 9611.7
19 1 2 -2 16.697 33.394 0.186 21.46 4 288.9 6294.9
20 0 4 0 17.333 34.666 0.193 19.79 2 25.0 21.7
21 2 0 0 17.425 34.851 0.194 19.56 2 99.6 341.0
22 2 0 -2 17.824 35.648 0.199 18.61 2 295.9 2863.8
23 0 2 2 17.859 35.717 0.199 18.54 4 47.5 147.3
24 2 1 0 17.974 35.948 0.2 18.28 4 148.0 1406.2
25 2 2 -1 18.041 36.082 0.201 18.13 4 121.1 934.4
26 2 1 -2 18.362 36.725 0.204 17.44 4 88.0 475.0
27 0 4 1 19.068 38.135 0.212 16.05 4 210.1 2489.7
28 1 3 1 19.118 38.237 0.213 15.95 4 98.2 540.7
29 1 3 -2 19.395 38.791 0.216 15.45 4 142.2 1098.6
30 1 4 0 19.477 38.955 0.216 15.31 4 27.5 40.6
31 2 2 0 19.54 39.08 0.217 15.2 4 101.4 549.2
32 1 4 -1 19.569 39.137 0.217 15.15 4 107.7 617.7
33 2 2 -2 19.902 39.805 0.221 14.59 4 90.1 416.6
34 0 3 2 20.425 40.849 0.227 13.78 4 23.0 25.6
35 2 3 -1 20.588 41.175 0.228 13.53 4 6.0 1.7
36 1 0 2 20.98 41.96 0.232 12.97 2 50.2 57.5
37 1 1 2 21.451 42.903 0.237 12.34 4 15.1 9.9
38 1 1 -3 21.87 43.741 0.242 11.82 4 26.3 28.8
39 2 3 0 21.94 43.88 0.243 11.73 4 135.2 753.3
40 2 3 -2 22.27 44.54 0.246 11.35 4 24.4 23.8
41 1 4 1 22.472 44.944 0.248 11.12 4 93.6 342.1
42 2 1 1 22.554 45.108 0.249 11.03 4 222.8 1924.5
43 1 4 -2 22.715 45.431 0.251 10.85 4 95.0 344.3
44 1 2 2 22.817 45.635 0.252 10.74 4 281.3 2988.0
45 2 1 -3 23.196 46.392 0.256 10.35 4 206.2 1546.2
46 1 2 -3 23.217 46.434 0.256 10.33 4 327.1 3883.5
47 0 5 1 23.315 46.63 0.257 10.23 4 287.0 2960.5
48 0 4 2 23.626 47.252 0.26 9.93 4 62.6 136.9
49 1 5 0 23.664 47.329 0.261 9.89 4 79.0 217.1
50 1 5 -1 23.742 47.485 0.261 9.82 4 32.0 35.4
51 2 4 -1 23.771 47.543 0.262 9.79 4 287.6 2845.0
52 2 2 1 23.87 47.74 0.263 9.7 4 103.0 361.4
53 0 1 3 24.138 48.275 0.265 9.46 4 8.7 2.5
54 2 2 -3 24.486 48.972 0.269 9.15 4 62.7 126.6
55 3 0 -2 24.493 48.985 0.269 9.15 2 202.7 660.4
56 3 1 -1 24.685 49.369 0.271 8.99 4 109.2 376.8
57 3 1 -2 24.911 49.822 0.273 8.8 4 222.6 1533.2
58 1 3 2 24.964 49.928 0.274 8.76 4 121.1 451.3
59 2 4 0 24.987 49.975 0.274 8.74 4 211.6 1375.6
60 2 4 -2 25.286 50.573 0.277 8.51 4 170.8 872.5
61 1 3 -3 25.338 50.675 0.278 8.47 4 93.5 260.4
62 0 2 3 25.391 50.782 0.278 8.43 4 21.8 14.1
63 3 2 -1 25.919 51.837 0.284 8.04 4 173.7 852.9
64 2 3 1 25.951 51.901 0.284 8.02 4 54.5 83.6
65 3 2 -2 26.137 52.275 0.286 7.89 4 84.7 198.9
66 1 5 1 26.28 52.559 0.287 7.79 4 8.4 1.9
67 1 5 -2 26.496 52.992 0.29 7.65 4 98.7 261.9
68 2 3 -3 26.531 53.061 0.29 7.63 4 6.0 1.0
69 0 6 0 26.544 53.088 0.29 7.62 2 176.1 415.2
70 3 0 0 26.692 53.384 0.292 7.52 2 184.7 451.1
71 3 1 0 27.086 54.172 0.296 7.27 4 77.7 154.4
72 0 5 2 27.313 54.625 0.298 7.14 4 5.1 0.6
73 0 3 3 27.387 54.775 0.299 7.09 4 80.1 160.1
74 2 5 -1 27.444 54.887 0.299 7.06 4 76.4 144.7
75 3 1 -3 27.72 55.439 0.302 6.9 4 52.2 66.0
76 1 4 2 27.761 55.522 0.302 6.88 4 101.3 247.8
77 0 6 1 27.811 55.621 0.303 6.85 4 28.4 19.4
78 3 3 -1 27.888 55.776 0.304 6.81 4 91.4 199.9
79 3 3 -2 28.096 56.193 0.306 6.69 4 82.6 160.6
80 1 4 -3 28.108 56.217 0.306 6.69 4 108.5 276.7
81 1 6 0 28.119 56.238 0.306 6.68 4 119.8 337.0
82 1 6 -1 28.188 56.376 0.307 6.64 4 175.9 722.7
83 3 2 0 28.246 56.491 0.307 6.61 4 107.1 266.6
84 2 5 0 28.547 57.093 0.31 6.46 4 60.8 83.9
85 2 0 2 28.616 57.231 0.311 6.42 2 197.6 440.6
86 2 4 1 28.68 57.36 0.312 6.39 4 33.4 25.0
87 2 5 -2 28.82 57.64 0.313 6.32 4 51.3 58.4
88 3 2 -3 28.862 57.724 0.313 6.3 4 2.1 0.1
89 2 1 2 28.992 57.984 0.315 6.23 4 40.9 36.7
90 2 4 -3 29.223 58.446 0.317 6.12 4 52.4 59.1
91 1 1 3 29.369 58.738 0.318 6.06 4 50.9 55.2
92 2 0 -4 29.429 58.858 0.319 6.03 2 54.5 31.4
93 1 0 -4 29.468 58.936 0.319 6.01 2 35.9 13.6
94 2 1 -4 29.799 59.598 0.323 5.86 4 100.7 209.0
95 1 1 -4 29.838 59.675 0.323 5.84 4 7.7 1.2
96 0 4 3 30.029 60.057 0.325 5.76 4 140.3 398.7
97 2 2 2 30.103 60.207 0.326 5.73 4 37.4 28.2
98 3 3 0 30.113 60.225 0.326 5.73 4 19.3 7.5
99 1 6 1 30.464 60.929 0.329 5.58 4 76.8 115.7
100 1 2 3 30.472 60.944 0.329 5.58 4 46.1 41.7
101 3 4 -1 30.502 61.003 0.329 5.56 4 57.7 65.2
102 1 6 -2 30.661 61.323 0.331 5.5 4 63.9 78.9
103 3 4 -2 30.699 61.397 0.331 5.48 4 84.0 136.1
104 3 3 -3 30.706 61.411 0.331 5.48 4 95.1 174.1
105 2 2 -4 30.893 61.785 0.333 5.41 4 103.9 205.3
106 1 2 -4 30.93 61.861 0.334 5.39 4 36.2 24.9
107 1 5 2 31.105 62.21 0.335 5.33 4 77.7 113.0
108 0 6 2 31.407 62.814 0.338 5.22 4 77.0 108.7
109 1 5 -3 31.429 62.858 0.338 5.21 4 21.5 8.4
110 2 6 -1 31.527 63.055 0.339 5.17 4 52.7 50.4
111 3 1 1 31.703 63.406 0.341 5.11 4 37.7 25.6
112 2 3 2 31.904 63.807 0.343 5.04 4 31.9 18.0
113 2 5 1 31.964 63.928 0.344 5.02 4 25.6 11.5
114 1 3 3 32.26 64.52 0.346 4.92 4 156.0 420.8
115 3 0 -4 32.309 64.619 0.347 4.9 2 172.5 256.5
116 0 0 4 32.42 64.84 0.348 4.87 2 429.1 1574.9
117 2 5 -3 32.474 64.948 0.349 4.85 4 25.7 11.3
118 2 6 0 32.544 65.088 0.349 4.83 4 77.7 102.5
119 0 7 1 32.569 65.138 0.349 4.82 4 105.3 187.7
120 3 4 0 32.617 65.233 0.35 4.8 4 17.0 4.9
121 3 1 -4 32.66 65.32 0.35 4.79 4 51.6 44.9
122 2 3 -4 32.668 65.335 0.35 4.79 4 87.6 129.1
123 1 3 -4 32.704 65.409 0.351 4.78 4 143.8 347.3
124 3 2 1 32.76 65.52 0.351 4.76 4 12.7 2.7
125 0 1 4 32.77 65.54 0.351 4.76 4 0.7 0.0
126 2 6 -2 32.797 65.594 0.352 4.75 4 0.8 0.0
127 1 7 0 32.85 65.7 0.352 4.73 4 96.4 154.6
128 4 0 -2 32.891 65.782 0.352 4.72 2 30.2 7.5
129 1 7 -1 32.913 65.826 0.353 4.71 4 99.5 164.0
130 3 4 -3 33.184 66.368 0.355 4.63 4 40.2 26.3
131 0 5 3 33.233 66.467 0.356 4.61 4 217.4 766.3
132 4 1 -2 33.238 66.477 0.356 4.61 4 53.7 46.7
133 3 5 -1 33.681 67.362 0.36 4.49 4 114.8 207.7
134 3 2 -4 33.701 67.402 0.36 4.48 4 112.7 200.1
135 0 2 4 33.809 67.618 0.361 4.45 4 1.9 0.1
136 3 5 -2 33.868 67.735 0.362 4.43 4 67.3 70.5
137 4 1 -1 34.104 68.209 0.364 4.37 4 143.9 318.0
138 4 2 -2 34.27 68.541 0.366 4.33 4 121.6 224.8
139 2 4 2 34.335 68.67 0.366 4.31 4 152.8 353.6
140 3 3 1 34.484 68.967 0.368 4.27 4 73.6 81.4
141 4 1 -3 34.598 69.197 0.369 4.24 4 36.5 19.8
142 1 4 3 34.679 69.358 0.369 4.22 4 60.8 54.9
143 1 6 2 34.934 69.867 0.372 4.16 4 65.6 62.9
144 1 7 1 35.011 70.021 0.372 4.14 4 125.3 228.5
145 2 4 -4 35.072 70.145 0.373 4.13 4 171.9 428.7
146 1 4 -4 35.108 70.216 0.373 4.12 4 9.5 1.3
147 4 2 -1 35.124 70.249 0.373 4.12 4 53.4 41.2
148 1 7 -2 35.194 70.388 0.374 4.1 4 162.9 382.2
149 1 6 -3 35.239 70.479 0.375 4.09 4 89.5 115.1
150 3 3 -4 35.402 70.805 0.376 4.05 4 33.0 15.5
151 0 3 4 35.508 71.016 0.377 4.03 4 29.8 12.6
152 4 2 -3 35.612 71.223 0.378 4.0 4 58.5 48.2
153 3 5 0 35.697 71.393 0.379 3.98 4 109.5 167.8
154 2 6 1 35.745 71.491 0.379 3.97 4 96.4 129.7
155 0 7 2 35.891 71.781 0.381 3.94 4 27.1 10.2
156 4 3 -2 35.959 71.919 0.381 3.93 4 111.7 172.3
157 2 7 -1 36.003 72.006 0.382 3.92 4 181.3 452.7
158 2 6 -3 36.229 72.458 0.384 3.87 4 100.1 136.3
159 3 5 -3 36.241 72.482 0.384 3.87 4 199.9 543.6
160 0 8 0 36.573 73.146 0.387 3.8 2 73.7 36.3
161 2 1 3 36.79 73.58 0.389 3.76 4 80.9 86.5
162 4 0 0 36.793 73.587 0.389 3.76 2 139.1 127.8
163 4 3 -1 36.796 73.593 0.389 3.76 4 246.9 805.0
164 3 4 1 36.833 73.666 0.389 3.75 4 50.7 33.9
165 0 6 3 36.952 73.905 0.39 3.73 4 37.7 18.6
166 2 7 0 36.959 73.919 0.39 3.73 4 102.5 137.7
167 4 1 0 37.124 74.248 0.392 3.7 4 57.7 43.3
168 2 7 -2 37.199 74.397 0.392 3.68 4 75.4 73.6
169 4 3 -3 37.275 74.55 0.393 3.67 4 187.4 452.8
170 2 5 2 37.35 74.7 0.394 3.66 4 65.4 55.0
171 3 6 -1 37.38 74.76 0.394 3.65 4 63.7 52.1
172 3 6 -2 37.559 75.117 0.396 3.62 4 31.1 12.3
173 0 8 1 37.643 75.285 0.396 3.6 4 35.1 15.6
174 1 5 3 37.682 75.364 0.397 3.6 4 70.8 63.4
175 3 4 -4 37.728 75.456 0.397 3.59 4 38.0 18.2
176 2 1 -5 37.745 75.49 0.397 3.59 4 70.9 63.3
177 4 0 -4 37.748 75.496 0.397 3.59 2 173.0 188.7
178 2 2 3 37.779 75.559 0.398 3.58 4 92.5 107.6
179 3 0 2 37.785 75.569 0.398 3.58 2 176.0 194.8
180 0 4 4 37.831 75.662 0.398 3.57 4 18.3 4.2
181 1 8 0 37.906 75.813 0.399 3.56 4 95.6 114.4
182 1 0 4 37.92 75.84 0.399 3.56 2 63.4 25.1
183 1 8 -1 37.966 75.931 0.399 3.55 4 79.8 79.4
184 2 5 -4 38.063 76.126 0.4 3.53 4 60.1 44.9
185 4 1 -4 38.076 76.152 0.4 3.53 4 7.1 0.6
186 1 5 -4 38.097 76.195 0.401 3.53 4 52.8 34.6
187 4 2 0 38.11 76.221 0.401 3.53 4 145.6 262.7
188 3 1 2 38.112 76.225 0.401 3.53 4 211.4 553.6
189 1 1 4 38.247 76.495 0.402 3.5 4 77.4 73.8
190 4 4 -2 38.272 76.544 0.402 3.5 4 78.5 75.8
191 2 2 -5 38.726 77.451 0.406 3.43 4 57.6 40.0
192 1 1 -5 38.778 77.557 0.407 3.42 4 56.8 38.8
193 4 2 -4 39.054 78.108 0.409 3.38 4 117.8 164.8
194 3 2 2 39.09 78.18 0.409 3.38 4 82.3 80.4
195 4 4 -1 39.091 78.182 0.409 3.38 4 56.1 37.3
196 1 2 4 39.224 78.448 0.41 3.36 4 9.4 1.0
197 1 7 2 39.233 78.465 0.411 3.36 4 153.0 276.2
198 3 6 0 39.318 78.637 0.411 3.34 4 152.9 274.9
199 3 1 -5 39.35 78.699 0.412 3.34 4 109.0 139.5
200 2 3 3 39.409 78.819 0.412 3.33 4 3.3 0.1
201 1 7 -3 39.526 79.052 0.413 3.32 4 87.0 88.3
202 4 4 -3 39.56 79.121 0.413 3.31 4 127.7 189.7
203 4 3 0 39.736 79.472 0.415 3.29 4 35.0 14.1
204 1 2 -5 39.751 79.503 0.415 3.29 4 55.1 35.1
205 3 5 1 39.775 79.55 0.415 3.28 4 198.2 453.4
206 3 6 -3 39.845 79.691 0.416 3.27 4 227.6 596.2
207 1 8 1 39.953 79.907 0.417 3.26 4 44.2 22.3
208 2 7 1 40.012 80.024 0.417 3.25 4 101.7 118.2
209 1 8 -2 40.129 80.257 0.418 3.24 4 115.6 152.0
210 3 2 -5 40.319 80.638 0.42 3.22 4 174.4 343.7
211 2 3 -5 40.344 80.689 0.42 3.21 4 9.9 1.1
212 2 7 -3 40.479 80.957 0.421 3.2 4 129.7 188.9
213 3 5 -4 40.65 81.299 0.423 3.18 4 112.8 142.0
214 4 3 -4 40.669 81.339 0.423 3.17 4 29.0 9.4
215 3 3 2 40.705 81.41 0.423 3.17 4 46.9 24.5
216 0 5 4 40.751 81.501 0.424 3.17 4 18.3 3.7
217 0 8 2 40.796 81.592 0.424 3.16 4 203.2 458.6
218 1 3 4 40.838 81.676 0.424 3.16 4 85.4 80.9
219 2 8 -1 40.904 81.808 0.425 3.15 4 62.4 43.1
220 2 6 2 40.923 81.846 0.425 3.15 4 19.3 4.1
221 0 7 3 41.178 82.357 0.427 3.12 4 85.6 80.3
222 4 5 -2 41.183 82.366 0.427 3.12 4 72.0 56.8
223 1 6 3 41.247 82.494 0.428 3.11 4 169.3 313.6
224 1 3 -5 41.36 82.72 0.429 3.1 4 91.3 90.9
225 3 7 -1 41.593 83.187 0.431 3.08 4 38.3 15.9
226 2 6 -4 41.619 83.238 0.431 3.07 4 65.9 47.0
227 1 6 -4 41.653 83.305 0.431 3.07 4 116.8 147.3
228 2 4 3 41.662 83.324 0.431 3.07 4 206.5 460.0
229 3 7 -2 41.767 83.534 0.432 3.06 4 56.5 34.3
230 2 8 0 41.826 83.651 0.433 3.05 4 157.1 265.1
231 3 3 -5 41.923 83.846 0.434 3.05 4 51.8 28.7
232 4 4 0 41.985 83.97 0.434 3.04 4 51.9 28.8
233 4 5 -1 41.988 83.976 0.434 3.04 4 34.3 12.5
234 2 8 -2 42.057 84.114 0.435 3.03 4 89.4 85.3
235 4 1 1 42.134 84.269 0.435 3.03 4 36.4 14.1
236 0 1 5 42.398 84.796 0.438 3.0 4 9.4 0.9
237 4 5 -3 42.45 84.9 0.438 3.0 4 83.9 74.2
238 2 4 -5 42.587 85.174 0.439 2.99 4 199.8 419.3
239 5 0 -2 42.864 85.728 0.442 2.96 2 61.7 19.8
240 4 4 -4 42.909 85.818 0.442 2.96 4 55.1 31.5
241 3 4 2 42.944 85.889 0.442 2.96 4 47.4 23.4
242 1 4 4 43.076 86.152 0.443 2.95 4 32.1 10.7
243 4 2 1 43.091 86.183 0.443 2.95 4 40.7 17.1
244 0 9 1 43.125 86.25 0.444 2.94 4 8.6 0.8
245 5 1 -2 43.182 86.365 0.444 2.94 4 65.9 44.8
246 3 6 1 43.299 86.598 0.445 2.93 4 234.2 565.1
247 0 2 5 43.354 86.708 0.446 2.93 4 54.0 30.0
248 1 9 0 43.381 86.762 0.446 2.93 4 137.9 195.5
249 1 9 -1 43.439 86.877 0.446 2.92 4 44.7 20.5
250 5 1 -3 43.47 86.941 0.447 2.92 4 48.8 24.4
251 3 7 0 43.487 86.973 0.447 2.92 4 109.2 122.3
252 4 1 -5 43.519 87.038 0.447 2.92 4 120.1 147.8
253 1 4 -5 43.594 87.189 0.448 2.91 4 74.5 56.8
254 3 7 -3 44.005 88.01 0.451 2.88 4 1.1 0.0
255 1 8 2 44.039 88.078 0.451 2.88 4 105.2 112.1
256 5 2 -2 44.137 88.274 0.452 2.88 4 60.4 36.8
257 3 4 -5 44.154 88.308 0.452 2.87 4 0.6 0.0
258 3 6 -4 44.163 88.325 0.452 2.87 4 151.9 233.2
259 0 6 4 44.262 88.525 0.453 2.87 4 127.4 163.6
260 1 8 -3 44.327 88.653 0.454 2.86 4 32.2 10.4
261 5 2 -3 44.425 88.849 0.454 2.86 4 74.9 56.4
262 4 2 -5 44.473 88.946 0.455 2.86 4 33.0 10.9
263 2 5 3 44.53 89.06 0.455 2.85 4 38.4 14.8
264 4 3 1 44.682 89.364 0.456 2.84 4 164.4 270.3
265 4 6 -2 44.69 89.381 0.457 2.84 4 1.8 0.0
266 2 8 1 44.805 89.61 0.457 2.84 4 6.8 0.5
267 4 5 0 44.851 89.702 0.458 2.84 4 111.7 124.3
268 0 3 5 44.944 89.888 0.459 2.83 4 41.5 17.1
269 5 1 -1 44.955 89.909 0.459 2.83 4 126.5 159.2
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 0 0 8.611 17.223 5.14437 244.5 2.3 2.3 5.6
2 0 1 1 8.82 17.64 5.02354 125.3 1.2 1.2 5.6
3 1 1 0 9.627 19.254 4.606 615.6 5.8 5.9 5.6
4 1 1 -1 9.8 19.6 4.5255 1282.7 12.2 12.3 5.6
5 0 2 1 11.559 23.119 3.84403 176.9 1.7 1.7 5.6
6 1 2 -1 12.332 24.664 3.60665 1174.2 11.1 11.2 5.6
7 1 1 1 14.524 29.048 3.07152 268.0 2.5 2.5 5.6
8 0 3 1 15.103 30.206 2.95627 367.4 3.5 3.5 5.6
9 0 0 2 15.549 31.098 2.87354 1048.9 9.9 10.0 5.6
10 1 3 0 15.603 31.206 2.86379 2527.2 24.0 24.0 5.6
11 1 3 -1 15.714 31.428 2.84412 2961.2 28.1 28.1 5.6
12 1 2 1 16.381 32.761 2.73133 10545.8 100.0 100.0 5.6
13 1 2 -2 16.697 33.394 2.68104 6294.9 59.7 59.7 5.7
14 2 0 0 17.425 34.851 2.57219 341.0 3.2 3.2 5.7
15 2 0 -2 17.824 35.648 2.51647 2863.8 27.2 27.1 5.7
16 0 2 2 17.859 35.717 2.51177 147.3 1.4 1.4 5.7
17 2 1 0 17.974 35.948 2.49614 1406.2 13.3 13.3 5.7
18 2 2 -1 18.041 36.082 2.4872 934.4 8.9 8.8 5.7
19 2 1 -2 18.362 36.725 2.44513 475.0 4.5 4.5 5.7
20 0 4 1 19.068 38.135 2.35788 2489.7 23.6 23.5 5.7
21 1 3 1 19.118 38.237 2.35184 540.7 5.1 5.1 5.7
22 1 3 -2 19.395 38.791 2.31951 1098.6 10.4 10.4 5.7
23 2 2 0 19.54 39.08 2.303 549.2 5.2 5.2 5.7
24 1 4 -1 19.569 39.137 2.29979 617.7 5.9 5.8 5.7
25 2 2 -2 19.902 39.805 2.26275 416.6 4.0 3.9 5.7
26 2 3 0 21.94 43.88 2.06156 753.3 7.1 7.1 5.7
27 1 4 1 22.472 44.944 2.01521 342.1 3.2 3.2 5.7
28 2 1 1 22.554 45.108 2.00829 1924.5 18.2 18.0 5.7
29 1 4 -2 22.715 45.431 1.99476 344.3 3.3 3.2 5.7
30 1 2 2 22.817 45.635 1.9863 2988.0 28.3 28.0 5.7
31 1 2 -3 23.217 46.434 1.95397 5429.7 51.5 50.8 5.7
32 0 5 1 23.315 46.63 1.94619 2960.5 28.1 27.7 5.7
33 0 4 2 23.626 47.252 1.92202 136.9 1.3 1.3 5.7
34 1 5 0 23.664 47.329 1.91909 217.1 2.1 2.0 5.7
35 2 4 -1 23.771 47.543 1.91094 2845.0 27.0 26.6 5.7
36 2 2 1 23.87 47.74 1.9035 361.4 3.4 3.4 5.7
37 3 0 -2 24.493 48.985 1.85799 787.0 7.5 7.3 5.7
38 3 1 -1 24.685 49.369 1.84444 376.8 3.6 3.5 5.7
39 3 1 -2 24.911 49.822 1.82872 1533.2 14.5 14.3 5.7
40 2 4 0 24.987 49.975 1.8235 1827.0 17.3 17.0 5.7
41 2 4 -2 25.286 50.573 1.80332 872.5 8.3 8.1 5.8
42 1 3 -3 25.338 50.675 1.79993 260.4 2.5 2.4 5.8
43 3 2 -1 25.919 51.837 1.76227 852.9 8.1 7.9 5.8
44 3 2 -2 26.137 52.275 1.74855 198.9 1.9 1.8 5.8
45 1 5 -2 26.496 52.992 1.72655 261.9 2.5 2.4 5.8
46 0 6 0 26.544 53.088 1.72367 415.2 3.9 3.9 5.8
47 3 0 0 26.692 53.384 1.71479 451.1 4.3 4.2 5.8
48 3 1 0 27.086 54.172 1.69169 154.4 1.5 1.4 5.8
49 0 3 3 27.387 54.775 1.67451 160.1 1.5 1.5 5.8
50 2 5 -1 27.444 54.887 1.67134 144.7 1.4 1.3 5.8
51 1 4 2 27.761 55.522 1.65373 247.8 2.4 2.3 5.8
52 3 3 -1 27.888 55.776 1.64678 199.9 1.9 1.8 5.8
53 1 6 0 28.119 56.238 1.63437 774.2 7.3 7.2 5.8
54 1 6 -1 28.188 56.376 1.63069 722.7 6.9 6.7 5.8
55 3 2 0 28.246 56.491 1.62763 266.6 2.5 2.5 5.8
56 2 0 2 28.616 57.231 1.60833 440.6 4.2 4.1 5.8
57 2 1 -4 29.799 59.598 1.54999 209.0 2.0 1.9 5.8
58 0 4 3 30.029 60.057 1.53923 398.7 3.8 3.7 5.8
59 1 6 1 30.464 60.929 1.51929 157.4 1.5 1.4 5.8
60 3 3 -3 30.706 61.411 1.5085 310.2 2.9 2.8 5.8
61 2 2 -4 30.893 61.785 1.50026 205.3 1.9 1.9 5.8
62 1 5 2 31.105 62.21 1.49104 113.0 1.1 1.0 5.8
63 0 6 2 31.407 62.814 1.47814 117.2 1.1 1.1 5.9
64 1 3 3 32.26 64.52 1.44311 420.8 4.0 3.8 5.9
65 3 0 -4 32.309 64.619 1.44115 256.5 2.4 2.3 5.9
66 0 0 4 32.42 64.84 1.43677 1574.9 14.9 14.4 5.9
67 0 7 1 32.569 65.138 1.4309 290.2 2.8 2.6 5.9
68 2 3 -4 32.668 65.335 1.42706 174.0 1.6 1.6 5.9
69 1 3 -4 32.704 65.409 1.42564 347.3 3.3 3.2 5.9
70 1 7 0 32.85 65.7 1.42003 154.6 1.5 1.4 5.9
71 1 7 -1 32.913 65.826 1.41761 171.5 1.6 1.6 5.9
72 0 5 3 33.233 66.467 1.40549 813.0 7.7 7.4 5.9
73 3 5 -1 33.681 67.362 1.38897 407.9 3.9 3.7 5.9
74 4 1 -1 34.104 68.209 1.37377 318.0 3.0 2.9 5.9
75 4 2 -2 34.27 68.541 1.36793 224.8 2.1 2.0 5.9
76 2 4 2 34.335 68.67 1.36566 353.6 3.4 3.2 5.9
77 1 7 1 35.011 70.021 1.34258 228.5 2.2 2.1 5.9
78 2 4 -4 35.072 70.145 1.34052 428.7 4.1 3.9 5.9
79 1 7 -2 35.194 70.388 1.33648 382.2 3.6 3.5 5.9
80 1 6 -3 35.239 70.479 1.33499 115.1 1.1 1.0 5.9
81 3 5 0 35.697 71.393 1.32012 167.8 1.6 1.5 5.9
82 2 6 1 35.745 71.491 1.31856 129.7 1.2 1.2 5.9
83 4 3 -2 35.959 71.919 1.31176 172.3 1.6 1.6 5.9
84 2 7 -1 36.003 72.006 1.31038 452.7 4.3 4.1 5.9
85 3 5 -3 36.241 72.482 1.30295 679.9 6.4 6.1 5.9
86 4 3 -1 36.796 73.593 1.286 1019.3 9.7 9.2 6.0
87 2 7 0 36.959 73.919 1.28113 156.3 1.5 1.4 6.0
88 4 3 -3 37.275 74.55 1.27185 452.8 4.3 4.1 6.0
89 4 0 -4 37.748 75.496 1.25823 270.2 2.6 2.4 6.0
90 3 0 2 37.785 75.569 1.2572 302.4 2.9 2.7 6.0
91 1 8 0 37.906 75.813 1.25377 139.5 1.3 1.2 6.0
92 3 1 2 38.112 76.225 1.24801 850.9 8.1 7.6 6.0
93 4 4 -2 38.272 76.544 1.2436 149.6 1.4 1.3 6.0
94 4 2 -4 39.054 78.108 1.22256 164.8 1.6 1.5 6.0
95 3 2 2 39.09 78.18 1.22161 117.6 1.1 1.0 6.0
96 1 7 2 39.233 78.465 1.21789 277.2 2.6 2.5 6.0
97 3 6 0 39.318 78.637 1.21567 274.9 2.6 2.4 6.0
98 3 1 -5 39.35 78.699 1.21485 139.5 1.3 1.2 6.0
99 4 4 -3 39.56 79.121 1.20944 189.7 1.8 1.7 6.0
100 3 5 1 39.775 79.55 1.20399 502.7 4.8 4.5 6.0
101 3 6 -3 39.845 79.691 1.20222 596.2 5.7 5.3 6.0
102 2 7 1 40.012 80.024 1.19804 118.2 1.1 1.0 6.0
103 1 8 -2 40.129 80.257 1.19515 152.0 1.4 1.3 6.0
104 3 2 -5 40.319 80.638 1.19046 344.8 3.3 3.1 6.1
105 2 7 -3 40.479 80.957 1.18657 188.9 1.8 1.7 6.1
106 3 5 -4 40.65 81.299 1.18244 151.4 1.4 1.3 6.1
107 0 8 2 40.796 81.592 1.17894 458.6 4.3 4.0 6.1
108 0 7 3 41.178 82.357 1.16992 137.1 1.3 1.2 6.1
109 1 6 3 41.247 82.494 1.16832 313.6 3.0 2.8 6.1
110 2 4 3 41.662 83.324 1.15878 607.3 5.8 5.3 6.1
111 2 8 0 41.826 83.651 1.15507 265.1 2.5 2.3 6.1
112 2 4 -5 42.587 85.174 1.13827 419.3 4.0 3.7 6.1
113 3 6 1 43.299 86.598 1.12318 565.1 5.4 4.9 6.1
114 1 9 0 43.381 86.762 1.12147 225.5 2.1 2.0 6.1
115 3 7 0 43.487 86.973 1.11929 146.6 1.4 1.3 6.1
116 4 1 -5 43.519 87.038 1.11863 147.8 1.4 1.3 6.1
117 1 8 2 44.039 88.078 1.10808 112.1 1.1 1.0 6.2
118 3 6 -4 44.163 88.325 1.10562 270.1 2.6 2.3 6.2
119 0 6 4 44.262 88.525 1.10364 163.6 1.6 1.4 6.2
120 4 3 1 44.682 89.364 1.09544 270.4 2.6 2.3 6.2
121 4 5 0 44.851 89.702 1.09218 124.3 1.2 1.1 6.2
122 5 1 -1 44.955 89.909 1.09021 176.3 1.7 1.5 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)
|