Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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SPALTIITE
1
Tl(2)Cu(2)As(2)S(5)
Monoclinic P 2(1)/c Z = 4
R =0.1218 NR =4753
7 .4 .26
Ref.Str.:
Graeser S., Topa D., Effenberger H.S., Makovicky E., Paar W.H.,
Dinca G. (2026) * Eur. J. Mineral., 38(1), 27-37
doi:10.5194/ejm-38-27-2026
L: $Tl1.94 Cu2.04 Ag0.01 As1.95 Sb0.03 S5.03$
R: Locality - Lengenbach Quarry, Fald, Binn, Goms, Valais, Switzerland.
IMA2014-012. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.791 alpha = 90.0
b = 10.0 beta = 99.25
c = 6.323 gamma = 90.0
Unit cell volume (cub. angs.) = 985.48
Molar volume ( cub.cm/mol.) = 148.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5423 0.1448 0.236 0.0 Tl = 1.00
2 0.9292 0.1177 0.2397 0.0 Tl = 1.00
3 0.1817 0.1542 0.3724 0.0 As = 1.00
4 0.2867 0.0395 0.9907 0.0 As = 1.00
5 0.3503 0.1477 0.4672 0.0 Cu = 1.00
6 0.744 0.1359 0.5769 0.0 Cu = 1.00
7 0.8785 0.0395 0.7314 0.0 S = 1.00
8 0.1035 0.1897 0.6438 0.0 S = 1.00
9 0.7381 0.1468 0.2101 0.0 S = 1.00
10 0.6264 0.0419 0.7186 0.0 S = 1.00
11 0.3868 0.1474 0.8289 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5423 0.1448 0.236
2 2 0.9292 0.1177 0.2397
3 3 0.1817 0.1542 0.3724
4 4 0.2867 0.0395 0.9907
5 5 0.3503 0.1477 0.4672
6 6 0.744 0.1359 0.5769
7 7 0.8785 0.0395 0.7314
8 8 0.1035 0.1897 0.6438
9 9 0.7381 0.1468 0.2101
10 10 0.6264 0.0419 0.7186
11 11 0.3868 0.1474 0.8289
12 1 0.4577 0.6448 0.264
13 2 0.0708 0.6177 0.2603
14 3 0.8183 0.6542 0.1276
15 4 0.7133 0.5395 0.5093
16 5 0.6497 0.6477 0.0328
17 6 0.256 0.6359 0.9231
18 7 0.1215 0.5395 0.7686
19 8 0.8965 0.6897 0.8562
20 9 0.2619 0.6468 0.2899
21 10 0.3736 0.5419 0.7814
22 11 0.6132 0.6474 0.6711
23 1 0.5423 0.3552 0.736
24 2 0.9292 0.3823 0.7397
25 3 0.1817 0.3458 0.8724
26 4 0.2867 0.4605 0.4907
27 5 0.3503 0.3523 0.9672
28 6 0.744 0.3641 0.0769
29 7 0.8785 0.4605 0.2314
30 8 0.1035 0.3103 0.1438
31 9 0.7381 0.3532 0.7101
32 10 0.6264 0.4581 0.2186
33 11 0.3868 0.3526 0.3289
34 1 0.4577 0.8552 0.764
35 2 0.0708 0.8823 0.7603
36 3 0.8183 0.8458 0.6276
37 4 0.7133 0.9605 0.0093
38 5 0.6497 0.8523 0.5328
39 6 0.256 0.8641 0.4231
40 7 0.1215 0.9605 0.2686
41 8 0.8965 0.8103 0.3562
42 9 0.2619 0.8532 0.7899
43 10 0.3736 0.9581 0.2814
44 11 0.6132 0.8526 0.1711
X-ray density (g/cm cub.) = 5.7
MU (1/cm) = 1235.546 Mass attenuation coefficient (cm**2/g) = 216.761
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tl 4.104 8
3.122 9
3.2909 10
3.8629 10
3.2599 11
3.4112 10
3.3403 11
3.3036 10
3.1793 11
2 Tl 4.104 8
3.4229 7
3.2793 7
3.5164 8
3.0068 9
3.5189 7
3.492 8
3.3985 7
3.2215 8
3 As 3.012 3
2.2967 8
2.3399 8
2.2103 7
4 As 3.012 3
2.2873 11
2.2532 9
2.2617 10
5 Cu 3.36 3
2.2669 11
2.3361 11
2.2911 10
6 Cu 3.36 4
2.3928 7
2.3087 9
2.3815 10
2.3378 9
7 S 4.368 7
3.9773 8
4.1696 9
3.8187 9
3.9688 10
3.5871 8
3.8312 9
3.3435 8
8 S 4.368 6
3.9773 7
3.5871 7
3.3837 8
3.3837 8
3.3435 7
4.206 9
9 S 4.368 10
3.8187 7
4.1696 7
4.0463 10
3.4796 10
3.8312 7
3.7756 9
3.7756 9
3.5826 10
4.206 8
3.5284 11
10 S 4.368 8
3.9688 7
3.4796 9
4.0463 9
4.0942 11
3.9594 11
3.5826 9
3.4648 11
3.9216 11
11 S 4.368 7
4.0942 10
3.9594 10
3.7691 11
3.7691 11
3.5284 9
3.4648 10
3.9216 10
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 1 0 0 3.29 6.58 0.032 604.25 2 68.6 586.3
2 1 1 0 6.101 12.201 0.059 174.11 4 47.6 162.2
3 2 0 0 6.591 13.182 0.064 148.85 2 93.5 267.7
4 2 1 0 8.367 16.734 0.081 91.51 4 39.3 58.1
5 0 1 1 9.727 19.453 0.094 67.15 4 33.3 30.7
6 1 1 -1 9.838 19.675 0.096 65.59 4 80.3 174.0
7 3 0 0 9.914 19.828 0.096 64.55 2 39.5 20.7
8 0 2 0 10.305 20.61 0.1 59.58 2 3.6 0.2
9 1 1 1 10.701 21.403 0.104 55.1 4 21.3 10.3
10 1 2 0 10.829 21.657 0.105 53.76 4 56.7 71.2
11 2 1 -1 11.003 22.006 0.107 52.0 4 12.4 3.3
12 3 1 0 11.187 22.375 0.108 50.24 4 204.0 861.4
13 2 2 0 12.272 24.543 0.119 41.4 4 85.1 123.4
14 2 1 1 12.522 25.043 0.121 39.68 4 60.5 59.8
15 3 1 -1 12.954 25.908 0.125 36.94 4 264.3 1062.7
16 0 2 1 13.251 26.503 0.128 35.21 4 556.6 4493.5
17 4 0 0 13.271 26.542 0.128 35.1 2 3.9 0.1
18 1 2 -1 13.335 26.669 0.129 34.75 4 41.9 25.1
19 1 2 1 13.995 27.989 0.135 31.36 4 1.8 0.0
20 2 2 -1 14.231 28.461 0.137 30.27 4 403.1 2025.3
21 4 1 0 14.263 28.526 0.138 30.12 4 25.6 8.1
22 3 2 0 14.376 28.752 0.139 29.62 4 136.8 228.3
23 3 1 1 14.9 29.8 0.144 27.44 4 362.7 1486.8
24 4 1 -1 15.416 30.832 0.149 25.5 4 9.5 1.0
25 2 2 1 15.454 30.909 0.149 25.37 4 322.5 1086.6
26 3 2 -1 15.813 31.626 0.152 24.15 4 30.0 8.9
27 1 3 0 15.927 31.853 0.153 23.77 4 128.2 160.9
28 1 0 -2 16.448 32.896 0.158 22.17 2 365.3 609.4
29 0 0 2 16.658 33.315 0.16 21.57 2 481.1 1028.2
30 5 0 0 16.675 33.351 0.16 21.52 2 298.1 393.8
31 4 2 0 16.92 33.84 0.163 20.85 4 19.3 3.2
32 2 0 -2 16.927 33.853 0.163 20.84 2 512.5 1127.2
33 2 3 0 16.969 33.938 0.163 20.72 4 196.9 330.8
34 1 1 -2 17.274 34.548 0.166 19.93 4 190.4 297.6
35 3 2 1 17.47 34.939 0.168 19.45 4 350.8 986.0
36 0 1 2 17.475 34.949 0.168 19.44 4 38.9 12.1
37 5 1 0 17.492 34.983 0.168 19.4 4 610.3 2975.2
38 1 0 2 17.533 35.065 0.168 19.3 2 245.0 238.5
39 4 1 1 17.639 35.277 0.169 19.04 4 175.3 241.0
40 0 3 1 17.711 35.422 0.17 18.88 4 277.2 597.2
41 2 1 -2 17.733 35.465 0.17 18.83 4 88.1 60.2
42 1 3 -1 17.775 35.55 0.171 18.73 4 153.6 181.9
43 4 2 -1 17.919 35.838 0.172 18.4 4 94.8 68.1
44 3 0 -2 18.044 36.088 0.173 18.12 2 330.2 406.9
45 5 1 -1 18.21 36.421 0.175 17.76 4 532.9 2077.0
46 1 3 1 18.29 36.58 0.175 17.59 4 141.6 145.2
47 1 1 2 18.315 36.631 0.176 17.54 4 228.8 378.1
48 2 3 -1 18.476 36.953 0.177 17.2 4 279.2 552.2
49 3 3 0 18.592 37.183 0.178 16.97 4 330.2 761.9
50 3 1 -2 18.808 37.617 0.18 16.54 4 334.3 761.2
51 2 0 2 18.993 37.986 0.182 16.19 2 621.0 1285.7
52 2 3 1 19.462 38.924 0.186 15.34 4 192.4 233.8
53 1 2 -2 19.568 39.136 0.187 15.15 4 73.1 33.4
54 4 0 -2 19.707 39.414 0.188 14.92 2 143.8 63.6
55 2 1 2 19.726 39.452 0.189 14.89 4 2.8 0.0
56 0 2 2 19.748 39.497 0.189 14.85 4 52.3 16.7
57 3 3 -1 19.756 39.512 0.189 14.83 4 538.1 1769.4
58 5 2 0 19.764 39.528 0.189 14.82 4 93.4 53.3
59 4 2 1 19.897 39.793 0.19 14.6 4 190.5 218.4
60 2 2 -2 19.981 39.963 0.191 14.47 4 57.6 19.8
61 6 0 0 20.141 40.283 0.192 14.21 2 298.9 261.4
62 5 2 -1 20.414 40.828 0.195 13.79 4 367.7 768.1
63 4 1 -2 20.418 40.837 0.195 13.79 4 52.4 15.6
64 1 2 2 20.509 41.019 0.196 13.65 4 117.6 77.7
65 5 1 1 20.627 41.254 0.197 13.48 4 293.5 478.1
66 4 3 0 20.679 41.358 0.197 13.4 4 96.7 51.6
67 6 1 0 20.84 41.681 0.199 13.17 4 238.0 307.4
68 3 0 2 20.936 41.871 0.2 13.04 2 220.9 131.0
69 3 2 -2 20.959 41.918 0.2 13.0 4 66.2 23.5
70 0 4 0 20.964 41.928 0.2 13.0 2 742.4 1475.0
71 3 3 1 21.145 42.29 0.202 12.75 4 397.0 827.6
72 6 1 -1 21.24 42.48 0.203 12.62 4 43.7 9.9
73 1 4 0 21.245 42.49 0.203 12.61 4 32.8 5.6
74 4 3 -1 21.529 43.058 0.205 12.24 4 38.8 7.6
75 3 1 2 21.614 43.227 0.206 12.14 4 348.0 605.3
76 2 2 2 21.801 43.601 0.208 11.9 4 10.9 0.6
77 5 0 -2 21.813 43.625 0.208 11.89 2 75.7 14.0
78 2 4 0 22.07 44.141 0.21 11.58 4 219.7 230.2
79 4 2 -2 22.441 44.881 0.213 11.15 4 104.6 50.2
80 5 1 -2 22.469 44.938 0.214 11.12 4 440.0 886.7
81 5 2 1 22.634 45.268 0.215 10.94 4 0.1 0.0
82 0 4 1 22.67 45.34 0.215 10.9 4 172.1 132.9
83 1 4 -1 22.722 45.445 0.216 10.84 4 1.6 0.0
84 6 2 0 22.832 45.665 0.217 10.73 4 42.6 8.0
85 1 3 -2 22.961 45.922 0.218 10.59 4 233.5 237.8
86 0 3 2 23.119 46.239 0.219 10.43 4 41.4 7.4
87 5 3 0 23.133 46.266 0.22 10.41 4 326.1 456.0
88 1 4 1 23.145 46.289 0.22 10.4 4 336.0 483.7
89 6 2 -1 23.205 46.409 0.22 10.34 4 20.8 1.8
90 4 3 1 23.25 46.5 0.221 10.29 4 9.1 0.4
91 4 0 2 23.266 46.531 0.221 10.28 2 41.2 3.6
92 2 4 -1 23.298 46.597 0.221 10.25 4 6.6 0.2
93 2 3 -2 23.325 46.65 0.221 10.22 4 60.5 15.4
94 3 4 0 23.394 46.788 0.222 10.15 4 92.6 35.8
95 3 2 2 23.553 47.106 0.223 10.0 4 26.6 2.9
96 7 0 0 23.686 47.373 0.225 9.87 2 175.4 62.5
97 5 3 -1 23.708 47.416 0.225 9.85 4 309.9 389.6
98 1 3 2 23.793 47.586 0.226 9.77 4 225.5 204.6
99 6 1 1 23.81 47.62 0.226 9.75 4 158.4 100.8
100 4 1 2 23.891 47.782 0.226 9.68 4 174.7 121.7
101 2 4 1 24.122 48.243 0.228 9.47 4 46.6 8.5
102 3 3 -2 24.193 48.387 0.229 9.41 4 283.3 311.0
103 6 0 -2 24.274 48.548 0.23 9.34 2 216.6 90.2
104 7 1 0 24.303 48.607 0.23 9.31 4 53.2 10.9
105 5 2 -2 24.355 48.71 0.231 9.26 4 73.6 20.7
106 3 4 -1 24.37 48.74 0.231 9.25 4 139.9 74.6
107 7 1 -1 24.458 48.916 0.231 9.18 4 11.2 0.5
108 6 1 -2 24.88 49.76 0.235 8.83 4 83.6 25.4
109 2 3 2 24.949 49.898 0.236 8.77 4 63.3 14.5
110 4 4 0 25.157 50.314 0.238 8.61 4 85.5 25.9
111 4 3 -2 25.528 51.056 0.241 8.32 4 119.6 49.1
112 3 4 1 25.558 51.116 0.241 8.3 4 107.8 39.8
113 6 2 1 25.621 51.241 0.242 8.26 4 229.7 179.4
114 4 2 2 25.697 51.395 0.242 8.2 4 229.6 178.0
115 5 3 1 25.704 51.407 0.242 8.2 4 400.5 541.4
116 1 1 -3 25.713 51.426 0.243 8.19 4 253.4 216.6
117 2 1 -3 25.856 51.711 0.244 8.09 4 79.2 20.9
118 6 3 0 25.884 51.768 0.244 8.07 4 18.3 1.1
119 4 4 -1 25.891 51.782 0.244 8.06 4 94.2 29.5
120 5 0 2 25.911 51.823 0.244 8.05 2 178.3 52.7
121 0 1 3 26.052 52.103 0.246 7.95 4 8.8 0.3
122 7 2 0 26.089 52.177 0.246 7.92 4 68.2 15.2
123 6 3 -1 26.223 52.447 0.247 7.83 4 155.4 77.8
124 7 2 -1 26.236 52.471 0.247 7.82 4 4.4 0.1
125 3 1 -3 26.473 52.947 0.249 7.66 4 153.0 73.9
126 5 1 2 26.49 52.98 0.249 7.65 4 90.2 25.7
127 3 3 2 26.542 53.085 0.25 7.62 4 291.6 266.8
128 6 2 -2 26.637 53.274 0.251 7.56 4 18.9 1.1
129 1 5 0 26.801 53.603 0.252 7.45 4 89.8 24.7
130 1 1 3 26.858 53.716 0.253 7.42 4 141.2 60.9
131 7 0 -2 27.03 54.06 0.254 7.31 2 156.3 36.8
132 1 4 -2 27.147 54.293 0.255 7.24 4 240.3 172.2
133 7 1 1 27.165 54.33 0.255 7.23 4 280.0 233.3
134 5 3 -2 27.28 54.559 0.256 7.16 4 241.1 171.4
135 0 4 2 27.287 54.574 0.256 7.15 4 409.6 494.2
136 5 4 0 27.299 54.599 0.256 7.15 4 92.1 25.0
137 8 0 0 27.33 54.661 0.257 7.13 2 205.4 61.9
138 4 4 1 27.403 54.806 0.257 7.08 4 9.2 0.2
139 1 2 -3 27.432 54.864 0.258 7.07 4 101.2 29.8
140 2 4 -2 27.469 54.939 0.258 7.04 4 349.0 353.3
141 2 5 0 27.498 54.997 0.258 7.03 4 30.0 2.6
142 4 1 -3 27.544 55.089 0.258 7.0 4 55.4 8.9
143 2 2 -3 27.568 55.137 0.259 6.99 4 461.5 613.0
144 7 1 -2 27.592 55.185 0.259 6.97 4 194.0 108.1
145 0 2 3 27.756 55.512 0.26 6.88 4 480.0 652.9
146 5 4 -1 27.811 55.621 0.261 6.85 4 18.1 0.9
147 8 1 -1 27.846 55.692 0.261 6.83 4 109.4 33.7
148 1 4 2 27.886 55.773 0.261 6.81 4 183.7 94.7
149 8 1 0 27.888 55.777 0.261 6.81 4 163.8 75.3
150 0 5 1 28.011 56.021 0.263 6.74 4 18.9 1.0
151 1 5 -1 28.055 56.111 0.263 6.72 4 52.1 7.5
152 2 1 3 28.105 56.209 0.263 6.69 4 179.4 88.7
153 3 2 -3 28.16 56.32 0.264 6.66 4 125.6 43.3
154 5 2 2 28.176 56.352 0.264 6.65 4 78.1 16.7
155 3 4 -2 28.245 56.489 0.265 6.61 4 143.5 56.1
156 1 5 1 28.419 56.838 0.266 6.52 4 135.1 49.1
157 6 3 1 28.452 56.905 0.266 6.5 4 255.3 174.7
158 4 3 2 28.524 57.047 0.267 6.47 4 254.4 172.4
159 1 2 3 28.529 57.058 0.267 6.47 4 92.7 22.9
160 2 5 -1 28.552 57.104 0.267 6.45 4 52.0 7.2
161 3 5 0 28.635 57.27 0.268 6.41 4 17.5 0.8
162 7 2 1 28.824 57.648 0.27 6.32 4 372.7 361.4
163 6 0 2 28.826 57.652 0.27 6.32 2 343.6 153.6
164 7 3 0 28.888 57.777 0.27 6.28 4 35.9 3.3
165 2 4 2 28.925 57.85 0.27 6.27 4 343.2 304.1
166 7 3 -1 29.026 58.052 0.271 6.22 4 61.5 9.7
167 5 1 -3 29.035 58.069 0.271 6.21 4 311.4 248.1
168 4 2 -3 29.189 58.378 0.273 6.14 4 213.5 115.3
169 7 2 -2 29.236 58.471 0.273 6.12 4 214.3 115.7
170 2 5 1 29.268 58.536 0.273 6.1 4 204.6 105.2
171 6 1 2 29.365 58.731 0.274 6.06 4 307.4 235.8
172 6 3 -2 29.402 58.803 0.274 6.04 4 21.5 1.2
173 4 4 -2 29.449 58.898 0.275 6.02 4 91.7 20.8
174 8 2 -1 29.48 58.96 0.275 6.0 4 671.4 1114.8
175 3 5 -1 29.486 58.971 0.275 6.0 4 285.7 201.8
176 8 2 0 29.521 59.042 0.275 5.99 4 36.1 3.2
177 5 4 1 29.609 59.218 0.276 5.95 4 96.1 22.6
178 2 2 3 29.729 59.459 0.277 5.89 4 124.4 37.6
179 3 1 3 29.756 59.512 0.277 5.88 4 187.5 85.2
180 6 4 0 29.773 59.546 0.278 5.87 4 220.8 117.9
181 8 0 -2 30.043 60.086 0.28 5.76 2 262.8 81.8
182 6 4 -1 30.083 60.166 0.28 5.74 4 49.5 5.8
183 1 3 -3 30.148 60.297 0.281 5.71 4 533.2 668.6
184 4 5 0 30.179 60.358 0.281 5.7 4 44.9 4.7
185 2 3 -3 30.277 60.553 0.282 5.66 4 22.3 1.2
186 3 4 2 30.375 60.75 0.283 5.62 4 102.2 24.2
187 0 3 3 30.453 60.907 0.283 5.58 4 221.1 112.4
188 3 5 1 30.535 61.07 0.284 5.55 4 195.6 87.4
189 8 1 -2 30.569 61.138 0.284 5.54 4 371.2 314.2
190 5 2 -3 30.628 61.257 0.285 5.51 4 85.8 16.7
191 8 1 1 30.689 61.378 0.285 5.49 4 262.8 156.1
192 4 5 -1 30.832 61.664 0.286 5.43 4 216.9 105.3
193 3 3 -3 30.835 61.67 0.287 5.43 4 31.6 2.2
194 5 3 2 30.85 61.7 0.287 5.43 4 164.3 60.3
195 6 1 -3 30.908 61.816 0.287 5.4 4 10.1 0.2
196 6 2 2 30.949 61.897 0.287 5.39 4 58.0 7.5
197 5 4 -2 31.053 62.105 0.288 5.35 4 148.7 48.7
198 9 0 0 31.098 62.197 0.289 5.33 2 118.1 15.3
199 1 3 3 31.184 62.369 0.289 5.3 4 184.5 74.3
200 3 2 3 31.327 62.655 0.291 5.24 4 45.5 4.5
201 9 1 -1 31.405 62.81 0.291 5.22 4 8.3 0.1
202 7 3 1 31.464 62.928 0.292 5.19 4 64.7 8.9
203 9 1 0 31.614 63.228 0.293 5.14 4 124.6 32.8
204 4 1 3 31.776 63.552 0.294 5.08 4 4.1 0.0
205 4 3 -3 31.811 63.621 0.295 5.07 4 70.9 10.5
206 7 3 -2 31.855 63.71 0.295 5.06 4 91.2 17.3
207 1 5 -2 31.96 63.92 0.296 5.02 4 35.1 2.5
208 7 0 2 31.985 63.97 0.296 5.01 2 237.7 58.3
209 0 5 2 32.087 64.174 0.297 4.98 4 13.1 0.4
210 8 3 -1 32.087 64.174 0.297 4.98 4 244.4 122.4
211 5 5 0 32.098 64.196 0.297 4.97 4 692.0 980.8
212 8 2 -2 32.117 64.234 0.297 4.97 4 74.7 11.4
213 8 3 0 32.126 64.252 0.297 4.96 4 202.4 83.8
214 6 4 1 32.138 64.277 0.297 4.96 4 154.8 48.9
215 4 5 1 32.192 64.384 0.298 4.94 4 71.4 10.4
216 4 4 2 32.205 64.409 0.298 4.94 4 184.6 69.3
217 8 2 1 32.234 64.468 0.298 4.93 4 309.0 193.7
218 2 5 -2 32.252 64.505 0.298 4.92 4 71.6 10.4
219 2 3 3 32.325 64.65 0.299 4.9 4 30.9 1.9
220 6 2 -3 32.447 64.894 0.3 4.86 4 579.6 672.2
221 0 6 0 32.458 64.915 0.3 4.85 2 373.1 139.2
222 7 1 2 32.493 64.986 0.3 4.84 4 276.1 152.0
223 7 4 0 32.545 65.089 0.301 4.83 4 278.2 153.9
224 5 5 -1 32.562 65.124 0.301 4.82 4 160.3 51.0
225 1 5 2 32.631 65.262 0.301 4.8 4 10.7 0.2
226 1 6 0 32.666 65.331 0.302 4.79 4 231.2 105.4
227 7 4 -1 32.673 65.346 0.302 4.79 4 142.5 40.0
228 9 2 -1 32.931 65.861 0.304 4.71 4 41.4 3.3
229 3 5 -2 32.958 65.916 0.304 4.7 4 315.7 192.8
230 6 4 -2 33.024 66.048 0.305 4.68 4 227.1 99.4
231 7 1 -3 33.132 66.264 0.306 4.65 4 296.8 168.6
232 9 2 0 33.135 66.27 0.306 4.64 4 118.6 26.9
233 5 3 -3 33.183 66.367 0.306 4.63 4 403.7 310.7
234 2 6 0 33.286 66.571 0.307 4.6 4 31.7 1.9
235 4 2 3 33.293 66.586 0.307 4.6 4 300.1 170.6
236 9 0 -2 33.295 66.591 0.307 4.6 2 120.3 13.7
237 6 3 2 33.49 66.98 0.308 4.54 4 137.9 35.6
238 2 5 2 33.581 67.162 0.309 4.51 4 29.2 1.6
239 1 4 -3 33.725 67.449 0.31 4.47 4 147.6 40.1
240 0 6 1 33.744 67.488 0.311 4.47 4 509.2 477.3
241 1 6 -1 33.784 67.569 0.311 4.46 4 168.7 52.3
242 9 1 -2 33.793 67.586 0.311 4.46 4 24.2 1.1
243 2 4 -3 33.845 67.691 0.311 4.44 4 205.3 77.1
244 3 3 3 33.853 67.707 0.311 4.44 4 379.6 263.4
245 7 2 2 33.993 67.985 0.313 4.4 4 81.2 12.0
246 0 4 3 34.012 68.024 0.313 4.4 4 90.4 14.8
247 4 5 -2 34.064 68.127 0.313 4.38 4 282.0 143.5
248 1 6 1 34.111 68.223 0.313 4.37 4 16.7 0.5
249 5 1 3 34.135 68.27 0.314 4.36 4 371.1 247.5
250 5 5 1 34.211 68.422 0.314 4.34 4 179.9 57.9
251 2 6 -1 34.231 68.463 0.314 4.34 4 214.6 82.3
252 3 6 0 34.306 68.613 0.315 4.32 4 122.7 26.8
253 6 5 0 34.363 68.726 0.316 4.3 4 421.0 314.1
254 3 4 -3 34.372 68.744 0.316 4.3 4 21.3 0.8
255 5 4 2 34.386 68.772 0.316 4.3 4 288.0 146.8
256 9 1 1 34.396 68.792 0.316 4.29 4 158.0 44.2
257 2 0 -4 34.492 68.985 0.317 4.27 2 332.2 97.0
258 1 0 -4 34.535 69.07 0.317 4.26 2 144.4 18.3
259 8 3 -2 34.613 69.226 0.318 4.24 4 170.9 51.0
260 7 2 -3 34.618 69.236 0.318 4.24 4 21.7 0.8
261 6 5 -1 34.65 69.3 0.318 4.23 4 66.7 7.8
262 1 4 3 34.702 69.404 0.318 4.22 4 111.5 21.6
263 8 3 1 34.725 69.451 0.318 4.21 4 269.2 125.7
264 3 0 -4 34.853 69.706 0.319 4.18 2 304.5 79.8
265 2 6 1 34.88 69.76 0.32 4.17 4 358.1 220.4
266 3 5 2 34.921 69.842 0.32 4.16 4 347.7 207.4
267 6 3 -3 34.931 69.862 0.32 4.16 4 57.2 5.6
268 7 4 1 34.967 69.934 0.32 4.15 4 9.8 0.2
269 0 0 4 34.981 69.961 0.32 4.15 2 510.1 222.3
270 2 1 -4 34.982 69.964 0.32 4.15 4 55.4 5.2
271 10 0 0 35.023 70.045 0.321 4.14 2 313.7 83.9
272 1 1 -4 35.024 70.049 0.321 4.14 4 174.4 51.8
273 3 6 -1 35.078 70.156 0.321 4.13 4 79.1 10.6
274 10 1 -1 35.15 70.301 0.322 4.11 4 346.9 203.7
275 9 2 -2 35.266 70.531 0.323 4.08 4 25.1 1.1
276 4 4 -3 35.296 70.592 0.323 4.08 4 75.0 9.4
277 7 4 -2 35.338 70.676 0.323 4.07 4 51.3 4.4
278 3 1 -4 35.34 70.681 0.323 4.06 4 309.0 159.9
279 8 0 2 35.382 70.764 0.324 4.06 2 311.0 80.8
280 9 3 -1 35.398 70.796 0.324 4.05 4 49.7 4.1
281 0 1 4 35.467 70.934 0.324 4.04 4 117.9 23.1
282 10 1 0 35.509 71.018 0.325 4.03 4 187.9 58.6
283 5 5 -2 35.552 71.105 0.325 4.02 4 402.1 267.5
284 8 4 -1 35.559 71.118 0.325 4.02 4 21.0 0.7
285 9 3 0 35.595 71.19 0.325 4.01 4 19.5 0.6
286 8 4 0 35.596 71.192 0.325 4.01 4 253.6 106.1
287 5 2 3 35.601 71.202 0.325 4.01 4 483.1 385.1
288 4 0 -4 35.612 71.223 0.325 4.0 2 44.2 1.6
289 8 1 -3 35.681 71.362 0.326 3.99 4 205.0 69.0
290 4 6 0 35.712 71.424 0.326 3.98 4 42.5 3.0
291 4 3 3 35.748 71.496 0.327 3.97 4 37.1 2.3
292 2 4 3 35.785 71.57 0.327 3.97 4 40.1 2.6
293 1 0 4 35.822 71.645 0.327 3.96 2 73.9 4.4
294 9 2 1 35.857 71.715 0.327 3.95 4 22.0 0.8
295 8 1 2 35.866 71.732 0.328 3.95 4 174.2 49.3
296 3 6 1 36.039 72.078 0.329 3.91 4 113.3 20.7
297 4 1 -4 36.095 72.189 0.329 3.9 4 50.8 4.1
298 1 1 4 36.304 72.608 0.331 3.86 4 113.8 20.6
299 4 6 -1 36.312 72.624 0.331 3.85 4 6.4 0.1
300 7 3 2 36.426 72.852 0.332 3.83 4 93.3 13.7
301 2 2 -4 36.433 72.866 0.332 3.83 4 91.8 13.3
302 1 2 -4 36.475 72.949 0.332 3.82 4 118.9 22.3
303 6 5 1 36.571 73.141 0.333 3.8 4 89.6 12.6
304 10 2 -1 36.599 73.197 0.333 3.8 4 288.4 130.1
305 5 4 -3 36.605 73.209 0.333 3.8 4 43.1 2.9
306 4 5 2 36.633 73.266 0.334 3.79 4 90.2 12.7
307 5 0 -4 36.758 73.516 0.335 3.77 2 243.4 45.9
308 3 2 -4 36.785 73.571 0.335 3.76 4 70.0 7.6
309 10 0 -2 36.789 73.578 0.335 3.76 2 397.1 122.1
310 6 1 3 36.813 73.626 0.335 3.76 4 52.8 4.3
311 6 4 2 36.899 73.797 0.336 3.74 4 282.5 122.9
312 0 2 4 36.91 73.82 0.336 3.74 4 127.7 25.1
313 10 2 0 36.951 73.902 0.336 3.73 4 99.7 15.3
314 7 5 0 36.953 73.907 0.336 3.73 4 101.8 15.9
315 7 3 -3 37.033 74.067 0.337 3.71 4 159.4 38.8
316 2 0 4 37.049 74.098 0.337 3.71 2 269.9 55.6
317 7 5 -1 37.075 74.149 0.337 3.71 4 118.3 21.4
318 8 2 -3 37.121 74.241 0.337 3.7 4 180.5 49.6
319 5 1 -4 37.235 74.47 0.338 3.68 4 342.7 177.8
320 3 4 3 37.247 74.494 0.338 3.67 4 142.9 30.9
321 10 1 -2 37.266 74.531 0.338 3.67 4 160.7 39.1
322 8 2 2 37.303 74.606 0.339 3.66 4 104.2 16.4
323 1 6 -2 37.358 74.716 0.339 3.65 4 36.1 2.0
324 6 5 -2 37.407 74.814 0.34 3.65 4 128.0 24.6
325 0 6 2 37.476 74.952 0.34 3.63 4 51.1 3.9
326 5 6 0 37.486 74.973 0.34 3.63 4 43.0 2.8
327 2 1 4 37.524 75.049 0.34 3.62 4 257.0 98.6
328 4 2 -4 37.528 75.056 0.341 3.62 4 16.3 0.4
329 4 6 1 37.574 75.148 0.341 3.62 4 116.9 20.3
330 2 6 -2 37.63 75.26 0.341 3.61 4 86.5 11.1
331 9 3 -2 37.664 75.328 0.342 3.6 4 59.4 5.2
332 1 2 4 37.734 75.469 0.342 3.59 4 74.2 8.1
333 5 6 -1 37.92 75.84 0.344 3.56 4 275.6 111.3
334 8 4 -2 37.978 75.955 0.344 3.55 4 408.5 243.9
335 1 6 2 37.984 75.968 0.344 3.55 4 309.8 140.2
336 5 3 3 37.991 75.982 0.344 3.55 4 209.9 64.3
337 1 5 -3 38.072 76.143 0.345 3.53 4 113.9 18.9
338 8 4 1 38.086 76.172 0.345 3.53 4 24.4 0.9
339 2 5 -3 38.187 76.373 0.346 3.51 4 130.4 24.6
340 6 2 3 38.237 76.473 0.346 3.51 4 255.0 93.9
341 9 3 1 38.241 76.482 0.346 3.5 4 125.7 22.8
342 6 0 -4 38.28 76.559 0.346 3.5 2 220.9 35.2
343 6 4 -3 38.284 76.569 0.346 3.5 4 63.4 5.8
344 3 6 -2 38.291 76.581 0.346 3.5 4 223.3 71.8
345 10 1 1 38.313 76.626 0.347 3.49 4 95.3 13.1
346 0 5 3 38.345 76.69 0.347 3.49 4 135.1 26.2
347 9 1 -3 38.543 77.087 0.348 3.46 4 82.9 9.8
348 3 0 4 38.648 77.297 0.349 3.44 2 107.2 8.1
349 5 2 -4 38.653 77.306 0.349 3.44 4 120.6 20.6
350 10 2 -2 38.683 77.367 0.349 3.44 4 2.7 0.0
351 3 5 -3 38.689 77.377 0.349 3.44 4 188.9 50.5
352 5 5 2 38.702 77.404 0.35 3.43 4 79.9 9.0
353 9 4 -1 38.736 77.471 0.35 3.43 4 34.4 1.7
354 6 1 -4 38.75 77.5 0.35 3.43 4 123.3 21.4
355 2 3 -4 38.804 77.608 0.35 3.42 4 70.4 7.0
356 1 3 -4 38.845 77.689 0.351 3.41 4 62.3 5.4
357 2 6 2 38.877 77.754 0.351 3.41 4 150.1 31.6
358 9 4 0 38.927 77.853 0.351 3.4 4 37.5 2.0
359 2 2 4 38.939 77.878 0.351 3.4 4 120.1 20.2
360 1 7 0 38.958 77.915 0.351 3.4 4 212.6 63.2
361 10 3 -1 38.966 77.932 0.352 3.39 4 237.3 78.7
362 1 5 3 39.004 78.009 0.352 3.39 4 190.6 50.7
363 9 0 2 39.03 78.059 0.352 3.39 2 37.1 1.0
364 4 4 3 39.075 78.149 0.352 3.38 4 180.0 45.1
365 11 1 -1 39.113 78.227 0.353 3.37 4 107.3 16.0
366 3 1 4 39.117 78.235 0.353 3.37 4 304.5 128.8
367 11 0 0 39.145 78.291 0.353 3.37 2 538.2 201.0
368 3 3 -4 39.149 78.298 0.353 3.37 4 274.5 104.6
369 7 5 1 39.258 78.516 0.354 3.35 4 23.6 0.8
370 0 3 4 39.271 78.542 0.354 3.35 4 88.1 10.7
371 10 3 0 39.311 78.623 0.354 3.35 4 172.9 41.2
372 4 6 -2 39.333 78.666 0.354 3.34 4 13.2 0.2
373 5 6 1 39.473 78.945 0.355 3.32 4 122.6 20.6
374 8 3 -3 39.478 78.955 0.355 3.32 4 273.0 102.0
375 9 1 2 39.497 78.995 0.356 3.32 4 108.8 16.2
376 2 7 0 39.535 79.071 0.356 3.31 4 164.9 37.1
377 4 5 -3 39.574 79.147 0.356 3.31 4 203.2 56.3
378 11 1 0 39.613 79.225 0.356 3.3 4 188.8 48.5
379 7 5 -2 39.614 79.228 0.356 3.3 4 230.1 72.0
380 6 6 0 39.616 79.233 0.356 3.3 4 83.6 9.5
381 8 3 2 39.656 79.312 0.357 3.3 4 107.0 15.6
382 10 2 1 39.719 79.438 0.357 3.29 4 266.3 96.1
383 7 4 2 39.733 79.465 0.357 3.29 4 69.9 6.6
384 7 1 3 39.803 79.607 0.358 3.28 4 26.9 1.0
385 8 5 -1 39.826 79.653 0.358 3.28 4 57.8 4.5
386 8 5 0 39.862 79.724 0.358 3.27 4 66.1 5.9
387 4 3 -4 39.877 79.754 0.358 3.27 4 64.6 5.6
388 6 6 -1 39.889 79.778 0.358 3.27 4 186.3 46.7
389 9 2 -3 39.947 79.894 0.359 3.26 4 128.4 22.2
390 0 7 1 39.965 79.93 0.359 3.26 4 157.2 33.2
391 1 7 -1 40.003 80.005 0.359 3.25 4 40.8 2.2
392 2 5 3 40.044 80.088 0.36 3.25 4 132.8 23.6
393 1 3 4 40.08 80.16 0.36 3.24 4 51.3 3.5
394 3 6 2 40.147 80.293 0.36 3.24 4 134.6 24.2
395 6 2 -4 40.151 80.303 0.36 3.24 4 3.8 0.0
396 7 0 -4 40.165 80.331 0.361 3.23 2 38.4 1.0
397 1 7 1 40.31 80.62 0.362 3.22 4 69.1 6.3
398 7 4 -3 40.324 80.647 0.362 3.22 4 107.1 15.2
399 2 7 -1 40.423 80.846 0.362 3.2 4 263.9 91.9
400 3 7 0 40.494 80.987 0.363 3.19 4 80.4 8.5
401 11 2 -1 40.512 81.023 0.363 3.19 4 258.7 88.0
402 3 2 4 40.516 81.031 0.363 3.19 4 0.3 0.0
403 11 0 -2 40.543 81.085 0.363 3.19 2 82.2 4.4
404 6 3 3 40.574 81.147 0.364 3.19 4 166.7 36.5
405 4 0 4 40.61 81.22 0.364 3.18 2 130.5 11.2
406 7 1 -4 40.63 81.259 0.364 3.18 4 246.8 79.8
407 5 6 -2 40.749 81.499 0.365 3.17 4 4.4 0.0
408 5 5 -3 40.835 81.671 0.366 3.16 4 279.7 101.7
409 9 2 2 40.892 81.784 0.366 3.15 4 41.3 2.2
410 9 4 -2 40.939 81.878 0.366 3.14 4 47.6 2.9
411 5 3 -4 40.984 81.967 0.367 3.14 4 216.1 60.4
412 11 1 -2 41.006 82.012 0.367 3.14 4 133.2 22.9
413 11 2 0 41.007 82.013 0.367 3.14 4 72.2 6.7
414 10 3 -2 41.014 82.027 0.367 3.14 4 167.6 36.3
415 2 7 1 41.036 82.072 0.367 3.13 4 56.3 4.1
416 4 1 4 41.073 82.147 0.367 3.13 4 151.8 29.7
417 6 5 2 41.12 82.24 0.368 3.13 4 243.8 76.5
418 7 2 3 41.196 82.392 0.368 3.12 4 152.6 29.9
419 3 7 -1 41.224 82.447 0.368 3.11 4 346.3 153.9
420 5 4 3 41.259 82.518 0.369 3.11 4 56.0 4.0
421 2 3 4 41.266 82.531 0.369 3.11 4 205.1 53.9
422 3 5 3 41.458 82.916 0.37 3.09 4 201.4 51.6
423 9 4 1 41.504 83.008 0.37 3.09 4 106.3 14.4
424 10 1 -3 41.722 83.444 0.372 3.06 4 110.2 15.3
425 6 6 1 41.727 83.454 0.372 3.06 4 132.2 22.0
426 4 6 2 41.787 83.574 0.372 3.06 4 206.8 53.9
427 4 7 0 41.827 83.653 0.373 3.05 4 259.4 84.6
428 7 2 -4 42.016 84.033 0.374 3.04 4 4.2 0.0
429 10 3 1 42.035 84.071 0.374 3.04 4 150.0 28.1
430 2 4 -4 42.056 84.111 0.374 3.03 4 406.7 206.6
431 1 4 -4 42.096 84.192 0.375 3.03 4 59.0 4.3
432 7 6 0 42.096 84.193 0.375 3.03 4 53.2 3.5
433 3 7 1 42.139 84.278 0.375 3.03 4 244.1 74.3
434 8 5 -2 42.169 84.337 0.375 3.02 4 441.5 242.7
435 7 6 -1 42.213 84.427 0.376 3.02 4 40.7 2.1
436 10 4 -1 42.215 84.43 0.376 3.02 4 183.5 41.9
437 9 3 -3 42.261 84.522 0.376 3.01 4 166.3 34.3
438 8 5 1 42.274 84.549 0.376 3.01 4 120.2 17.9
439 11 2 -2 42.391 84.781 0.377 3.0 4 34.5 1.5
440 3 4 -4 42.395 84.79 0.377 3.0 4 130.4 21.0
441 4 7 -1 42.4 84.801 0.377 3.0 4 50.6 3.2
442 8 0 -4 42.409 84.819 0.377 3.0 2 247.9 38.0
443 4 2 4 42.457 84.915 0.377 3.0 4 74.4 6.8
444 6 3 -4 42.463 84.927 0.377 3.0 4 41.6 2.1
445 6 5 -3 42.468 84.936 0.377 3.0 4 77.1 7.3
446 11 1 1 42.485 84.969 0.378 3.0 4 157.8 30.7
447 0 4 4 42.515 85.03 0.378 2.99 4 288.5 102.6
448 6 6 -2 42.535 85.07 0.378 2.99 4 40.7 2.0
449 10 4 0 42.555 85.109 0.378 2.99 4 385.5 183.0
450 8 4 -3 42.718 85.436 0.379 2.98 4 27.6 0.9
451 11 3 -1 42.82 85.64 0.38 2.97 4 156.5 29.9
452 3 3 4 42.824 85.647 0.38 2.97 4 302.2 111.6
453 8 1 -4 42.869 85.738 0.38 2.96 4 83.0 8.4
454 8 4 2 42.894 85.788 0.38 2.96 4 360.7 158.7
455 9 5 -1 42.909 85.818 0.381 2.96 4 150.6 27.7
456 5 0 4 42.93 85.86 0.381 2.96 2 392.7 94.0
457 10 0 2 42.959 85.919 0.381 2.96 2 14.9 0.1
458 9 5 0 43.096 86.192 0.382 2.95 4 71.0 6.1
459 10 2 -3 43.103 86.206 0.382 2.95 4 428.5 222.8
460 4 4 -4 43.112 86.224 0.382 2.95 4 31.0 1.2
461 8 1 3 43.116 86.231 0.382 2.95 4 152.6 28.2
462 1 6 -3 43.18 86.36 0.383 2.94 4 1.6 0.0
463 9 3 2 43.197 86.394 0.383 2.94 4 80.2 7.8
464 4 5 3 43.241 86.482 0.383 2.94 4 155.7 29.3
465 2 6 -3 43.292 86.584 0.383 2.93 4 309.0 115.3
466 11 3 0 43.311 86.621 0.383 2.93 4 193.4 45.1
467 1 4 4 43.312 86.624 0.383 2.93 4 11.4 0.2
468 12 1 -1 43.343 86.685 0.384 2.93 4 31.2 1.2
469 5 1 4 43.389 86.778 0.384 2.93 4 173.4 36.2
470 1 7 -2 43.406 86.813 0.384 2.92 4 76.4 7.0
471 10 1 2 43.419 86.838 0.384 2.92 4 306.0 112.7
472 0 6 3 43.447 86.893 0.384 2.92 4 430.0 222.5
473 7 3 3 43.498 86.997 0.385 2.92 4 149.6 26.9
474 0 7 2 43.521 87.042 0.385 2.92 4 53.6 3.4
475 12 0 0 43.526 87.051 0.385 2.92 2 94.0 5.3
476 5 7 0 43.531 87.062 0.385 2.92 4 187.9 42.4
477 4 7 1 43.616 87.231 0.386 2.91 4 79.5 7.6
478 2 7 -2 43.67 87.34 0.386 2.91 4 261.8 82.1
479 3 6 -3 43.782 87.563 0.387 2.9 4 6.4 0.0
480 5 6 2 43.795 87.59 0.387 2.9 4 23.0 0.6
481 6 4 3 43.8 87.599 0.387 2.9 4 59.6 4.2
482 11 2 1 43.863 87.726 0.387 2.89 4 351.5 147.2
483 7 5 2 43.888 87.775 0.388 2.89 4 383.3 174.9
484 5 7 -1 43.951 87.901 0.388 2.89 4 329.0 128.7
485 12 1 0 43.984 87.969 0.388 2.89 4 201.2 48.1
486 1 7 2 44.013 88.026 0.388 2.88 4 50.9 3.1
487 1 6 3 44.09 88.181 0.389 2.88 4 82.9 8.2
488 5 4 -4 44.206 88.411 0.39 2.87 4 74.7 6.6
489 10 4 -2 44.235 88.47 0.39 2.87 4 238.5 67.3
490 8 2 -4 44.246 88.493 0.39 2.87 4 22.4 0.6
491 3 7 -2 44.311 88.622 0.39 2.87 4 221.0 57.7
492 7 3 -4 44.314 88.627 0.391 2.87 4 137.0 22.1
493 7 6 1 44.339 88.678 0.391 2.86 4 309.8 113.2
494 7 5 -3 44.47 88.94 0.392 2.86 4 11.3 0.2
495 2 4 4 44.485 88.97 0.392 2.86 4 322.2 122.1
496 8 2 3 44.492 88.984 0.392 2.86 4 231.8 63.2
497 12 0 -2 44.598 89.196 0.392 2.85 2 49.1 1.4
498 4 6 -3 44.648 89.297 0.393 2.85 4 13.0 0.2
499 11 3 -2 44.686 89.372 0.393 2.84 4 89.2 9.3
500 7 6 -2 44.688 89.376 0.393 2.84 4 217.9 55.6
501 12 2 -1 44.719 89.437 0.393 2.84 4 71.7 6.0
502 4 3 4 44.753 89.506 0.394 2.84 4 31.0 1.1
503 5 2 4 44.765 89.53 0.394 2.84 4 7.9 0.1
504 10 2 2 44.795 89.59 0.394 2.84 4 65.7 5.1
505 2 7 2 44.882 89.765 0.394 2.83 4 166.3 32.3
506 8 6 -1 44.897 89.794 0.395 2.83 4 251.8 74.0
507 8 6 0 44.932 89.864 0.395 2.83 4 8.2 0.1
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 1 0 0 3.29 6.58 15.58566 586.3 13.0 13.2 5.5
2 1 1 0 6.101 12.201 8.41654 162.2 3.6 3.6 5.6
3 2 0 0 6.591 13.182 7.79283 267.7 6.0 6.0 5.6
4 2 1 0 8.367 16.734 6.1468 58.1 1.3 1.3 5.6
5 1 1 -1 9.838 19.675 5.23516 174.0 3.9 3.9 5.6
6 1 2 0 10.829 21.657 4.761 71.2 1.6 1.6 5.6
7 3 1 0 11.187 22.375 4.61019 861.4 19.2 19.2 5.6
8 2 2 0 12.272 24.543 4.20827 123.4 2.7 2.7 5.6
9 2 1 1 12.522 25.043 4.12558 59.8 1.3 1.3 5.6
10 3 1 -1 12.954 25.908 3.9901 1062.7 23.6 23.7 5.6
11 0 2 1 13.251 26.503 3.90209 4493.6 100.0 100.0 5.6
12 2 2 -1 14.231 28.461 3.6386 2025.3 45.1 45.0 5.6
13 3 2 0 14.376 28.752 3.60257 228.3 5.1 5.1 5.6
14 3 1 1 14.9 29.8 3.47857 1486.8 33.1 33.0 5.6
15 2 2 1 15.454 30.909 3.35667 1086.6 24.2 24.1 5.6
16 1 3 0 15.927 31.853 3.25962 160.9 3.6 3.6 5.6
17 1 0 -2 16.448 32.896 3.15898 609.4 13.6 13.5 5.6
18 0 0 2 16.658 33.315 3.12039 1422.0 31.6 31.5 5.6
19 2 0 -2 16.927 33.853 3.07222 1130.4 25.2 25.0 5.7
20 2 3 0 16.969 33.938 3.06473 330.8 7.4 7.3 5.7
21 1 1 -2 17.274 34.548 3.01225 297.6 6.6 6.6 5.7
22 5 1 0 17.492 34.983 2.97591 3973.3 88.4 87.8 5.7
23 1 0 2 17.533 35.065 2.96918 238.5 5.3 5.3 5.7
24 4 1 1 17.639 35.277 2.95187 241.0 5.4 5.3 5.7
25 0 3 1 17.711 35.422 2.94021 657.4 14.6 14.5 5.7
26 1 3 -1 17.775 35.55 2.92995 181.9 4.0 4.0 5.7
27 4 2 -1 17.919 35.838 2.90715 68.1 1.5 1.5 5.7
28 3 0 -2 18.044 36.088 2.88769 406.9 9.1 9.0 5.7
29 5 1 -1 18.21 36.421 2.8622 2077.0 46.2 45.8 5.7
30 1 1 2 18.315 36.631 2.84636 523.3 11.6 11.5 5.7
31 2 3 -1 18.476 36.953 2.82243 552.2 12.3 12.2 5.7
32 3 3 0 18.592 37.183 2.80551 761.9 17.0 16.8 5.7
33 3 1 -2 18.808 37.617 2.77433 761.2 16.9 16.8 5.7
34 2 0 2 18.993 37.986 2.74835 1285.7 28.6 28.3 5.7
35 2 3 1 19.462 38.924 2.6846 233.8 5.2 5.1 5.7
36 4 0 -2 19.707 39.414 2.65252 63.6 1.4 1.4 5.7
37 5 2 0 19.764 39.528 2.64519 1839.4 40.9 40.5 5.7
38 4 2 1 19.897 39.793 2.62827 218.4 4.9 4.8 5.7
39 6 0 0 20.141 40.283 2.59761 261.4 5.8 5.7 5.7
40 5 2 -1 20.414 40.828 2.56438 783.7 17.4 17.2 5.7
41 1 2 2 20.509 41.019 2.55297 77.7 1.7 1.7 5.7
42 5 1 1 20.627 41.254 2.53903 478.1 10.6 10.5 5.7
43 4 3 0 20.679 41.358 2.53293 51.6 1.1 1.1 5.7
44 6 1 0 20.84 41.681 2.51417 307.4 6.8 6.7 5.7
45 3 0 2 20.936 41.871 2.50325 154.5 3.4 3.4 5.7
46 0 4 0 20.964 41.928 2.5 1475.0 32.8 32.4 5.7
47 3 3 1 21.145 42.29 2.47961 827.6 18.4 18.2 5.7
48 3 1 2 21.614 43.227 2.42833 605.3 13.5 13.3 5.7
49 2 4 0 22.07 44.141 2.3805 230.2 5.1 5.0 5.7
50 5 1 -2 22.469 44.938 2.34038 936.9 20.8 20.5 5.7
51 0 4 1 22.67 45.34 2.32072 132.9 3.0 2.9 5.7
52 1 3 -2 22.961 45.922 2.2929 237.8 5.3 5.2 5.7
53 1 4 1 23.145 46.289 2.27568 947.1 21.1 20.7 5.7
54 5 3 -1 23.708 47.416 2.2246 452.1 10.1 9.9 5.7
55 1 3 2 23.793 47.586 2.21714 305.4 6.8 6.7 5.7
56 4 1 2 23.891 47.782 2.20857 121.7 2.7 2.7 5.7
57 3 3 -2 24.193 48.387 2.18258 311.0 6.9 6.8 5.7
58 6 0 -2 24.274 48.548 2.17576 90.2 2.0 2.0 5.7
59 3 4 -1 24.37 48.74 2.16772 95.3 2.1 2.1 5.7
60 4 3 -2 25.528 51.056 2.07556 49.1 1.1 1.1 5.8
61 6 2 1 25.621 51.241 2.06854 179.4 4.0 3.9 5.8
62 1 1 -3 25.713 51.426 2.0616 935.9 20.8 20.3 5.8
63 5 0 2 25.911 51.823 2.04691 82.2 1.8 1.8 5.8
64 6 3 -1 26.223 52.447 2.02425 77.9 1.7 1.7 5.8
65 3 1 -3 26.473 52.947 2.00649 99.6 2.2 2.2 5.8
66 3 3 2 26.542 53.085 2.00166 266.8 5.9 5.8 5.8
67 1 1 3 26.858 53.716 1.97985 60.9 1.4 1.3 5.8
68 7 1 1 27.165 54.33 1.95916 405.4 9.0 8.8 5.8
69 0 4 2 27.287 54.574 1.95105 690.6 15.4 14.9 5.8
70 8 0 0 27.33 54.661 1.94821 61.9 1.4 1.3 5.8
71 2 4 -2 27.469 54.939 1.9391 353.3 7.9 7.6 5.8
72 2 2 -3 27.568 55.137 1.93269 730.0 16.2 15.8 5.8
73 0 2 3 27.756 55.512 1.92066 652.9 14.5 14.1 5.8
74 1 4 2 27.886 55.773 1.91239 169.9 3.8 3.7 5.8
75 2 1 3 28.105 56.209 1.89873 88.7 2.0 1.9 5.8
76 3 2 -3 28.16 56.32 1.8953 60.0 1.3 1.3 5.8
77 3 4 -2 28.245 56.489 1.89009 56.1 1.2 1.2 5.8
78 1 5 1 28.419 56.838 1.87945 49.1 1.1 1.1 5.8
79 6 3 1 28.452 56.905 1.87743 174.7 3.9 3.8 5.8
80 4 3 2 28.524 57.047 1.87313 202.4 4.5 4.4 5.8
81 7 2 1 28.824 57.648 1.85526 515.0 11.5 11.1 5.8
82 2 4 2 28.925 57.85 1.84935 304.1 6.8 6.5 5.8
83 5 1 -3 29.035 58.069 1.84296 257.8 5.7 5.5 5.8
84 4 2 -3 29.189 58.378 1.83406 115.3 2.6 2.5 5.8
85 7 2 -2 29.236 58.471 1.8314 115.7 2.6 2.5 5.8
86 2 5 1 29.268 58.536 1.82955 105.2 2.3 2.3 5.8
87 6 1 2 29.365 58.731 1.82402 235.8 5.2 5.1 5.8
88 8 2 -1 29.48 58.96 1.81757 1316.7 29.3 28.3 5.8
89 3 1 3 29.756 59.512 1.80223 240.7 5.4 5.2 5.8
90 8 0 -2 30.043 60.086 1.7866 81.8 1.8 1.8 5.8
91 1 3 -3 30.148 60.297 1.78094 668.6 14.9 14.3 5.8
92 0 3 3 30.453 60.907 1.76479 112.4 2.5 2.4 5.8
93 3 5 1 30.535 61.07 1.76052 87.4 1.9 1.9 5.8
94 8 1 -2 30.569 61.138 1.75875 314.2 7.0 6.7 5.8
95 8 1 1 30.689 61.378 1.75254 156.1 3.5 3.3 5.8
96 4 5 -1 30.832 61.664 1.74522 167.8 3.7 3.6 5.8
97 5 4 -2 31.053 62.105 1.73404 48.7 1.1 1.0 5.8
98 1 3 3 31.184 62.369 1.72744 74.3 1.7 1.6 5.8
99 7 0 2 31.985 63.97 1.68864 60.9 1.4 1.3 5.9
100 5 5 0 32.098 64.196 1.68331 1103.2 24.6 23.5 5.9
101 6 4 1 32.138 64.277 1.68142 144.1 3.2 3.1 5.9
102 8 2 1 32.234 64.468 1.67698 283.8 6.3 6.0 5.9
103 6 2 -3 32.447 64.894 1.66715 811.4 18.1 17.3 5.9
104 7 1 2 32.493 64.986 1.66506 152.0 3.4 3.2 5.9
105 7 4 0 32.545 65.089 1.6627 204.9 4.6 4.4 5.9
106 1 6 0 32.666 65.331 1.65722 145.5 3.2 3.1 5.9
107 3 5 -2 32.958 65.916 1.64416 196.1 4.4 4.2 5.9
108 6 4 -2 33.024 66.048 1.64124 99.4 2.2 2.1 5.9
109 7 1 -3 33.132 66.264 1.63651 195.5 4.4 4.2 5.9
110 5 3 -3 33.183 66.367 1.63426 310.7 6.9 6.6 5.9
111 9 0 -2 33.295 66.591 1.62939 186.2 4.1 4.0 5.9
112 0 6 1 33.744 67.488 1.61023 517.4 11.5 11.0 5.9
113 1 6 -1 33.784 67.569 1.60854 53.3 1.2 1.1 5.9
114 3 3 3 33.853 67.707 1.60565 340.5 7.6 7.2 5.9
115 4 5 -2 34.064 68.127 1.59693 143.5 3.2 3.0 5.9
116 5 1 3 34.135 68.27 1.59399 247.5 5.5 5.2 5.9
117 2 6 -1 34.231 68.463 1.59004 140.2 3.1 3.0 5.9
118 6 5 0 34.363 68.726 1.58471 461.7 10.3 9.8 5.9
119 2 0 -4 34.492 68.985 1.57949 97.0 2.2 2.1 5.9
120 8 3 -2 34.613 69.226 1.57468 51.8 1.2 1.1 5.9
121 8 3 1 34.725 69.451 1.57021 147.3 3.3 3.1 5.9
122 2 6 1 34.88 69.76 1.56412 300.2 6.7 6.3 5.9
123 3 5 2 34.921 69.842 1.56253 213.0 4.7 4.5 5.9
124 0 0 4 34.981 69.961 1.56019 227.6 5.1 4.8 5.9
125 10 0 0 35.023 70.045 1.55857 135.7 3.0 2.9 5.9
126 10 1 -1 35.15 70.301 1.55362 203.7 4.5 4.3 5.9
127 3 1 -4 35.34 70.681 1.54635 164.3 3.7 3.5 5.9
128 8 0 2 35.382 70.764 1.54477 84.9 1.9 1.8 5.9
129 10 1 0 35.509 71.018 1.53997 58.6 1.3 1.2 5.9
130 5 5 -2 35.552 71.105 1.53834 268.2 6.0 5.7 5.9
131 5 2 3 35.601 71.202 1.5365 492.9 11.0 10.4 5.9
132 8 1 -3 35.681 71.362 1.53352 69.0 1.5 1.5 5.9
133 8 1 2 35.866 71.732 1.52666 49.3 1.1 1.0 5.9
134 10 2 -1 36.599 73.197 1.50025 142.7 3.2 3.0 6.0
135 5 0 -4 36.758 73.516 1.49466 53.5 1.2 1.1 6.0
136 10 0 -2 36.789 73.578 1.49359 126.4 2.8 2.7 6.0
137 6 4 2 36.899 73.797 1.48977 148.0 3.3 3.1 6.0
138 2 0 4 37.049 74.098 1.48459 115.9 2.6 2.4 6.0
139 8 2 -3 37.121 74.241 1.48213 49.6 1.1 1.0 6.0
140 5 1 -4 37.235 74.47 1.47824 208.8 4.6 4.4 6.0
141 2 1 4 37.524 75.049 1.46849 99.0 2.2 2.1 6.0
142 5 6 -1 37.92 75.84 1.45545 111.3 2.5 2.3 6.0
143 8 4 -2 37.978 75.955 1.45357 448.4 10.0 9.4 6.0
144 6 2 3 38.237 76.473 1.44522 116.7 2.6 2.4 6.0
145 3 6 -2 38.291 76.581 1.44349 125.8 2.8 2.6 6.0
146 3 5 -3 38.689 77.377 1.43093 59.5 1.3 1.2 6.0
147 10 3 -1 38.966 77.932 1.42235 164.1 3.7 3.4 6.0
148 1 5 3 39.004 78.009 1.42118 51.6 1.1 1.1 6.0
149 4 4 3 39.075 78.149 1.41903 45.1 1.0 0.9 6.0
150 11 0 0 39.145 78.291 1.41688 450.4 10.0 9.4 6.0
151 8 3 -3 39.478 78.955 1.40688 138.7 3.1 2.9 6.0
152 4 5 -3 39.574 79.147 1.40402 56.3 1.3 1.2 6.0
153 7 5 -2 39.614 79.228 1.40283 130.1 2.9 2.7 6.0
154 10 2 1 39.719 79.438 1.39973 102.7 2.3 2.1 6.0
155 6 6 -1 39.889 79.778 1.39476 58.2 1.3 1.2 6.0
156 0 7 1 39.965 79.93 1.39255 55.3 1.2 1.1 6.0
157 2 7 -1 40.423 80.846 1.37943 91.9 2.0 1.9 6.1
158 11 2 -1 40.512 81.023 1.37694 96.5 2.1 2.0 6.1
159 7 1 -4 40.63 81.259 1.37363 91.0 2.0 1.9 6.1
160 5 5 -3 40.835 81.671 1.36791 101.7 2.3 2.1 6.1
161 5 3 -4 40.984 81.967 1.36383 126.3 2.8 2.6 6.1
162 6 5 2 41.12 82.24 1.36011 76.5 1.7 1.6 6.1
163 3 7 -1 41.224 82.447 1.3573 183.8 4.1 3.8 6.1
164 2 3 4 41.266 82.531 1.35616 57.9 1.3 1.2 6.1
165 3 5 3 41.458 82.916 1.35101 51.6 1.1 1.1 6.1
166 4 6 2 41.787 83.574 1.3423 53.9 1.2 1.1 6.1
167 4 7 0 41.827 83.653 1.34126 84.6 1.9 1.7 6.1
168 2 4 -4 42.056 84.111 1.33531 234.7 5.2 4.8 6.1
169 8 5 -2 42.169 84.337 1.3324 317.0 7.1 6.5 6.1
170 9 3 -3 42.261 84.522 1.33003 52.3 1.2 1.1 6.1
171 8 0 -4 42.409 84.819 1.32626 63.6 1.4 1.3 6.1
172 0 4 4 42.515 85.03 1.32359 151.7 3.4 3.1 6.1
173 10 4 0 42.555 85.109 1.3226 183.0 4.1 3.7 6.1
174 3 3 4 42.824 85.647 1.31588 141.5 3.1 2.9 6.1
175 8 4 2 42.894 85.788 1.31414 167.1 3.7 3.4 6.1
176 5 0 4 42.93 85.86 1.31325 121.6 2.7 2.5 6.1
177 8 1 3 43.116 86.231 1.3087 258.3 5.7 5.3 6.1
178 2 6 -3 43.292 86.584 1.30442 160.6 3.6 3.3 6.1
179 0 6 3 43.447 86.893 1.3007 378.4 8.4 7.7 6.1
180 2 7 -2 43.67 87.34 1.29538 82.1 1.8 1.7 6.2
181 7 5 2 43.888 87.775 1.29025 322.2 7.2 6.5 6.2
182 5 7 -1 43.951 87.901 1.28878 128.7 2.9 2.6 6.2
183 12 1 0 43.984 87.969 1.28799 51.2 1.1 1.0 6.2
184 10 4 -2 44.235 88.47 1.28219 73.9 1.6 1.5 6.2
185 7 6 1 44.339 88.678 1.27981 193.0 4.3 3.9 6.2
186 2 4 4 44.485 88.97 1.27648 185.3 4.1 3.7 6.2
187 7 6 -2 44.688 89.376 1.2719 71.0 1.6 1.4 6.2
188 8 6 -1 44.897 89.794 1.26724 106.2 2.4 2.1 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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