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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DONGCHUANITE
1, t-dongchuanite, s-dongchuanite
Pb(4)(Zn,Cu)Zn(2)[(P,As)O(4)](2)[PO(4)](2)(OH)(2)
Triclinic P 1(-) Z = 1
R =0.07 NR =1360
13 .2 .25
Ref.Str.:
Li Guowu, Sun Ningyue, Shen Hongtao, Xue Yuan, Hao Jinhua, Fourestier J.
(2023) * Mineral. Mag., 87(4), 611-618,
https://doi.org/10.1180/mgm.2023.16
L: $Pb3.92 Cd0.02 Zn2.69 Cu0.45 As0.58 P3.34 S0.02 O18 H2$
R: Locality - Dongchuan Cu Mine, Sanguozhuang, Dongchuan District,
Kunming, Yunnan, China. IMA2021-058. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.762 alpha = 97.11
b = 8.507 beta = 101.46
c = 10.3641 gamma = 92.27
Unit cell volume (cub. angs.) = 407.42
Molar volume ( cub.cm/mol.) = 245.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1497 0.4805 0.3294 0.0 Pb = 1.00
2 0.8891 0.1051 0.8399 0.0 Pb = 1.00
3 0.0 0.5 0.0 0.0 Zn = 0.55, Cu = 0.45
4 0.6689 0.128 0.3826 0.0 Zn = 1.00
5 0.4891 0.2494 0.0886 0.0 P = 0.64, As = 0.36
6 0.2414 0.2207 0.566 0.0 P = 1.00
7 0.317 0.103 0.6637 0.0 O = 1.00
8 0.382 0.388 0.6212 0.0 O = 1.00
9 0.293 0.162 0.4251 0.0 O = 1.00
10 0.908 0.241 0.5435 0.0 O = 1.00
11 0.696 0.212 0.2193 0.0 O = 1.00
12 0.675 0.281 0.981 0.0 O = 1.00
13 0.263 0.107 0.0329 0.0 O = 1.00
14 0.324 0.403 0.1253 0.0 O = 1.00
15 0.922 0.618 0.164 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1497 0.4805 0.3294
2 2 0.8891 0.1051 0.8399
3 3 0.0 0.5 0.0
4 4 0.6689 0.128 0.3826
5 5 0.4891 0.2494 0.0886
6 6 0.2414 0.2207 0.566
7 7 0.317 0.103 0.6637
8 8 0.382 0.388 0.6212
9 9 0.293 0.162 0.4251
10 10 0.908 0.241 0.5435
11 11 0.696 0.212 0.2193
12 12 0.675 0.281 0.981
13 13 0.263 0.107 0.0329
14 14 0.324 0.403 0.1253
15 15 0.922 0.618 0.164
16 1 0.8503 0.5195 0.6706
17 2 0.1109 0.8949 0.1601
18 4 0.3311 0.872 0.6174
19 5 0.5109 0.7506 0.9114
20 6 0.7586 0.7793 0.434
21 7 0.683 0.897 0.3363
22 8 0.618 0.612 0.3788
23 9 0.707 0.838 0.5749
24 10 0.092 0.759 0.4565
25 11 0.304 0.788 0.7807
26 12 0.325 0.719 0.019
27 13 0.737 0.893 0.9671
28 14 0.676 0.597 0.8747
29 15 0.078 0.382 0.836
X-ray density (g/cm cub.) = 5.98
MU (1/cm) = 1233.908 Mass attenuation coefficient (cm**2/g) = 206.263
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.144 7
3.0549 9
3.0282 11
2.4484 14
2.3111 15
2.3861 8
2.9194 8
2.6167 10
2 Pb 3.144 6
2.9937 7
2.9611 7
2.3641 12
2.3968 13
2.5262 13
2.4961 15
3 Zn ,Cu 2.808 6
2.3376 12
2.0779 14
1.973 15
2.3376 12
2.0779 14
1.973 15
4 Zn 2.628 4
1.9506 9
1.9398 10
1.9418 11
1.9714 7
5 P ,As 2.46 4
1.5836 11
1.596 12
1.5609 13
1.5961 14
6 P 2.232 4
1.514 7
1.54 8
1.5537 9
1.5778 10
7 O 3.264 6
2.5352 8
2.5651 9
2.5104 10
3.1426 9
3.0783 11
3.1765 15
8 O 3.264 6
2.5352 7
2.5753 9
3.0475 10
2.4721 10
3.0344 14
2.891 15
9 O 3.264 6
2.5651 7
2.5753 8
2.9573 10
2.4712 10
3.1938 11
3.1426 7
10 O 3.264 6
2.5104 7
2.4721 8
3.0475 8
2.4712 9
2.9573 9
3.0547 15
11 O 3.264 5
3.1938 9
2.5922 12
2.5739 13
2.581 14
3.0783 7
12 O 3.264 8
2.5922 11
3.2012 13
2.5915 13
3.2232 14
2.6181 14
3.0289 14
2.8311 15
3.1454 15
13 O 3.264 6
2.5739 11
2.5915 12
3.2012 12
2.5645 14
3.083 13
2.9505 13
14 O 3.264 9
2.581 11
2.6181 12
3.2232 12
2.5645 13
3.2506 15
2.7518 15
3.0344 8
3.0289 12
2.9747 15
15 O 3.264 8
2.7518 14
3.2506 14
3.1765 7
2.891 8
3.0547 10
2.8311 12
3.1454 12
2.9747 14
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 0 1 5.098 10.197 0.05 250.27 2 8.4 21.4
2 0 1 0 6.096 12.192 0.059 174.39 2 17.3 63.0
3 0 -1 1 7.411 14.822 0.072 117.26 2 41.5 243.4
4 0 1 1 8.473 16.947 0.082 89.18 2 96.4 999.5
5 0 0 2 10.238 20.476 0.099 60.4 2 60.5 266.2
6 1 0 0 11.074 22.148 0.107 51.31 2 158.3 1548.7
7 -1 0 1 11.208 22.415 0.109 50.05 2 165.9 1659.0
8 0 -1 2 11.21 22.419 0.109 50.03 2 49.3 146.3
9 0 2 0 12.262 24.524 0.119 41.47 2 119.5 713.4
10 -1 1 0 12.313 24.625 0.119 41.11 2 84.2 351.3
11 0 -2 1 12.646 25.292 0.122 38.86 2 133.2 830.7
12 0 1 2 12.648 25.295 0.122 38.85 2 86.7 351.5
13 -1 1 1 12.775 25.55 0.124 38.04 2 54.5 136.0
14 -1 -1 1 12.817 25.634 0.124 37.78 2 45.8 95.4
15 1 1 0 13.034 26.069 0.126 36.46 2 5.6 1.4
16 1 0 1 13.156 26.312 0.127 35.75 2 105.1 475.4
17 -1 0 2 13.495 26.99 0.13 33.88 2 19.3 15.2
18 1 -1 1 13.917 27.834 0.134 31.74 2 7.4 2.1
19 0 2 1 13.945 27.891 0.135 31.6 2 82.1 256.8
20 -1 -1 2 14.578 29.157 0.141 28.75 2 53.9 100.5
21 0 -2 2 14.949 29.899 0.144 27.24 2 261.3 2241.5
22 -1 1 2 15.129 30.257 0.146 26.56 2 312.5 3124.2
23 1 1 1 15.151 30.303 0.146 26.47 2 274.3 2399.5
24 0 0 3 15.462 30.924 0.149 25.34 2 51.3 80.5
25 0 -1 3 15.866 31.732 0.153 23.97 2 222.5 1430.4
26 -1 2 0 16.068 32.136 0.155 23.32 2 19.1 10.2
27 1 0 2 16.693 33.386 0.161 21.47 2 147.6 563.4
28 -1 2 1 16.699 33.398 0.161 21.46 2 285.0 2100.0
29 -1 -2 1 16.765 33.53 0.161 21.28 2 71.4 130.7
30 1 -1 2 17.055 34.109 0.164 20.5 2 265.3 1738.7
31 1 -2 1 17.098 34.197 0.164 20.38 2 217.6 1163.2
32 0 2 2 17.139 34.279 0.165 20.28 2 35.1 30.1
33 -1 0 3 17.148 34.296 0.165 20.25 2 53.2 69.0
34 1 2 0 17.195 34.389 0.165 20.14 2 313.9 2390.0
35 0 1 3 17.454 34.908 0.168 19.49 2 259.5 1581.2
36 -1 -1 3 17.784 35.569 0.171 18.71 2 312.4 2198.9
37 -1 -2 2 17.933 35.866 0.172 18.37 2 208.8 964.8
38 0 -2 3 18.526 37.053 0.178 17.1 2 177.1 646.0
39 0 3 0 18.577 37.153 0.178 17.0 2 272.7 1522.9
40 1 1 2 18.583 37.166 0.178 16.99 2 139.6 398.9
41 0 -3 1 18.604 37.207 0.178 16.94 2 9.8 2.0
42 -1 1 3 18.731 37.463 0.18 16.69 2 86.0 148.8
43 -1 2 2 18.844 37.688 0.181 16.47 2 13.3 3.5
44 1 2 1 19.128 38.256 0.183 15.94 2 44.7 38.4
45 1 -2 2 19.559 39.118 0.187 15.17 2 93.1 158.4
46 0 3 1 20.002 40.004 0.191 14.43 2 130.6 296.4
47 0 -3 2 20.078 40.156 0.192 14.31 2 157.2 426.3
48 -1 -2 3 20.462 40.923 0.195 13.72 2 21.7 7.8
49 0 0 4 20.822 41.645 0.199 13.2 2 198.1 623.9
50 0 -1 4 20.919 41.838 0.2 13.06 2 65.8 68.1
51 1 0 3 21.05 42.099 0.201 12.88 2 22.4 7.8
52 1 -1 3 21.132 42.265 0.202 12.77 2 203.0 633.6
53 -1 3 0 21.159 42.319 0.202 12.73 2 148.4 337.8
54 0 2 3 21.254 42.508 0.203 12.6 2 108.4 178.4
55 -1 0 4 21.574 43.147 0.206 12.19 2 38.0 21.2
56 1 -3 1 21.773 43.547 0.207 11.94 2 10.7 1.6
57 -1 3 1 21.873 43.746 0.208 11.82 2 85.4 103.9
58 -1 -1 4 21.892 43.784 0.208 11.79 2 148.8 314.6
59 -1 -3 1 21.951 43.903 0.209 11.72 2 147.0 305.1
60 -2 0 1 22.092 44.184 0.21 11.55 2 367.4 1878.6
61 -1 2 3 22.127 44.254 0.211 11.51 2 171.9 409.7
62 1 2 2 22.232 44.464 0.212 11.39 2 12.9 2.3
63 1 3 0 22.502 45.004 0.214 11.08 2 94.0 118.1
64 2 0 0 22.591 45.182 0.215 10.99 2 43.8 25.4
65 0 1 4 22.608 45.217 0.215 10.97 2 161.8 345.8
66 0 3 2 22.65 45.3 0.215 10.92 2 265.6 928.5
67 -1 -3 2 22.691 45.381 0.216 10.88 2 46.1 27.8
68 0 -3 3 22.765 45.529 0.216 10.8 2 100.7 131.8
69 -2 1 1 22.776 45.552 0.216 10.79 2 38.9 19.7
70 1 1 3 22.834 45.668 0.217 10.72 2 181.9 427.4
71 -2 0 2 22.876 45.751 0.217 10.68 2 39.6 20.2
72 0 -2 4 22.88 45.76 0.217 10.68 2 4.2 0.2
73 -2 1 0 23.063 46.125 0.219 10.48 2 54.2 37.1
74 1 -2 3 23.066 46.132 0.219 10.48 2 109.9 152.5
75 -1 1 4 23.1 46.201 0.219 10.45 2 219.0 603.8
76 -2 -1 1 23.231 46.461 0.22 10.31 2 18.6 4.3
77 1 -3 2 23.632 47.263 0.224 9.92 2 86.1 88.6
78 -2 1 2 23.74 47.48 0.225 9.82 2 133.5 210.8
79 -2 -1 2 23.789 47.578 0.225 9.77 2 129.5 197.5
80 -1 3 2 23.818 47.637 0.226 9.75 2 154.7 281.0
81 2 1 0 23.908 47.816 0.227 9.66 2 46.7 25.3
82 -1 -2 4 23.997 47.995 0.227 9.58 2 36.7 15.6
83 1 3 1 24.273 48.546 0.23 9.34 2 133.7 201.1
84 2 0 1 24.312 48.623 0.23 9.3 2 147.3 243.2
85 2 -1 1 24.566 49.133 0.232 9.08 2 90.3 89.3
86 -1 -3 3 24.629 49.258 0.233 9.03 2 141.6 218.1
87 -2 0 3 24.848 49.695 0.235 8.85 2 43.2 19.9
88 0 -4 1 24.967 49.935 0.236 8.76 2 175.3 324.1
89 0 4 0 25.136 50.271 0.237 8.62 2 4.8 0.2
90 -2 2 1 25.167 50.334 0.238 8.6 2 73.5 55.9
91 -2 2 0 25.245 50.491 0.238 8.54 2 137.8 195.4
92 -2 -1 3 25.521 51.043 0.241 8.33 2 66.7 44.6
93 2 1 1 25.747 51.494 0.243 8.16 2 48.0 22.6
94 1 -1 4 25.823 51.645 0.243 8.11 2 197.1 379.5
95 -2 1 3 25.847 51.694 0.244 8.09 2 105.8 109.2
96 1 0 4 25.937 51.874 0.244 8.03 2 86.9 73.0
97 0 -4 2 25.967 51.934 0.245 8.01 2 21.7 4.6
98 0 2 4 25.971 51.941 0.245 8.0 2 100.7 97.8
99 -2 -2 1 26.007 52.013 0.245 7.98 2 203.2 396.8
100 1 2 3 26.186 52.372 0.247 7.86 2 58.9 32.8
101 -1 2 4 26.221 52.442 0.247 7.83 2 74.1 51.8
102 0 3 3 26.234 52.469 0.247 7.82 2 123.2 143.1
103 -2 2 2 26.248 52.495 0.247 7.81 2 39.9 15.0
104 0 -1 5 26.279 52.559 0.247 7.79 2 171.0 274.4
105 -2 -2 2 26.339 52.678 0.248 7.75 2 112.7 118.6
106 0 -3 4 26.378 52.756 0.248 7.73 2 181.8 307.5
107 0 0 5 26.381 52.762 0.248 7.72 2 31.3 9.1
108 0 4 1 26.455 52.911 0.249 7.67 2 69.0 44.1
109 2 -2 1 26.475 52.95 0.249 7.66 2 222.8 458.3
110 -1 0 5 26.512 53.025 0.25 7.64 2 120.0 132.4
111 1 -3 3 26.534 53.069 0.25 7.62 2 48.6 21.7
112 -1 -1 5 26.604 53.209 0.25 7.58 2 166.5 253.2
113 -1 3 3 26.792 53.583 0.252 7.46 2 70.2 44.2
114 2 2 0 26.812 53.625 0.252 7.44 2 106.7 102.1
115 -1 4 0 27.03 54.061 0.254 7.31 2 97.6 83.8
116 2 0 2 27.078 54.157 0.254 7.28 2 84.2 62.2
117 1 3 2 27.085 54.17 0.255 7.27 2 84.2 62.1
118 2 -1 2 27.136 54.271 0.255 7.24 2 209.5 383.0
119 1 -2 4 27.325 54.65 0.257 7.13 2 81.1 56.5
120 1 -4 1 27.366 54.731 0.257 7.11 2 212.8 387.6
121 -1 -3 4 27.578 55.156 0.259 6.98 2 4.0 0.1
122 1 1 4 27.655 55.309 0.259 6.94 2 35.1 10.3
123 0 -2 5 27.776 55.552 0.26 6.87 2 92.2 70.4
124 -2 -2 3 27.781 55.561 0.261 6.87 2 154.7 198.0
125 -1 4 1 27.804 55.607 0.261 6.85 2 0.4 0.0
126 -2 0 4 27.822 55.644 0.261 6.84 2 30.0 7.4
127 -1 -4 1 27.891 55.783 0.261 6.81 2 147.1 177.4
128 -1 1 5 28.009 56.018 0.263 6.74 2 8.3 0.6
129 0 -4 3 28.045 56.089 0.263 6.72 2 210.7 359.5
130 0 1 5 28.069 56.138 0.263 6.71 2 62.1 31.2
131 -2 -1 4 28.272 56.544 0.265 6.6 2 231.1 424.5
132 -1 -2 5 28.275 56.549 0.265 6.6 2 13.1 1.4
133 -1 -4 2 28.342 56.683 0.265 6.56 2 196.5 305.2
134 -2 2 3 28.393 56.787 0.266 6.54 2 112.7 100.0
135 1 4 0 28.529 57.057 0.267 6.47 2 107.8 90.6
136 2 1 2 28.587 57.174 0.267 6.44 2 272.4 575.3
137 2 2 1 28.69 57.379 0.268 6.38 2 20.8 3.3
138 2 -2 2 28.753 57.505 0.269 6.35 2 172.0 226.5
139 1 -4 2 28.784 57.568 0.269 6.34 2 217.7 362.0
140 0 4 2 28.815 57.631 0.269 6.32 2 44.7 15.2
141 -2 3 0 28.854 57.709 0.27 6.3 2 15.8 1.9
142 -2 1 4 28.921 57.841 0.27 6.27 2 224.5 380.8
143 -2 3 1 28.955 57.91 0.271 6.25 2 282.8 602.7
144 -1 4 2 29.628 59.256 0.276 5.94 2 127.6 116.5
145 2 -3 1 29.814 59.629 0.278 5.85 2 69.3 33.9
146 -1 -4 3 29.847 59.694 0.278 5.84 2 201.7 286.2
147 -2 -3 1 30.099 60.198 0.28 5.73 2 191.3 252.6
148 -2 3 2 30.109 60.218 0.28 5.73 2 84.1 48.8
149 1 4 1 30.209 60.417 0.281 5.68 2 104.2 74.4
150 -2 -2 4 30.226 60.452 0.281 5.68 2 134.1 123.0
151 -2 -3 2 30.234 60.469 0.281 5.67 2 22.8 3.5
152 1 -3 4 30.281 60.562 0.282 5.65 2 254.8 442.3
153 0 3 4 30.546 61.092 0.284 5.55 2 10.5 0.7
154 2 -1 3 30.592 61.184 0.284 5.53 2 73.1 35.6
155 -1 3 4 30.595 61.191 0.285 5.53 2 109.2 79.4
156 2 0 3 30.705 61.41 0.285 5.48 2 89.1 52.5
157 0 -3 5 30.714 61.427 0.286 5.48 2 88.6 51.8
158 1 3 3 30.75 61.5 0.286 5.46 2 185.3 226.0
159 1 2 4 30.794 61.589 0.286 5.45 2 260.8 446.4
160 -1 2 5 30.941 61.882 0.287 5.39 2 254.2 419.8
161 2 3 0 30.998 61.996 0.288 5.37 2 108.0 75.4
162 1 -1 5 31.001 62.003 0.288 5.37 2 13.7 1.2
163 0 -4 4 31.06 62.119 0.288 5.34 2 87.5 49.3
164 0 2 5 31.172 62.344 0.289 5.3 2 166.5 177.2
165 1 -4 3 31.19 62.38 0.289 5.3 2 186.3 221.4
166 1 0 5 31.267 62.535 0.29 5.27 2 136.3 117.9
167 -1 -3 5 31.357 62.713 0.291 5.23 2 263.8 439.0
168 -2 -3 3 31.397 62.793 0.291 5.22 2 199.4 250.0
169 -2 2 4 31.465 62.929 0.292 5.19 2 169.9 180.6
170 2 2 2 31.516 63.032 0.292 5.18 2 42.8 11.4
171 -2 0 5 31.621 63.241 0.293 5.14 2 242.1 363.0
172 0 -5 1 31.764 63.528 0.294 5.09 2 30.3 5.6
173 2 -3 2 31.776 63.552 0.294 5.08 2 84.4 43.6
174 -1 -1 6 31.812 63.624 0.295 5.07 2 26.6 4.3
175 -2 -1 5 31.876 63.751 0.295 5.05 2 50.1 15.3
176 -1 0 6 31.892 63.784 0.295 5.04 2 149.0 134.8
177 2 -2 3 31.937 63.874 0.296 5.03 2 65.7 26.1
178 0 -1 6 31.971 63.942 0.296 5.02 2 9.1 0.5
179 0 5 0 32.07 64.14 0.297 4.98 2 245.1 360.6
180 0 4 3 32.072 64.145 0.297 4.98 2 196.0 230.6
181 1 -2 5 32.186 64.372 0.298 4.94 2 122.5 89.4
182 0 0 6 32.222 64.445 0.298 4.93 2 224.1 298.4
183 -2 3 3 32.249 64.498 0.298 4.92 2 228.2 308.9
184 2 1 3 32.267 64.533 0.298 4.92 2 178.6 189.0
185 -1 -4 4 32.318 64.635 0.299 4.9 2 131.0 101.3
186 -1 4 3 32.395 64.789 0.299 4.87 2 189.5 210.8
187 0 -5 2 32.464 64.929 0.3 4.85 2 108.4 68.7
188 -2 1 5 32.801 65.601 0.303 4.75 2 116.9 78.1
189 1 4 2 32.836 65.671 0.303 4.73 2 185.2 195.7
190 2 3 1 32.883 65.767 0.303 4.72 2 249.2 353.3
191 1 1 5 32.964 65.927 0.304 4.7 2 4.5 0.1
192 0 -2 6 33.146 66.292 0.306 4.64 2 314.9 554.6
193 -1 -2 6 33.159 66.318 0.306 4.64 2 150.9 127.3
194 0 5 1 33.367 66.734 0.307 4.58 2 111.4 68.4
195 -1 1 6 33.394 66.788 0.308 4.57 2 96.1 50.8
196 -2 -3 4 33.525 67.051 0.309 4.53 2 149.2 121.6
197 -1 5 0 33.543 67.086 0.309 4.53 2 72.4 28.6
198 -2 -2 5 33.547 67.095 0.309 4.52 2 35.9 7.0
199 -2 4 0 33.612 67.224 0.309 4.51 2 93.2 47.2
200 1 -5 1 33.681 67.363 0.31 4.49 2 81.5 35.9
201 -2 4 1 33.861 67.723 0.311 4.44 2 4.1 0.1
202 0 1 6 33.883 67.767 0.312 4.43 2 112.6 67.7
203 0 -5 3 34.138 68.275 0.314 4.36 2 79.8 33.5
204 2 -4 1 34.34 68.679 0.315 4.31 2 74.3 28.7
205 -1 5 1 34.382 68.765 0.316 4.3 2 262.9 358.0
206 -3 0 1 34.382 68.765 0.316 4.3 2 125.0 80.9
207 1 -4 4 34.471 68.942 0.316 4.28 2 52.3 14.1
208 -1 -5 1 34.479 68.959 0.316 4.27 2 88.9 40.7
209 -3 0 2 34.545 69.091 0.317 4.26 2 149.7 114.9
210 2 -3 3 34.646 69.293 0.318 4.23 2 118.0 71.0
211 -1 -5 2 34.724 69.448 0.318 4.21 2 13.6 0.9
212 -3 1 1 34.734 69.467 0.318 4.21 2 120.3 73.4
213 1 -3 5 34.74 69.48 0.319 4.21 2 46.5 11.0
214 1 -5 2 34.791 69.582 0.319 4.2 2 12.7 0.8
215 2 -1 4 34.803 69.607 0.319 4.19 2 206.7 215.7
216 0 -4 5 34.885 69.771 0.32 4.17 2 21.8 2.4
217 -3 1 2 35.051 70.101 0.321 4.13 2 41.1 8.4
218 2 0 4 35.064 70.127 0.321 4.13 2 18.0 1.6
219 -2 4 2 35.078 70.156 0.321 4.13 2 17.1 1.5
220 -1 3 5 35.106 70.212 0.321 4.12 2 29.5 4.3
221 1 3 4 35.142 70.285 0.322 4.11 2 84.7 35.6
222 2 2 3 35.174 70.347 0.322 4.1 2 108.0 57.7
223 3 0 0 35.186 70.372 0.322 4.1 2 101.5 50.9
224 1 5 0 35.201 70.401 0.322 4.1 2 239.3 282.8
225 -2 -4 2 35.232 70.464 0.322 4.09 2 152.5 114.6
226 -2 -4 1 35.261 70.523 0.323 4.08 2 36.3 6.5
227 -2 3 4 35.28 70.561 0.323 4.08 2 62.2 19.0
228 -2 2 5 35.34 70.68 0.323 4.06 2 24.5 2.9
229 -3 1 0 35.38 70.759 0.324 4.06 2 1.5 0.0
230 -3 -1 1 35.41 70.819 0.324 4.05 2 40.8 8.1
231 -3 -1 2 35.417 70.834 0.324 4.05 2 39.0 7.4
232 0 3 5 35.486 70.972 0.325 4.03 2 84.2 34.4
233 0 5 2 35.601 71.201 0.325 4.01 2 43.6 9.2
234 -1 -4 5 35.652 71.304 0.326 3.99 2 9.7 0.4
235 -3 0 3 35.669 71.338 0.326 3.99 2 21.8 2.3
236 2 3 2 35.675 71.349 0.326 3.99 2 100.1 48.2
237 0 -3 6 35.676 71.352 0.326 3.99 2 123.0 72.7
238 -1 -3 6 35.851 71.703 0.327 3.95 2 77.2 28.4
239 2 -2 4 35.914 71.827 0.328 3.94 2 28.9 4.0
240 -1 -5 3 35.926 71.852 0.328 3.94 2 50.2 12.0
241 1 2 5 35.986 71.973 0.328 3.92 2 11.1 0.6
242 -1 4 4 35.997 71.994 0.329 3.92 2 224.9 238.9
243 2 -4 2 36.017 72.034 0.329 3.92 2 237.0 265.1
244 0 4 4 36.114 72.228 0.329 3.9 2 107.6 54.3
245 -2 0 6 36.135 72.269 0.33 3.89 2 3.5 0.1
246 -2 -4 3 36.158 72.316 0.33 3.89 2 33.4 5.2
247 -1 5 2 36.167 72.334 0.33 3.88 2 49.5 11.5
248 -2 -1 6 36.221 72.443 0.33 3.87 2 68.6 22.0
249 -1 2 6 36.229 72.457 0.33 3.87 2 18.4 1.6
250 2 4 0 36.245 72.49 0.331 3.87 2 121.3 68.6
251 1 4 3 36.311 72.622 0.331 3.85 2 178.6 148.2
252 -3 1 3 36.32 72.639 0.331 3.85 2 242.1 272.0
253 3 1 0 36.356 72.711 0.331 3.85 2 143.9 95.9
254 -3 -1 3 36.377 72.753 0.332 3.84 2 108.7 54.7
255 -3 2 1 36.446 72.891 0.332 3.83 2 23.6 2.6
256 -2 -3 5 36.54 73.08 0.333 3.81 2 189.7 165.2
257 1 -1 6 36.669 73.338 0.334 3.78 2 34.6 5.5
258 2 1 4 36.682 73.364 0.334 3.78 2 82.3 30.8
259 0 -5 4 36.722 73.444 0.334 3.77 2 187.0 158.9
260 1 -5 3 36.833 73.666 0.335 3.75 2 49.3 11.0
261 0 2 6 36.862 73.724 0.335 3.75 2 108.8 53.4
262 1 5 1 36.863 73.726 0.335 3.75 2 76.8 26.7
263 -3 2 2 36.908 73.816 0.336 3.74 2 148.3 99.1
264 -3 2 0 36.928 73.856 0.336 3.73 2 221.5 220.6
265 3 0 1 36.928 73.856 0.336 3.73 2 122.6 67.6
266 3 -1 1 36.967 73.934 0.336 3.73 2 152.2 104.1
267 1 0 6 37.065 74.131 0.337 3.71 2 280.3 351.0
268 -2 4 3 37.22 74.441 0.338 3.68 2 10.6 0.5
269 -2 1 6 37.396 74.792 0.339 3.65 2 11.3 0.6
270 -1 -1 7 37.524 75.047 0.34 3.62 2 34.2 5.1
271 1 -2 6 37.616 75.232 0.341 3.61 2 16.1 1.1
272 -3 -2 2 37.624 75.248 0.341 3.61 2 41.8 7.6
273 -2 -2 6 37.653 75.306 0.341 3.6 2 110.6 53.1
274 -3 0 4 37.717 75.434 0.342 3.59 2 16.8 1.2
275 -1 0 7 37.748 75.496 0.342 3.59 2 270.2 315.4
276 -3 -2 1 37.768 75.535 0.342 3.58 2 258.2 287.8
277 -2 -4 4 38.011 76.021 0.344 3.54 2 130.6 72.7
278 -1 -5 4 38.047 76.095 0.345 3.54 2 115.7 57.0
279 0 -1 7 38.086 76.171 0.345 3.53 2 26.2 2.9
280 2 4 1 38.153 76.307 0.345 3.52 2 44.4 8.4
281 3 1 1 38.226 76.453 0.346 3.51 2 188.9 150.7
282 -3 -1 4 38.261 76.522 0.346 3.5 2 270.9 309.7
283 -3 2 3 38.302 76.604 0.346 3.5 2 52.5 11.6
284 3 -2 1 38.342 76.683 0.347 3.49 2 92.1 35.7
285 2 -3 4 38.346 76.691 0.347 3.49 2 39.4 6.5
286 -3 -2 3 38.414 76.828 0.347 3.48 2 147.6 91.3
287 0 0 7 38.468 76.935 0.348 3.47 2 54.0 12.2
288 -3 1 4 38.504 77.007 0.348 3.46 2 49.6 10.3
289 1 -4 5 38.545 77.089 0.348 3.46 2 116.7 56.7
290 2 -4 3 38.595 77.19 0.349 3.45 2 68.9 19.7
291 -1 -2 7 38.631 77.262 0.349 3.44 2 55.3 12.7
292 0 5 3 38.707 77.415 0.35 3.43 2 26.7 2.9
293 1 1 6 38.791 77.582 0.35 3.42 2 14.2 0.8
294 3 2 0 38.84 77.681 0.351 3.41 2 51.8 11.0
295 -1 5 3 38.847 77.693 0.351 3.41 2 95.6 37.6
296 0 -2 7 39.03 78.06 0.352 3.39 2 130.0 68.9
297 -2 3 5 39.13 78.259 0.353 3.37 2 62.2 15.7
298 0 -6 1 39.151 78.302 0.353 3.37 2 114.6 53.3
299 -1 1 7 39.297 78.594 0.354 3.35 2 34.9 4.9
300 2 3 3 39.303 78.607 0.354 3.35 2 43.8 7.7
301 -2 5 0 39.379 78.759 0.355 3.34 2 52.9 11.3
302 1 5 2 39.423 78.846 0.355 3.33 2 153.8 95.0
303 -3 3 1 39.45 78.9 0.355 3.33 2 222.3 198.0
304 3 -1 2 39.455 78.91 0.355 3.33 2 159.9 102.4
305 0 -4 6 39.455 78.911 0.355 3.33 2 4.0 0.1
306 3 0 2 39.565 79.13 0.356 3.31 2 49.5 9.8
307 0 6 0 39.579 79.159 0.356 3.31 2 25.2 2.5
308 2 2 4 39.595 79.19 0.356 3.31 2 103.6 42.8
309 0 -6 2 39.646 79.292 0.357 3.3 2 180.6 129.7
310 2 -1 5 39.718 79.436 0.357 3.29 2 0.2 0.0
311 1 -5 4 39.756 79.512 0.357 3.29 2 0.6 0.0
312 -2 5 1 39.762 79.524 0.358 3.29 2 244.8 237.1
313 -3 3 0 39.773 79.545 0.358 3.28 2 9.1 0.3
314 -1 -4 6 39.782 79.564 0.358 3.28 2 139.5 77.0
315 1 -3 6 39.874 79.747 0.358 3.27 2 162.1 103.5
316 2 -5 1 39.918 79.836 0.359 3.27 2 165.3 107.5
317 -2 2 6 39.961 79.922 0.359 3.26 2 139.8 76.8
318 -3 3 2 40.048 80.097 0.36 3.25 2 141.5 78.4
319 2 0 5 40.114 80.228 0.36 3.24 2 202.6 160.2
320 -3 -2 4 40.119 80.239 0.36 3.24 2 30.3 3.6
321 0 -5 5 40.159 80.318 0.361 3.23 2 82.6 26.6
322 0 1 7 40.165 80.33 0.361 3.23 2 167.3 109.0
323 1 3 5 40.224 80.448 0.361 3.23 2 91.7 32.7
324 -2 4 4 40.239 80.478 0.361 3.23 2 188.6 138.2
325 -1 3 6 40.292 80.584 0.361 3.22 2 82.1 26.1
326 -1 4 5 40.377 80.753 0.362 3.21 2 102.8 40.9
327 -2 -3 6 40.38 80.76 0.362 3.21 2 70.5 19.2
328 1 4 4 40.577 81.154 0.364 3.19 2 143.6 79.2
329 -3 2 4 40.598 81.197 0.364 3.18 2 182.7 128.0
330 2 -2 5 40.634 81.267 0.364 3.18 2 208.0 165.7
331 -3 0 5 40.645 81.29 0.364 3.18 2 30.8 3.6
332 3 -2 2 40.657 81.314 0.364 3.18 2 114.0 49.7
333 -2 -4 5 40.752 81.503 0.365 3.17 2 26.8 2.7
334 1 -6 1 40.765 81.531 0.365 3.16 2 16.9 1.1
335 -1 6 0 40.784 81.567 0.365 3.16 2 68.2 17.7
336 3 2 1 40.822 81.643 0.365 3.16 2 11.6 0.5
337 0 4 5 40.896 81.791 0.366 3.15 2 227.5 196.3
338 0 6 1 40.923 81.845 0.366 3.15 2 62.0 14.6
339 2 4 2 40.947 81.895 0.366 3.14 2 142.5 76.9
340 3 1 2 40.985 81.969 0.367 3.14 2 155.4 91.4
341 3 -3 1 41.01 82.021 0.367 3.14 2 10.0 0.4
342 -3 -1 5 41.032 82.064 0.367 3.13 2 141.7 75.8
343 -1 -3 7 41.038 82.076 0.367 3.13 2 126.8 60.7
344 -1 -5 5 41.047 82.093 0.367 3.13 2 39.8 6.0
345 0 -6 3 41.055 82.109 0.367 3.13 2 147.8 82.4
346 -2 5 2 41.06 82.119 0.367 3.13 2 101.0 38.5
347 0 3 6 41.061 82.122 0.367 3.13 2 169.1 108.0
348 -3 -3 2 41.096 82.193 0.367 3.13 2 29.8 3.3
349 -2 -5 2 41.243 82.485 0.369 3.11 2 26.7 2.7
350 0 -3 7 41.275 82.551 0.369 3.11 2 36.2 4.9
351 -2 -1 7 41.281 82.562 0.369 3.11 2 19.8 1.5
352 -2 0 7 41.344 82.689 0.369 3.1 2 170.4 108.5
353 2 -5 2 41.369 82.738 0.369 3.1 2 37.0 5.1
354 -3 -3 1 41.383 82.766 0.37 3.1 2 14.6 0.8
355 -2 -5 1 41.417 82.834 0.37 3.09 2 206.1 158.4
356 -3 3 3 41.558 83.116 0.371 3.08 2 67.2 16.8
357 -3 1 5 41.563 83.127 0.371 3.08 2 124.0 57.1
358 1 -6 2 41.66 83.32 0.372 3.07 2 241.0 214.9
359 -1 6 1 41.715 83.429 0.372 3.07 2 21.8 1.8
360 -3 -3 3 41.722 83.444 0.372 3.06 2 8.6 0.3
361 1 2 6 41.798 83.595 0.373 3.06 2 187.2 129.1
362 2 1 5 41.813 83.626 0.373 3.06 2 75.7 21.1
363 -1 -6 1 41.824 83.648 0.373 3.05 2 7.2 0.2
364 -1 -6 2 41.908 83.816 0.373 3.05 2 56.5 11.7
365 -2 -5 3 41.98 83.959 0.374 3.04 2 42.0 6.5
366 2 -4 4 42.032 84.064 0.374 3.04 2 62.9 14.5
367 -1 2 7 42.132 84.263 0.375 3.03 2 112.5 46.2
368 -1 5 4 42.383 84.766 0.377 3.0 2 13.5 0.7
369 2 5 0 42.501 85.002 0.378 2.99 2 57.9 12.1
370 -2 -2 7 42.518 85.036 0.378 2.99 2 279.0 280.7
371 3 3 0 42.579 85.157 0.378 2.99 2 138.2 68.8
372 1 6 0 42.649 85.299 0.379 2.98 2 2.6 0.0
373 0 5 4 42.649 85.299 0.379 2.98 2 10.6 0.4
374 -2 1 7 42.707 85.414 0.379 2.98 2 114.4 46.9
375 -3 -2 5 42.717 85.434 0.379 2.98 2 67.5 16.3
376 3 -1 3 42.81 85.62 0.38 2.97 2 206.8 152.9
377 2 -3 5 42.843 85.686 0.38 2.97 2 186.6 124.4
378 1 5 3 42.847 85.694 0.38 2.97 2 21.7 1.7
379 -1 -6 3 42.9 85.801 0.381 2.96 2 245.4 215.0
380 1 -1 7 42.923 85.845 0.381 2.96 2 67.7 16.3
381 3 0 3 43.064 86.128 0.382 2.95 2 18.1 1.2
382 0 2 7 43.143 86.285 0.382 2.94 2 132.5 62.2
383 3 -3 2 43.149 86.297 0.382 2.94 2 54.1 10.4
384 0 6 2 43.165 86.33 0.382 2.94 2 198.8 140.1
385 -3 -3 4 43.254 86.508 0.383 2.93 2 136.9 66.3
386 -2 5 3 43.257 86.513 0.383 2.93 2 16.3 0.9
387 0 -6 4 43.361 86.722 0.384 2.93 2 56.9 11.4
388 1 -4 6 43.396 86.792 0.384 2.92 2 75.8 20.2
389 1 0 7 43.45 86.9 0.384 2.92 2 73.2 18.9
390 1 -6 3 43.459 86.918 0.384 2.92 2 67.0 15.8
391 1 -5 5 43.532 87.064 0.385 2.92 2 173.8 106.1
392 -1 6 2 43.549 87.098 0.385 2.91 2 134.1 63.1
393 -2 -5 4 43.622 87.243 0.386 2.91 2 19.7 1.4
394 -3 4 1 43.689 87.378 0.386 2.9 2 3.5 0.0
395 3 2 2 43.69 87.379 0.386 2.9 2 71.9 18.1
396 1 -2 7 43.69 87.38 0.386 2.9 2 165.6 96.0
397 2 -5 3 43.717 87.435 0.386 2.9 2 169.9 101.0
398 2 3 4 43.748 87.495 0.387 2.9 2 16.5 1.0
399 -3 2 5 43.773 87.546 0.387 2.9 2 11.6 0.5
400 -2 3 6 43.78 87.561 0.387 2.9 2 79.0 21.8
401 -1 -1 8 43.848 87.696 0.387 2.89 2 137.6 66.0
402 3 -2 3 43.85 87.701 0.387 2.89 2 62.2 13.5
403 -3 4 0 43.861 87.721 0.387 2.89 2 154.1 82.8
404 -3 3 4 43.964 87.928 0.388 2.89 2 60.2 12.6
405 -2 4 5 44.111 88.223 0.389 2.88 2 77.0 20.5
406 -1 0 8 44.211 88.422 0.39 2.87 2 57.0 11.2
407 -2 -4 6 44.359 88.719 0.391 2.86 2 24.4 2.1
408 1 6 1 44.379 88.757 0.391 2.86 2 70.9 17.3
409 -3 4 2 44.423 88.846 0.391 2.86 2 14.8 0.8
410 0 -5 6 44.433 88.865 0.391 2.86 2 261.8 236.0
411 -3 0 6 44.434 88.868 0.391 2.86 2 166.8 95.8
412 2 5 1 44.487 88.975 0.392 2.86 2 139.8 67.2
413 2 4 3 44.608 89.217 0.393 2.85 2 76.3 20.0
414 3 1 3 44.611 89.222 0.393 2.85 2 65.7 14.8
415 -3 -1 6 44.671 89.342 0.393 2.85 2 78.1 20.9
416 3 3 1 44.676 89.351 0.393 2.85 2 93.1 29.7
417 -1 -4 7 44.71 89.42 0.393 2.84 2 58.0 11.5
418 -1 -2 8 44.778 89.556 0.394 2.84 2 132.2 59.8
419 0 -4 7 44.791 89.582 0.394 2.84 2 157.8 85.2
420 2 2 5 44.794 89.588 0.394 2.84 2 174.3 104.0
421 0 -1 8 44.795 89.589 0.394 2.84 2 50.2 8.6
422 -1 -6 4 44.795 89.591 0.394 2.84 2 65.6 14.7
423 -1 -5 6 44.908 89.816 0.395 2.83 2 150.0 76.8
424 3 -4 1 44.937 89.874 0.395 2.83 2 151.1 77.9
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 1 0 6.096 12.192 8.42313 63.0 1.1 1.2 5.6
2 0 -1 1 7.411 14.822 6.93474 243.4 4.4 4.5 5.6
3 0 1 1 8.473 16.947 6.07039 999.5 18.1 18.3 5.6
4 0 0 2 10.238 20.476 5.03254 266.2 4.8 4.9 5.6
5 1 0 0 11.074 22.148 4.65678 1548.7 28.0 28.2 5.6
6 -1 0 1 11.208 22.415 4.60193 1805.3 32.7 32.9 5.6
7 0 2 0 12.262 24.524 4.21157 713.4 12.9 13.0 5.6
8 -1 1 0 12.313 24.625 4.19447 351.3 6.4 6.4 5.6
9 0 -2 1 12.646 25.292 4.08568 1182.2 21.4 21.5 5.6
10 -1 1 1 12.775 25.55 4.04503 136.0 2.5 2.5 5.6
11 -1 -1 1 12.817 25.634 4.03201 95.4 1.7 1.7 5.6
12 1 0 1 13.156 26.312 3.92989 475.4 8.6 8.6 5.6
13 0 2 1 13.945 27.891 3.71153 256.8 4.6 4.7 5.6
14 -1 -1 2 14.578 29.157 3.55361 100.5 1.8 1.8 5.6
15 0 -2 2 14.949 29.899 3.46737 2241.5 40.6 40.6 5.6
16 -1 1 2 15.129 30.257 3.42723 5523.8 100.0 100.0 5.6
17 0 0 3 15.462 30.924 3.35503 80.5 1.5 1.5 5.6
18 0 -1 3 15.866 31.732 3.27176 1430.4 25.9 25.9 5.6
19 -1 2 1 16.699 33.398 3.11283 2663.4 48.2 48.1 5.7
20 -1 -2 1 16.765 33.53 3.10097 130.7 2.4 2.4 5.7
21 1 -1 2 17.055 34.109 3.04982 1738.7 31.5 31.4 5.7
22 1 -2 1 17.098 34.197 3.04225 1163.2 21.1 21.0 5.7
23 -1 0 3 17.148 34.296 3.03368 99.1 1.8 1.8 5.7
24 1 2 0 17.195 34.389 3.02571 2390.0 43.3 43.1 5.7
25 0 1 3 17.454 34.908 2.9821 1581.2 28.6 28.5 5.7
26 -1 -1 3 17.784 35.569 2.92845 2198.9 39.8 39.6 5.7
27 -1 -2 2 17.933 35.866 2.90499 964.8 17.5 17.4 5.7
28 0 -2 3 18.526 37.053 2.81508 646.0 11.7 11.6 5.7
29 0 3 0 18.577 37.153 2.80771 1923.8 34.8 34.6 5.7
30 -1 1 3 18.731 37.463 2.78533 148.8 2.7 2.7 5.7
31 1 -2 2 19.559 39.118 2.67183 158.4 2.9 2.8 5.7
32 0 3 1 20.002 40.004 2.615 296.4 5.4 5.3 5.7
33 0 -3 2 20.078 40.156 2.60549 426.3 7.7 7.6 5.7
34 0 0 4 20.822 41.645 2.51627 623.9 11.3 11.2 5.7
35 0 -1 4 20.919 41.838 2.50513 68.1 1.2 1.2 5.7
36 1 -1 3 21.132 42.265 2.481 971.4 17.6 17.4 5.7
37 0 2 3 21.254 42.508 2.46746 178.4 3.2 3.2 5.7
38 -1 -1 4 21.892 43.784 2.39892 418.5 7.6 7.5 5.7
39 -1 -3 1 21.951 43.903 2.39276 305.1 5.5 5.5 5.7
40 -2 0 1 22.092 44.184 2.37829 1878.6 34.0 33.6 5.7
41 -1 2 3 22.127 44.254 2.37472 409.7 7.4 7.3 5.7
42 1 3 0 22.502 45.004 2.33716 118.1 2.1 2.1 5.7
43 0 1 4 22.608 45.217 2.32672 371.1 6.7 6.6 5.7
44 0 3 2 22.65 45.3 2.32266 928.5 16.8 16.6 5.7
45 0 -3 3 22.765 45.529 2.31158 151.5 2.7 2.7 5.7
46 1 1 3 22.834 45.668 2.30493 427.4 7.7 7.6 5.7
47 1 -2 3 23.066 46.132 2.28301 189.6 3.4 3.4 5.7
48 -1 1 4 23.1 46.201 2.27979 603.8 10.9 10.8 5.7
49 1 -3 2 23.632 47.263 2.23137 88.6 1.6 1.6 5.7
50 -2 1 2 23.74 47.48 2.2218 210.8 3.8 3.8 5.7
51 -2 -1 2 23.789 47.578 2.21748 197.5 3.6 3.5 5.7
52 -1 3 2 23.818 47.637 2.2149 281.0 5.1 5.0 5.7
53 1 3 1 24.273 48.546 2.17585 201.1 3.6 3.6 5.7
54 2 0 1 24.312 48.623 2.1726 243.2 4.4 4.3 5.7
55 2 -1 1 24.566 49.133 2.15146 89.3 1.6 1.6 5.7
56 -1 -3 3 24.629 49.258 2.14634 218.1 3.9 3.9 5.7
57 0 -4 1 24.967 49.935 2.11905 324.1 5.9 5.8 5.7
58 -2 2 1 25.167 50.334 2.10333 55.9 1.0 1.0 5.8
59 -2 2 0 25.245 50.491 2.09724 195.4 3.5 3.5 5.8
60 1 -1 4 25.823 51.645 2.05347 488.7 8.8 8.7 5.8
61 1 0 4 25.937 51.874 2.04503 73.0 1.3 1.3 5.8
62 0 2 4 25.971 51.941 2.04257 102.4 1.9 1.8 5.8
63 -2 -2 1 26.007 52.013 2.03994 396.8 7.2 7.0 5.8
64 0 3 3 26.234 52.469 2.02346 209.9 3.8 3.7 5.8
65 0 -1 5 26.279 52.559 2.02025 274.4 5.0 4.9 5.8
66 -2 -2 2 26.339 52.678 2.016 118.6 2.1 2.1 5.8
67 0 -3 4 26.378 52.756 2.01321 316.7 5.7 5.6 5.8
68 2 -2 1 26.475 52.95 2.00638 502.3 9.1 8.9 5.8
69 -1 0 5 26.512 53.025 2.00375 154.1 2.8 2.7 5.8
70 -1 -1 5 26.604 53.209 1.99732 253.2 4.6 4.5 5.8
71 2 2 0 26.812 53.625 1.98298 146.3 2.6 2.6 5.8
72 -1 4 0 27.03 54.061 1.96818 83.8 1.5 1.5 5.8
73 2 0 2 27.078 54.157 1.96494 124.3 2.3 2.2 5.8
74 2 -1 2 27.136 54.271 1.96111 383.0 6.9 6.8 5.8
75 1 -2 4 27.325 54.65 1.94854 56.5 1.0 1.0 5.8
76 1 -4 1 27.366 54.731 1.94588 387.6 7.0 6.8 5.8
77 -2 -2 3 27.781 55.561 1.91908 268.4 4.9 4.7 5.8
78 -1 -4 1 27.891 55.783 1.91206 177.4 3.2 3.1 5.8
79 0 -4 3 28.045 56.089 1.90245 390.6 7.1 6.9 5.8
80 -2 -1 4 28.272 56.544 1.88842 425.9 7.7 7.5 5.8
81 -1 -4 2 28.342 56.683 1.88416 305.2 5.5 5.4 5.8
82 -2 2 3 28.393 56.787 1.881 100.0 1.8 1.8 5.8
83 1 4 0 28.529 57.057 1.87283 90.6 1.6 1.6 5.8
84 2 1 2 28.587 57.174 1.86932 575.3 10.4 10.1 5.8
85 2 -2 2 28.753 57.505 1.85947 226.5 4.1 4.0 5.8
86 1 -4 2 28.784 57.568 1.85762 362.0 6.6 6.4 5.8
87 -2 1 4 28.921 57.841 1.8496 380.8 6.9 6.7 5.8
88 -2 3 1 28.955 57.91 1.8476 602.7 10.9 10.6 5.8
89 -1 4 2 29.628 59.256 1.8093 116.5 2.1 2.0 5.8
90 -1 -4 3 29.847 59.694 1.79725 286.2 5.2 5.0 5.8
91 -2 -3 1 30.099 60.198 1.78359 301.4 5.5 5.3 5.8
92 -2 -2 4 30.226 60.452 1.77681 200.8 3.6 3.5 5.8
93 1 -3 4 30.281 60.562 1.77389 442.3 8.0 7.7 5.8
94 -1 3 4 30.595 61.191 1.75738 114.9 2.1 2.0 5.8
95 2 0 3 30.705 61.41 1.75173 104.3 1.9 1.8 5.8
96 1 3 3 30.75 61.5 1.7494 226.0 4.1 3.9 5.8
97 1 2 4 30.794 61.589 1.74714 446.4 8.1 7.8 5.8
98 -1 2 5 30.941 61.882 1.73967 419.8 7.6 7.3 5.8
99 2 3 0 30.998 61.996 1.73678 76.6 1.4 1.3 5.8
100 1 -4 3 31.19 62.38 1.72715 398.6 7.2 7.0 5.8
101 1 0 5 31.267 62.535 1.72333 117.9 2.1 2.1 5.8
102 -1 -3 5 31.357 62.713 1.71891 439.0 7.9 7.7 5.8
103 -2 -3 3 31.397 62.793 1.71694 250.0 4.5 4.4 5.9
104 -2 2 4 31.465 62.929 1.71362 180.6 3.3 3.1 5.9
105 -2 0 5 31.621 63.241 1.70603 363.0 6.6 6.3 5.9
106 -1 0 6 31.892 63.784 1.69302 150.1 2.7 2.6 5.9
107 0 5 0 32.07 64.14 1.68463 591.2 10.7 10.3 5.9
108 1 -2 5 32.186 64.372 1.67921 89.4 1.6 1.6 5.9
109 -2 3 3 32.249 64.498 1.67628 796.3 14.4 13.8 5.9
110 -1 -4 4 32.318 64.635 1.6731 101.3 1.8 1.8 5.9
111 -1 4 3 32.395 64.789 1.66956 210.8 3.8 3.7 5.9
112 0 -5 2 32.464 64.929 1.66636 68.7 1.2 1.2 5.9
113 -2 1 5 32.801 65.601 1.65116 78.1 1.4 1.4 5.9
114 1 4 2 32.836 65.671 1.64959 195.7 3.5 3.4 5.9
115 2 3 1 32.883 65.767 1.64747 353.3 6.4 6.1 5.9
116 0 -2 6 33.146 66.292 1.63588 681.9 12.3 11.8 5.9
117 0 5 1 33.367 66.734 1.6263 119.3 2.2 2.1 5.9
118 -2 -3 4 33.525 67.051 1.61949 157.2 2.8 2.7 5.9
119 0 1 6 33.883 67.767 1.6044 67.7 1.2 1.2 5.9
120 -1 5 1 34.382 68.765 1.58392 438.8 7.9 7.6 5.9
121 -3 0 2 34.545 69.091 1.57737 114.9 2.1 2.0 5.9
122 2 -3 3 34.646 69.293 1.57334 71.0 1.3 1.2 5.9
123 -3 1 1 34.734 69.467 1.56988 84.3 1.5 1.5 5.9
124 2 -1 4 34.803 69.607 1.56713 215.7 3.9 3.7 5.9
125 1 5 0 35.201 70.401 1.55169 391.4 7.1 6.7 5.9
126 -2 -4 2 35.232 70.464 1.55049 121.1 2.2 2.1 5.9
127 0 -3 6 35.676 71.352 1.53371 123.1 2.2 2.1 5.9
128 2 -4 2 36.017 72.034 1.52112 504.0 9.1 8.7 5.9
129 2 4 0 36.245 72.49 1.51286 92.2 1.7 1.6 5.9
130 -3 1 3 36.32 72.639 1.51017 420.2 7.6 7.2 6.0
131 3 1 0 36.356 72.711 1.50889 150.6 2.7 2.6 6.0
132 -2 -3 5 36.54 73.08 1.50232 165.2 3.0 2.8 6.0
133 0 -5 4 36.722 73.444 1.49592 158.9 2.9 2.7 6.0
134 0 2 6 36.862 73.724 1.49105 91.0 1.6 1.6 6.0
135 -3 2 0 36.928 73.856 1.48875 387.3 7.0 6.6 6.0
136 3 -1 1 36.967 73.934 1.4874 104.1 1.9 1.8 6.0
137 1 0 6 37.065 74.131 1.48402 351.0 6.4 6.0 6.0
138 -2 -2 6 37.653 75.306 1.46423 61.8 1.1 1.1 6.0
139 -1 0 7 37.748 75.496 1.46108 603.2 10.9 10.3 6.0
140 -2 -4 4 38.011 76.021 1.4525 72.7 1.3 1.2 6.0
141 -1 -5 4 38.047 76.095 1.45131 57.0 1.0 1.0 6.0
142 3 1 1 38.226 76.453 1.44554 150.7 2.7 2.6 6.0
143 -3 -1 4 38.261 76.522 1.44444 309.7 5.6 5.3 6.0
144 -3 -2 3 38.414 76.828 1.43957 91.3 1.7 1.6 6.0
145 1 -4 5 38.545 77.089 1.43544 56.7 1.0 1.0 6.0
146 0 -2 7 39.03 78.06 1.42039 68.9 1.2 1.2 6.0
147 0 -6 1 39.151 78.302 1.4167 69.0 1.2 1.2 6.0
148 -3 3 1 39.45 78.9 1.4077 395.4 7.2 6.7 6.0
149 0 -6 2 39.646 79.292 1.40189 129.7 2.3 2.2 6.0
150 -2 5 1 39.762 79.524 1.39847 314.4 5.7 5.3 6.0
151 1 -3 6 39.874 79.747 1.3952 103.5 1.9 1.7 6.0
152 2 -5 1 39.918 79.836 1.39391 107.5 1.9 1.8 6.0
153 -2 2 6 39.961 79.922 1.39267 76.8 1.4 1.3 6.0
154 -3 3 2 40.048 80.097 1.39013 78.4 1.4 1.3 6.0
155 2 0 5 40.114 80.228 1.38824 163.8 3.0 2.8 6.0
156 0 1 7 40.165 80.33 1.38678 135.6 2.5 2.3 6.0
157 -2 4 4 40.239 80.478 1.38466 170.9 3.1 2.9 6.0
158 -1 4 5 40.377 80.753 1.38074 60.1 1.1 1.0 6.1
159 -3 2 4 40.598 81.197 1.3745 207.2 3.8 3.5 6.1
160 2 -2 5 40.634 81.267 1.37352 219.0 4.0 3.7 6.1
161 0 4 5 40.896 81.791 1.36625 210.9 3.8 3.5 6.1
162 2 4 2 40.947 81.895 1.36483 76.9 1.4 1.3 6.1
163 3 1 2 40.985 81.969 1.36381 91.7 1.7 1.5 6.1
164 0 3 6 41.061 82.122 1.36171 371.4 6.7 6.2 6.1
165 -2 0 7 41.344 82.689 1.35404 113.6 2.1 1.9 6.1
166 -2 -5 1 41.417 82.834 1.3521 158.4 2.9 2.7 6.1
167 -3 1 5 41.563 83.127 1.3482 73.9 1.3 1.2 6.1
168 1 -6 2 41.66 83.32 1.34564 214.9 3.9 3.6 6.1
169 1 2 6 41.798 83.595 1.34202 150.4 2.7 2.5 6.1
170 -2 -2 7 42.518 85.036 1.32351 292.7 5.3 4.9 6.1
171 3 3 0 42.579 85.157 1.32199 68.8 1.2 1.1 6.1
172 -2 1 7 42.707 85.414 1.31878 63.3 1.1 1.1 6.1
173 3 -1 3 42.81 85.62 1.31622 152.9 2.8 2.5 6.1
174 2 -3 5 42.843 85.686 1.3154 126.1 2.3 2.1 6.1
175 -1 -6 3 42.9 85.801 1.31398 231.3 4.2 3.9 6.1
176 0 6 2 43.165 86.33 1.3075 212.7 3.9 3.5 6.1
177 -3 -3 4 43.254 86.508 1.30533 67.2 1.2 1.1 6.1
178 1 -5 5 43.532 87.064 1.29865 169.2 3.1 2.8 6.1
179 2 -5 3 43.717 87.435 1.29425 215.0 3.9 3.6 6.2
180 -3 4 0 43.861 87.721 1.29088 162.3 2.9 2.7 6.2
181 0 -5 6 44.433 88.865 1.27767 331.8 6.0 5.5 6.2
182 2 5 1 44.487 88.975 1.27643 67.2 1.2 1.1 6.2
183 2 2 5 44.794 89.588 1.26953 272.3 4.9 4.5 6.2
184 3 -4 1 44.937 89.874 1.26635 154.7 2.8 2.5 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)
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