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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ZINCOSPIROFFITE
1
Zn(2)Te(3)O(8)
Monoclinic C 2/c Z = 4
C2/c
6 .6 .16
Ref.Str.:
Zhang P.-H. et al. (2004)
* Canad. Mineral., 42, 762-768
Cooper M.A., Hawtorne F.C. (1996)
* Canad. Mineral., 34, 821-826
R: Locality - Zhongshangou Mine, Dongping Au-Te ore field,
Chongli Co., Zhangjiakou Prefecture, Hebei Province, China.
The coordinates of atoms are from spiroffite [1]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.72 alpha = 90.0
b = 5.15 beta = 99.2
c = 11.82 gamma = 90.0
Unit cell volume (cub. angs.) = 764.34
Molar volume ( cub.cm/mol.) = 115.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.3609 0.25 0.0 Te = 1.00
2 0.1378 0.1859 0.0578 0.0 Te = 1.00
3 0.2288 0.1987 0.3505 0.0 Zn = 1.00
4 0.0754 0.0761 0.3532 0.0 O = 1.00
5 0.3846 0.3853 0.3583 0.0 O = 1.00
6 0.1961 0.3612 0.1872 0.0 O = 1.00
7 0.2613 0.0158 0.0289 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.3609 0.25
2 2 0.1378 0.1859 0.0578
3 3 0.2288 0.1987 0.3505
4 4 0.0754 0.0761 0.3532
5 5 0.3846 0.3853 0.3583
6 6 0.1961 0.3612 0.1872
7 7 0.2613 0.0158 0.0289
8 1 0.5 0.6391 0.75
9 2 0.8622 0.8141 0.9422
10 3 0.7712 0.8013 0.6495
11 4 0.9246 0.9239 0.6468
12 5 0.6154 0.6147 0.6417
13 6 0.8039 0.6388 0.8128
14 7 0.7387 0.9842 0.9711
15 2 0.1378 0.8141 0.5578
16 3 0.2288 0.8013 0.8505
17 4 0.0754 0.9239 0.8532
18 5 0.3846 0.6147 0.8583
19 6 0.1961 0.6388 0.6872
20 7 0.2613 0.9842 0.5289
21 2 0.8622 0.1859 0.4422
22 3 0.7712 0.1987 0.1495
23 4 0.9246 0.0761 0.1468
24 5 0.6154 0.3853 0.1417
25 6 0.8039 0.3612 0.3128
26 7 0.7387 0.0158 0.4711
27 1 0.0 0.1391 0.75
28 2 0.6378 0.3141 0.5578
29 3 0.7288 0.3013 0.8505
30 4 0.5754 0.4239 0.8532
31 5 0.8846 0.1147 0.8583
32 6 0.6961 0.1388 0.6872
33 7 0.7613 0.4842 0.5289
34 1 0.0 0.8609 0.25
35 2 0.3622 0.6859 0.4422
36 3 0.2712 0.6987 0.1495
37 4 0.4246 0.5761 0.1468
38 5 0.1154 0.8853 0.1417
39 6 0.3039 0.8612 0.3128
40 7 0.2387 0.5158 0.4711
41 2 0.6378 0.6859 0.0578
42 3 0.7288 0.6987 0.3505
43 4 0.5754 0.5761 0.3532
44 5 0.8846 0.8853 0.3583
45 6 0.6961 0.8612 0.1872
46 7 0.7613 0.5158 0.0289
47 2 0.3622 0.3141 0.9422
48 3 0.2712 0.3013 0.6495
49 4 0.4246 0.4239 0.6468
50 5 0.1154 0.1147 0.6417
51 6 0.3039 0.1388 0.8128
52 7 0.2387 0.4842 0.9711
X-ray density (g/cm cub.) = 5.57
MU (1/cm) = 1019.062 Mass attenuation coefficient (cm**2/g) = 182.848
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Te 2.7 4
2.1 5
2.1 5
1.8061 4
1.8061 4
2 Te 2.7 4
1.828 6
1.8771 7
1.8846 5
2.3405 7
3 Zn 2.628 6
2.056 4
2.1911 5
2.0838 6
2.3578 7
2.066 6
2.1581 7
4 O 3.264 7
3.0539 6
2.9254 7
2.8522 4
2.8073 5
3.2163 6
3.234 7
2.628 5
5 O 3.264 6
2.8817 6
2.8073 4
2.6783 6
2.9072 6
2.5426 7
2.628 4
6 O 3.264 9
3.0539 4
2.8817 5
2.8016 7
3.2163 4
2.9072 5
2.6783 5
3.1724 6
3.1724 6
2.768 7
7 O 3.264 7
2.8016 6
2.9254 4
3.234 4
2.5426 5
2.768 6
2.5111 7
2.8252 7
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 2 0 0 7.047 14.095 0.08 129.9 2 139.4 864.7
2 0 0 2 7.587 15.174 0.086 111.77 2 16.6 10.5
3 1 1 0 9.303 18.607 0.105 73.6 4 289.0 4209.6
4 2 0 -2 9.511 19.023 0.107 70.32 2 23.6 13.4
5 1 1 -1 9.839 19.677 0.111 65.58 4 163.6 1202.0
6 1 1 1 10.27 20.54 0.116 60.01 4 95.9 377.5
7 2 0 2 11.191 22.382 0.126 50.2 2 423.2 3078.6
8 1 1 -2 11.679 23.358 0.131 45.92 4 50.7 80.8
9 1 1 2 12.406 24.812 0.139 40.46 4 76.2 161.0
10 3 1 0 13.718 27.437 0.154 32.72 4 5.3 0.6
11 3 1 -1 13.777 27.554 0.155 32.42 4 518.6 5969.6
12 4 0 0 14.204 28.409 0.159 30.39 2 3.2 0.1
13 1 1 -3 14.356 28.711 0.161 29.71 4 32.7 21.7
14 3 1 1 14.711 29.421 0.165 28.2 4 90.1 156.9
15 3 1 -2 14.875 29.751 0.167 27.53 4 115.4 250.9
16 4 0 -2 15.034 30.068 0.168 26.91 2 460.8 1956.2
17 1 1 3 15.257 30.513 0.171 26.08 4 594.9 6320.1
18 0 0 4 15.312 30.623 0.171 25.88 2 7.5 0.5
19 2 0 -4 15.831 31.663 0.177 24.08 2 577.0 2745.2
20 3 1 2 16.582 33.163 0.185 21.79 4 273.2 1113.7
21 3 1 -3 16.828 33.656 0.188 21.1 4 83.4 100.6
22 4 0 2 17.257 34.514 0.193 19.98 2 363.4 903.3
23 0 2 0 17.406 34.812 0.194 19.61 2 336.6 760.5
24 1 1 -4 17.526 35.052 0.195 19.31 4 243.7 785.1
25 0 2 1 17.839 35.677 0.199 18.58 4 35.2 15.7
26 2 0 4 17.966 35.932 0.2 18.29 2 78.6 38.7
27 1 1 4 18.535 37.069 0.206 17.08 4 132.8 206.3
28 2 2 0 18.864 37.728 0.21 16.43 4 123.8 172.4
29 2 2 -1 19.029 38.058 0.212 16.12 4 357.4 1409.9
30 0 2 2 19.086 38.171 0.212 16.01 4 58.9 38.1
31 3 1 3 19.104 38.209 0.212 15.98 4 126.5 175.0
32 4 0 -4 19.299 38.597 0.215 15.63 2 3.5 0.1
33 3 1 -4 19.409 38.818 0.216 15.43 4 128.7 174.9
34 2 2 1 19.505 39.011 0.217 15.26 4 70.5 51.9
35 5 1 -1 19.763 39.527 0.219 14.82 4 289.8 852.3
36 5 1 0 19.953 39.906 0.222 14.51 4 7.1 0.5
37 2 2 -2 19.983 39.966 0.222 14.46 4 162.0 260.0
38 5 1 -2 20.35 40.701 0.226 13.89 4 270.1 693.5
39 2 2 2 20.89 41.781 0.231 13.1 4 95.7 82.2
40 5 1 1 20.902 41.804 0.232 13.08 4 366.5 1202.9
41 1 1 -5 21.016 42.032 0.233 12.92 4 53.9 25.7
42 0 2 3 21.024 42.048 0.233 12.91 4 402.2 1430.0
43 6 0 0 21.597 43.194 0.239 12.16 2 110.6 50.9
44 2 2 -3 21.64 43.279 0.239 12.1 4 131.1 142.4
45 5 1 -3 21.662 43.323 0.24 12.08 4 44.9 16.6
46 6 0 -2 21.755 43.51 0.241 11.96 2 372.5 568.3
47 3 1 4 22.097 44.195 0.244 11.55 4 118.0 110.1
48 1 1 5 22.102 44.203 0.244 11.54 4 21.6 3.7
49 3 1 -5 22.445 44.89 0.248 11.15 4 250.1 477.5
50 5 1 2 22.532 45.063 0.249 11.05 4 10.2 0.8
51 4 2 -1 22.696 45.392 0.25 10.87 4 98.3 71.9
52 4 2 0 22.762 45.524 0.251 10.8 4 82.6 50.5
53 4 0 4 22.84 45.679 0.252 10.72 2 158.9 92.6
54 2 2 3 22.909 45.818 0.253 10.64 4 282.6 581.9
55 2 0 -6 23.296 46.593 0.257 10.25 2 3.9 0.1
56 4 2 -2 23.325 46.649 0.257 10.22 4 217.6 331.3
57 0 0 6 23.335 46.669 0.257 10.21 2 98.9 34.2
58 0 2 4 23.517 47.034 0.259 10.03 4 60.6 25.2
59 4 2 1 23.518 47.037 0.259 10.03 4 181.9 227.3
60 5 1 -4 23.6 47.201 0.26 9.95 4 51.7 18.2
61 2 2 -4 23.882 47.764 0.263 9.69 4 380.7 961.2
62 6 0 2 24.232 48.463 0.266 9.37 2 271.3 236.1
63 4 2 -3 24.607 49.214 0.27 9.05 4 86.4 46.2
64 6 0 -4 24.664 49.327 0.271 9.0 2 55.1 9.4
65 5 1 3 24.737 49.474 0.272 8.94 4 50.8 15.8
66 1 1 -6 24.749 49.498 0.272 8.93 4 8.3 0.4
67 4 2 2 24.916 49.833 0.273 8.8 4 269.9 438.7
68 3 1 5 25.447 50.894 0.279 8.38 4 329.8 624.5
69 2 2 4 25.447 50.895 0.279 8.38 4 53.4 16.4
70 4 0 -6 25.551 51.101 0.28 8.31 2 10.2 0.3
71 2 0 6 25.658 51.316 0.281 8.23 2 525.3 777.4
72 3 1 -6 25.829 51.658 0.283 8.1 4 39.2 8.5
73 1 1 6 25.9 51.801 0.284 8.05 4 218.8 264.1
74 5 1 -5 26.063 52.126 0.285 7.94 4 380.7 787.9
75 0 2 5 26.453 52.906 0.289 7.68 4 10.0 0.5
76 4 2 -4 26.472 52.945 0.289 7.66 4 227.6 271.7
77 2 2 -5 26.604 53.208 0.291 7.58 4 53.9 15.1
78 7 1 -1 26.713 53.425 0.292 7.51 4 165.2 140.4
79 4 2 3 26.883 53.766 0.294 7.4 4 62.2 19.6
80 1 3 0 26.929 53.857 0.294 7.37 4 319.4 514.9
81 7 1 -2 26.998 53.995 0.295 7.33 4 16.2 1.3
82 7 1 0 27.047 54.094 0.295 7.3 4 173.8 150.9
83 1 3 -1 27.145 54.291 0.296 7.24 4 65.4 21.2
84 1 3 1 27.328 54.655 0.298 7.13 4 118.0 67.9
85 5 1 4 27.421 54.842 0.299 7.07 4 140.1 95.1
86 7 1 -3 27.889 55.778 0.304 6.81 4 444.8 922.1
87 1 3 -2 27.968 55.936 0.304 6.76 4 7.4 0.3
88 7 1 1 27.986 55.971 0.305 6.75 4 130.2 78.4
89 6 2 -1 28.079 56.158 0.306 6.7 4 24.6 2.8
90 6 2 0 28.314 56.628 0.308 6.58 4 82.3 30.5
91 1 3 2 28.325 56.65 0.308 6.57 4 6.8 0.2
92 2 2 5 28.415 56.831 0.309 6.52 4 166.4 123.8
93 6 2 -2 28.444 56.887 0.309 6.51 4 91.7 37.4
94 1 1 -7 28.7 57.401 0.312 6.38 4 544.1 1293.0
95 4 2 -5 28.845 57.69 0.313 6.31 4 464.3 930.7
96 5 1 -6 28.963 57.927 0.314 6.25 4 100.8 43.5
97 3 3 0 29.011 58.023 0.315 6.23 4 144.0 88.4
98 3 3 -1 29.043 58.086 0.315 6.21 4 128.8 70.6
99 6 0 4 29.084 58.169 0.316 6.19 2 458.8 446.1
100 3 1 6 29.095 58.19 0.316 6.18 4 44.1 8.2
101 6 2 1 29.138 58.277 0.316 6.16 4 383.6 621.1
102 8 0 -2 29.17 58.34 0.316 6.15 2 287.5 173.9
103 4 2 4 29.344 58.688 0.318 6.07 4 6.5 0.2
104 7 1 -4 29.35 58.701 0.318 6.06 4 122.1 61.9
105 1 3 -3 29.363 58.727 0.318 6.06 4 99.1 40.7
106 8 0 0 29.391 58.782 0.319 6.05 2 434.6 390.9
107 6 2 -3 29.393 58.785 0.319 6.04 4 215.8 192.8
108 7 1 2 29.49 58.981 0.32 6.0 4 37.3 5.7
109 3 1 -7 29.508 59.016 0.32 5.99 4 38.1 6.0
110 3 3 1 29.565 59.13 0.32 5.97 4 146.5 87.6
111 3 3 -2 29.659 59.319 0.321 5.92 4 58.0 13.7
112 6 0 -6 29.718 59.437 0.322 5.9 2 425.8 366.1
113 2 2 -6 29.727 59.455 0.322 5.89 4 79.5 25.5
114 0 2 6 29.76 59.52 0.322 5.88 4 66.0 17.5
115 4 0 6 29.88 59.76 0.323 5.83 2 222.3 98.5
116 1 3 3 29.881 59.763 0.323 5.82 4 82.8 27.3
117 1 1 7 29.917 59.835 0.324 5.81 4 104.7 43.6
118 5 1 5 30.512 61.025 0.33 5.56 4 242.5 223.8
119 6 2 2 30.522 61.045 0.33 5.56 4 259.8 256.8
120 3 3 2 30.684 61.368 0.331 5.49 4 517.1 1005.1
121 3 3 -3 30.838 61.677 0.333 5.43 4 71.5 19.0
122 6 2 -4 30.893 61.786 0.333 5.41 4 14.8 0.8
123 8 0 -4 31.251 62.502 0.337 5.27 2 228.7 94.4
124 1 3 -4 31.284 62.568 0.337 5.26 4 377.3 512.6
125 7 1 -5 31.332 62.665 0.338 5.24 4 247.7 220.2
126 7 1 3 31.512 63.024 0.339 5.18 4 146.2 75.8
127 2 0 -8 31.516 63.033 0.339 5.18 2 185.2 60.8
128 4 2 -6 31.661 63.322 0.341 5.12 4 45.8 7.4
129 2 2 6 31.755 63.509 0.342 5.09 4 260.0 235.6
130 0 0 8 31.879 63.759 0.343 5.05 2 73.1 9.2
131 8 0 2 31.884 63.769 0.343 5.05 2 178.0 54.7
132 1 3 4 31.949 63.898 0.343 5.02 4 140.0 67.4
133 4 2 5 32.238 64.475 0.346 4.93 4 350.8 415.0
134 5 1 -7 32.246 64.492 0.346 4.92 4 1.3 0.0
135 3 3 3 32.335 64.67 0.347 4.89 4 251.7 212.4
136 6 2 3 32.424 64.849 0.348 4.87 4 173.0 99.7
137 3 3 -4 32.545 65.09 0.349 4.83 4 196.0 127.0
138 5 3 -1 32.791 65.582 0.352 4.75 4 200.9 131.2
139 1 1 -8 32.879 65.757 0.352 4.72 4 53.3 9.2
140 6 2 -5 32.902 65.804 0.353 4.71 4 14.9 0.7
141 5 3 0 32.924 65.848 0.353 4.71 4 67.1 14.5
142 3 1 7 33.022 66.045 0.354 4.68 4 60.2 11.6
143 4 0 -8 33.067 66.134 0.354 4.66 2 427.3 291.5
144 5 3 -2 33.205 66.41 0.355 4.62 4 426.6 576.2
145 2 2 -7 33.208 66.417 0.356 4.62 4 323.0 330.3
146 0 2 7 33.4 66.801 0.357 4.57 4 246.4 189.7
147 3 1 -8 33.466 66.932 0.358 4.55 4 159.3 79.0
148 5 3 1 33.601 67.201 0.359 4.51 4 39.6 4.8
149 1 3 -5 33.683 67.366 0.36 4.49 4 161.6 80.2
150 7 1 -6 33.788 67.577 0.361 4.46 4 219.4 146.9
151 5 1 6 33.969 67.938 0.363 4.41 4 66.6 13.4
152 7 1 4 34.004 68.008 0.363 4.4 4 182.4 100.1
153 2 0 8 34.124 68.247 0.364 4.37 2 131.7 25.9
154 5 3 -3 34.156 68.311 0.364 4.36 4 77.6 18.0
155 1 1 8 34.168 68.336 0.365 4.35 4 41.9 5.2
156 9 1 -1 34.444 68.888 0.367 4.28 4 208.9 127.9
157 3 3 4 34.479 68.959 0.367 4.27 4 64.2 12.1
158 1 3 5 34.483 68.965 0.367 4.27 4 84.7 21.0
159 9 1 -2 34.531 69.062 0.368 4.26 4 7.9 0.2
160 8 2 -1 34.716 69.431 0.37 4.21 4 221.6 141.7
161 3 3 -5 34.74 69.481 0.37 4.21 4 36.8 3.9
162 6 2 4 34.804 69.607 0.37 4.19 4 212.0 129.0
163 5 3 2 34.805 69.611 0.371 4.19 4 68.3 13.4
164 4 2 -7 34.878 69.756 0.371 4.17 4 7.7 0.2
165 8 2 -2 34.881 69.763 0.371 4.17 4 195.6 109.3
166 9 1 0 34.891 69.781 0.371 4.17 4 120.6 41.6
167 8 2 0 35.082 70.164 0.373 4.13 4 200.7 113.8
168 9 1 -3 35.15 70.301 0.374 4.11 4 29.0 2.4
169 6 2 -6 35.38 70.76 0.376 4.06 4 182.5 92.5
170 8 0 -6 35.401 70.803 0.376 4.05 2 142.9 28.3
171 2 2 7 35.44 70.879 0.376 4.04 4 104.6 30.3
172 4 2 6 35.528 71.055 0.377 4.02 4 238.4 156.5
173 8 2 -3 35.576 71.153 0.378 4.01 4 291.5 233.4
174 6 0 6 35.608 71.215 0.378 4.0 2 198.5 54.0
175 5 3 -4 35.623 71.247 0.378 4.0 4 126.2 43.6
176 9 1 1 35.863 71.725 0.38 3.95 4 176.5 84.2
177 5 1 -8 35.885 71.769 0.38 3.94 4 73.9 14.7
178 8 2 1 35.974 71.947 0.381 3.92 4 114.6 35.3
179 9 1 -4 36.29 72.58 0.384 3.86 4 123.1 40.0
180 8 0 4 36.393 72.785 0.385 3.84 2 10.4 0.1
181 6 0 -8 36.406 72.812 0.385 3.84 2 224.4 66.1
182 5 3 3 36.515 73.031 0.386 3.81 4 72.7 13.8
183 1 3 -6 36.525 73.049 0.386 3.81 4 19.5 1.0
184 7 1 -7 36.683 73.366 0.388 3.78 4 59.3 9.1
185 0 4 0 36.747 73.493 0.388 3.77 2 126.2 20.5
186 8 2 -4 36.788 73.576 0.389 3.76 4 24.0 1.5
187 7 1 5 36.933 73.865 0.39 3.73 4 262.9 176.7
188 0 4 1 37.007 74.013 0.391 3.72 4 122.2 38.0
189 2 2 -8 37.033 74.067 0.391 3.71 4 44.8 5.1
190 3 3 5 37.084 74.168 0.391 3.7 4 17.9 0.8
191 3 1 8 37.242 74.484 0.393 3.68 4 123.4 38.3
192 1 1 -9 37.316 74.632 0.394 3.66 4 1.0 0.0
193 10 0 -2 37.338 74.676 0.394 3.66 2 258.4 83.6
194 9 1 2 37.343 74.685 0.394 3.66 4 194.6 94.8
195 0 2 8 37.371 74.741 0.394 3.65 4 128.7 41.4
196 8 2 2 37.375 74.75 0.394 3.65 4 94.0 22.1
197 3 3 -6 37.393 74.787 0.394 3.65 4 37.0 3.4
198 1 3 6 37.451 74.902 0.395 3.64 4 350.7 306.3
199 5 3 -5 37.584 75.167 0.396 3.61 4 26.7 1.8
200 6 2 5 37.629 75.258 0.396 3.61 4 36.1 3.2
201 2 4 0 37.642 75.284 0.396 3.6 4 162.0 64.8
202 3 1 -9 37.719 75.439 0.397 3.59 4 86.0 18.2
203 2 4 -1 37.747 75.494 0.397 3.59 4 381.2 356.8
204 5 1 7 37.781 75.562 0.398 3.58 4 169.6 70.5
205 0 4 2 37.783 75.566 0.398 3.58 4 143.6 50.6
206 10 0 0 37.84 75.68 0.398 3.57 2 65.2 5.2
207 9 1 -5 37.931 75.863 0.399 3.56 4 104.9 26.8
208 2 4 1 38.053 76.106 0.4 3.54 4 70.6 12.1
209 4 0 8 38.091 76.182 0.4 3.53 2 335.8 136.2
210 7 3 -1 38.118 76.235 0.401 3.52 4 82.2 16.3
211 6 2 -7 38.3 76.6 0.402 3.5 4 33.0 2.6
212 7 3 -2 38.354 76.708 0.403 3.49 4 72.6 12.6
213 2 4 -2 38.366 76.731 0.403 3.49 4 53.3 6.8
214 7 3 0 38.395 76.79 0.403 3.48 4 262.0 163.6
215 4 2 -8 38.48 76.96 0.404 3.47 4 249.2 147.4
216 8 2 -5 38.498 76.996 0.404 3.46 4 31.4 2.3
217 1 1 9 38.693 77.385 0.406 3.43 4 217.3 111.1
218 5 3 4 38.707 77.414 0.406 3.43 4 241.3 136.9
219 10 0 -4 38.896 77.791 0.408 3.4 2 314.2 115.1
220 2 4 2 38.974 77.948 0.408 3.39 4 138.2 44.4
221 0 4 3 39.065 78.13 0.409 3.38 4 291.2 196.2
222 7 3 -3 39.101 78.202 0.409 3.38 4 18.4 0.8
223 7 3 1 39.183 78.365 0.41 3.36 4 71.9 11.9
224 4 2 7 39.203 78.406 0.41 3.36 4 92.6 19.7
225 8 2 3 39.269 78.538 0.411 3.35 4 196.2 88.4
226 9 1 3 39.313 78.625 0.411 3.35 4 288.3 190.3
227 2 2 8 39.476 78.952 0.413 3.32 4 7.3 0.1
228 2 4 -3 39.491 78.982 0.413 3.32 4 155.6 55.0
229 1 3 -7 39.791 79.582 0.415 3.28 4 61.4 8.5
230 5 1 -9 39.885 79.769 0.416 3.27 4 294.5 194.1
231 7 1 -8 40.0 80.0 0.417 3.25 4 49.6 5.5
232 5 3 -6 40.017 80.034 0.417 3.25 4 161.8 58.3
233 9 1 -6 40.057 80.115 0.418 3.25 4 40.8 3.7
234 3 3 6 40.13 80.26 0.418 3.24 4 76.7 13.1
235 4 4 -1 40.241 80.482 0.419 3.22 4 21.8 1.0
236 7 1 6 40.284 80.568 0.42 3.22 4 108.3 25.8
237 4 4 0 40.289 80.578 0.42 3.22 4 35.1 2.7
238 7 3 -4 40.351 80.702 0.42 3.21 4 130.3 37.3
239 10 0 2 40.377 80.754 0.421 3.21 2 308.1 104.3
240 2 4 3 40.395 80.791 0.421 3.21 4 93.3 19.1
241 7 3 2 40.472 80.944 0.421 3.2 4 54.7 6.6
242 3 3 -7 40.487 80.975 0.421 3.2 4 163.2 58.3
243 2 0 -10 40.685 81.37 0.423 3.17 2 111.2 13.4
244 8 2 -6 40.691 81.381 0.423 3.17 4 41.8 3.8
245 4 4 -2 40.699 81.399 0.423 3.17 4 165.5 59.4
246 0 4 4 40.841 81.682 0.424 3.16 4 98.6 21.0
247 4 4 1 40.842 81.684 0.425 3.16 4 66.9 9.7
248 1 3 7 40.844 81.688 0.425 3.16 4 127.1 34.9
249 6 2 6 40.888 81.776 0.425 3.15 4 24.7 1.3
250 2 4 -4 41.113 82.225 0.427 3.13 4 82.8 14.7
251 2 2 -9 41.221 82.443 0.428 3.11 4 42.3 3.8
252 0 0 10 41.313 82.625 0.429 3.11 2 482.0 247.0
253 5 3 5 41.366 82.733 0.429 3.1 4 11.1 0.3
254 8 0 -8 41.375 82.75 0.429 3.1 2 129.2 17.7
255 8 2 4 41.641 83.282 0.431 3.07 4 68.9 10.0
256 6 2 -8 41.654 83.307 0.431 3.07 4 152.6 48.9
257 4 4 -3 41.66 83.319 0.431 3.07 4 12.6 0.3
258 0 2 9 41.698 83.396 0.432 3.07 4 60.8 7.8
259 9 1 4 41.759 83.517 0.432 3.06 4 56.0 6.6
260 3 1 9 41.797 83.595 0.433 3.06 4 241.1 121.6
261 4 0 -10 41.798 83.596 0.433 3.06 2 59.6 3.7
262 4 4 2 41.896 83.793 0.433 3.05 4 90.0 16.9
263 5 1 8 41.968 83.936 0.434 3.04 4 160.1 53.4
264 1 1 -10 42.073 84.146 0.435 3.03 4 164.9 56.4
265 7 3 -5 42.094 84.188 0.435 3.03 4 154.0 49.2
266 7 3 3 42.255 84.509 0.436 3.02 4 12.1 0.3
267 2 4 4 42.308 84.615 0.437 3.01 4 106.5 23.4
268 3 1 -10 42.315 84.631 0.437 3.01 4 23.7 1.2
269 10 0 -6 42.448 84.897 0.438 3.0 2 129.3 17.2
270 4 2 -9 42.481 84.962 0.438 3.0 4 54.2 6.0
271 10 2 -1 42.546 85.092 0.439 2.99 4 271.2 150.5
272 10 2 -2 42.553 85.106 0.439 2.99 4 110.6 25.0
273 9 1 -7 42.658 85.316 0.44 2.98 4 332.9 226.2
274 8 0 6 42.7 85.401 0.44 2.98 2 244.9 61.1
275 5 3 -7 42.915 85.831 0.442 2.96 4 86.8 15.3
276 10 2 0 43.04 86.079 0.443 2.95 4 100.4 20.4
277 10 2 -3 43.061 86.122 0.443 2.95 4 107.7 23.4
278 11 1 -2 43.089 86.178 0.443 2.95 4 98.8 19.7
279 0 4 5 43.101 86.203 0.444 2.95 4 86.4 15.0
280 4 4 -4 43.117 86.234 0.444 2.95 4 162.1 53.0
281 11 1 -1 43.156 86.313 0.444 2.94 4 227.5 104.2
282 2 4 -5 43.222 86.445 0.445 2.94 4 108.2 23.5
283 4 2 8 43.284 86.567 0.445 2.93 4 160.7 51.8
284 8 2 -7 43.359 86.717 0.446 2.93 4 228.2 104.4
285 4 4 3 43.447 86.894 0.446 2.92 4 244.4 119.4
286 1 3 -8 43.491 86.981 0.447 2.92 4 84.2 14.2
287 11 1 -3 43.522 87.044 0.447 2.92 4 104.2 21.7
288 1 1 10 43.562 87.123 0.447 2.91 4 162.0 52.3
289 3 3 7 43.622 87.244 0.448 2.91 4 40.3 3.2
290 6 0 8 43.657 87.313 0.448 2.91 2 113.5 12.8
291 2 0 10 43.669 87.338 0.448 2.91 2 121.0 14.6
292 11 1 0 43.724 87.447 0.449 2.9 4 37.7 2.8
293 7 1 -9 43.751 87.501 0.449 2.9 4 192.9 73.9
294 2 2 9 43.903 87.806 0.45 2.89 4 317.4 199.4
295 3 3 -8 44.029 88.058 0.451 2.88 4 385.9 294.0
296 10 2 1 44.033 88.065 0.451 2.88 4 130.7 33.7
297 10 2 -4 44.069 88.137 0.451 2.88 4 217.2 93.0
298 7 1 7 44.07 88.141 0.451 2.88 4 280.9 155.6
299 5 1 -10 44.285 88.57 0.453 2.87 4 1.7 0.0
300 7 3 -6 44.326 88.653 0.454 2.86 4 328.6 211.7
301 6 4 -1 44.427 88.854 0.454 2.86 4 184.8 66.8
302 11 1 -4 44.455 88.909 0.455 2.86 4 73.2 10.5
303 8 2 5 44.489 88.979 0.455 2.86 4 9.6 0.2
304 5 3 6 44.494 88.988 0.455 2.86 4 109.8 23.6
305 7 3 4 44.526 89.052 0.455 2.85 4 222.3 96.5
306 6 2 7 44.593 89.187 0.456 2.85 4 223.7 97.7
307 6 4 0 44.623 89.245 0.456 2.85 4 146.9 42.1
308 6 0 -10 44.633 89.267 0.456 2.85 2 32.9 1.1
309 1 3 8 44.678 89.357 0.456 2.84 4 41.3 3.3
310 9 1 5 44.681 89.361 0.456 2.84 4 224.5 98.1
311 2 4 5 44.707 89.415 0.457 2.84 4 16.9 0.6
312 6 4 -2 44.731 89.462 0.457 2.84 4 86.9 14.7
313 11 1 1 44.79 89.58 0.457 2.84 4 248.3 119.9
314 10 0 4 44.877 89.755 0.458 2.83 2 105.9 10.9
315 9 3 -1 44.935 89.87 0.458 2.83 4 74.3 10.7
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 2 0 0 7.047 14.095 6.27819 864.7 13.7 13.8 5.6
2 1 1 0 9.303 18.607 4.7648 4209.6 66.6 67.2 5.6
3 1 1 -1 9.839 19.677 4.50792 1202.0 19.0 19.2 5.6
4 1 1 1 10.27 20.54 4.32037 377.5 6.0 6.0 5.6
5 2 0 2 11.191 22.382 3.96893 3078.6 48.7 49.0 5.6
6 1 1 -2 11.679 23.358 3.80521 80.8 1.3 1.3 5.6
7 1 1 2 12.406 24.812 3.58534 161.0 2.5 2.6 5.6
8 3 1 -1 13.777 27.554 3.23448 5969.6 94.5 94.7 5.6
9 3 1 1 14.711 29.421 3.03336 156.9 2.5 2.5 5.6
10 3 1 -2 14.875 29.751 3.00051 250.9 4.0 4.0 5.6
11 4 0 -2 15.034 30.068 2.96953 1956.2 31.0 31.0 5.6
12 1 1 3 15.257 30.513 2.92726 6320.1 100.0 100.0 5.6
13 2 0 -4 15.831 31.663 2.82352 2745.2 43.4 43.4 5.6
14 3 1 2 16.582 33.163 2.69911 1113.7 17.6 17.6 5.6
15 3 1 -3 16.828 33.656 2.66074 100.6 1.6 1.6 5.7
16 4 0 2 17.257 34.514 2.59653 903.3 14.3 14.2 5.7
17 0 2 0 17.406 34.812 2.575 760.5 12.0 12.0 5.7
18 1 1 -4 17.526 35.052 2.55788 785.1 12.4 12.4 5.7
19 1 1 4 18.535 37.069 2.42321 206.3 3.3 3.2 5.7
20 2 2 0 18.864 37.728 2.3824 172.4 2.7 2.7 5.7
21 2 2 -1 19.029 38.058 2.3625 1409.9 22.3 22.2 5.7
22 3 1 3 19.104 38.209 2.3535 213.0 3.4 3.3 5.7
23 3 1 -4 19.409 38.818 2.31793 174.9 2.8 2.7 5.7
24 5 1 -1 19.763 39.527 2.27801 852.3 13.5 13.4 5.7
25 2 2 -2 19.983 39.966 2.25396 260.0 4.1 4.1 5.7
26 5 1 -2 20.35 40.701 2.21498 693.5 11.0 10.9 5.7
27 5 1 1 20.902 41.804 2.15902 1285.1 20.3 20.1 5.7
28 0 2 3 21.024 42.048 2.14707 1455.7 23.0 22.8 5.7
29 2 2 -3 21.64 43.279 2.08879 159.0 2.5 2.5 5.7
30 6 0 -2 21.755 43.51 2.07826 568.3 9.0 8.9 5.7
31 3 1 4 22.097 44.195 2.04763 113.8 1.8 1.8 5.7
32 3 1 -5 22.445 44.89 2.0175 477.5 7.6 7.5 5.7
33 4 2 -1 22.696 45.392 1.99636 71.9 1.1 1.1 5.7
34 4 0 4 22.84 45.679 1.98447 92.6 1.5 1.4 5.7
35 2 2 3 22.909 45.818 1.97879 581.9 9.2 9.1 5.7
36 4 2 -2 23.325 46.649 1.94544 365.5 5.8 5.7 5.7
37 4 2 1 23.518 47.037 1.93032 252.5 4.0 3.9 5.7
38 2 2 -4 23.882 47.764 1.9026 961.2 15.2 15.0 5.7
39 6 0 2 24.232 48.463 1.87677 236.1 3.7 3.7 5.7
40 4 2 2 24.916 49.833 1.82837 438.7 6.9 6.8 5.7
41 3 1 5 25.447 50.894 1.7927 640.8 10.1 9.9 5.8
42 2 0 6 25.658 51.316 1.77894 777.4 12.3 12.0 5.8
43 1 1 6 25.9 51.801 1.76344 264.1 4.2 4.1 5.8
44 5 1 -5 26.063 52.126 1.7532 787.9 12.5 12.2 5.8
45 4 2 -4 26.472 52.945 1.72799 271.7 4.3 4.2 5.8
46 7 1 -1 26.713 53.425 1.71357 140.4 2.2 2.2 5.8
47 1 3 0 26.929 53.857 1.70084 514.9 8.1 7.9 5.8
48 7 1 0 27.047 54.094 1.69396 150.9 2.4 2.3 5.8
49 1 3 1 27.328 54.655 1.67788 67.9 1.1 1.0 5.8
50 5 1 4 27.421 54.842 1.67261 95.1 1.5 1.5 5.8
51 7 1 -3 27.889 55.778 1.64673 922.1 14.6 14.2 5.8
52 7 1 1 27.986 55.971 1.64151 78.4 1.2 1.2 5.8
53 2 2 5 28.415 56.831 1.61871 161.2 2.6 2.5 5.8
54 1 1 -7 28.7 57.401 1.60398 1293.0 20.5 19.9 5.8
55 4 2 -5 28.845 57.69 1.59662 930.7 14.7 14.3 5.8
56 3 3 0 29.011 58.023 1.58827 88.4 1.4 1.4 5.8
57 3 3 -1 29.043 58.086 1.58667 70.6 1.1 1.1 5.8
58 6 0 4 29.084 58.169 1.58462 454.3 7.2 7.0 5.8
59 6 2 1 29.138 58.277 1.58195 621.1 9.8 9.5 5.8
60 8 0 -2 29.17 58.34 1.58037 173.9 2.8 2.7 5.8
61 7 1 -4 29.35 58.701 1.57153 102.6 1.6 1.6 5.8
62 8 0 0 29.391 58.782 1.56955 583.7 9.2 9.0 5.8
63 3 3 1 29.565 59.13 1.56114 87.6 1.4 1.3 5.8
64 6 0 -6 29.718 59.437 1.55381 391.5 6.2 6.0 5.8
65 4 0 6 29.88 59.76 1.54617 125.9 2.0 1.9 5.8
66 6 2 2 30.522 61.045 1.51668 480.6 7.6 7.3 5.8
67 3 3 2 30.684 61.368 1.50945 1005.1 15.9 15.4 5.8
68 8 0 -4 31.251 62.502 1.48476 94.4 1.5 1.4 5.8
69 1 3 -4 31.284 62.568 1.48336 512.6 8.1 7.8 5.8
70 7 1 -5 31.332 62.665 1.4813 220.2 3.5 3.4 5.8
71 7 1 3 31.512 63.024 1.47372 136.5 2.2 2.1 5.9
72 2 2 6 31.755 63.509 1.46363 235.6 3.7 3.6 5.9
73 8 0 2 31.884 63.769 1.45829 63.9 1.0 1.0 5.9
74 1 3 4 31.949 63.898 1.45566 67.4 1.1 1.0 5.9
75 4 2 5 32.238 64.475 1.444 415.0 6.6 6.3 5.9
76 3 3 3 32.335 64.67 1.44012 212.4 3.4 3.2 5.9
77 6 2 3 32.424 64.849 1.43659 99.7 1.6 1.5 5.9
78 3 3 -4 32.545 65.09 1.43186 127.0 2.0 1.9 5.9
79 5 3 -1 32.791 65.582 1.4223 131.2 2.1 2.0 5.9
80 4 0 -8 33.067 66.134 1.41176 291.5 4.6 4.4 5.9
81 5 3 -2 33.205 66.41 1.40656 906.4 14.3 13.7 5.9
82 0 2 7 33.4 66.801 1.39927 189.7 3.0 2.9 5.9
83 3 1 -8 33.466 66.932 1.39685 79.0 1.2 1.2 5.9
84 1 3 -5 33.683 67.366 1.38889 80.2 1.3 1.2 5.9
85 7 1 -6 33.788 67.577 1.38508 146.9 2.3 2.2 5.9
86 7 1 4 34.004 68.008 1.37734 100.1 1.6 1.5 5.9
87 9 1 -1 34.444 68.888 1.36189 127.9 2.0 1.9 5.9
88 8 2 -1 34.716 69.431 1.35255 145.6 2.3 2.2 5.9
89 6 2 4 34.804 69.607 1.34956 142.4 2.3 2.1 5.9
90 8 2 -2 34.881 69.763 1.34692 150.9 2.4 2.3 5.9
91 8 2 0 35.082 70.164 1.34021 113.8 1.8 1.7 5.9
92 6 2 -6 35.38 70.76 1.33037 120.8 1.9 1.8 5.9
93 4 2 6 35.528 71.055 1.32557 156.5 2.5 2.4 5.9
94 8 2 -3 35.576 71.153 1.32398 233.4 3.7 3.5 5.9
95 6 0 6 35.608 71.215 1.32298 97.7 1.5 1.5 5.9
96 9 1 1 35.863 71.725 1.31482 98.9 1.6 1.5 5.9
97 6 0 -8 36.406 72.812 1.29786 66.1 1.0 1.0 6.0
98 7 1 5 36.933 73.865 1.28193 176.7 2.8 2.6 6.0
99 9 1 2 37.343 74.685 1.26987 245.3 3.9 3.7 6.0
100 1 3 6 37.451 74.902 1.26673 306.3 4.8 4.6 6.0
101 2 4 0 37.642 75.284 1.26125 68.0 1.1 1.0 6.0
102 2 4 -1 37.747 75.494 1.25827 374.9 5.9 5.6 6.0
103 5 1 7 37.781 75.562 1.25731 121.0 1.9 1.8 6.0
104 4 0 8 38.091 76.182 1.24861 152.5 2.4 2.3 6.0
105 7 3 0 38.395 76.79 1.24023 163.6 2.6 2.4 6.0
106 4 2 -8 38.48 76.96 1.23792 149.8 2.4 2.2 6.0
107 5 3 4 38.707 77.414 1.23178 248.0 3.9 3.7 6.0
108 10 0 -4 38.896 77.791 1.22675 115.1 1.8 1.7 6.0
109 0 4 3 39.065 78.13 1.22227 196.2 3.1 2.9 6.0
110 8 2 3 39.269 78.538 1.21695 88.4 1.4 1.3 6.0
111 9 1 3 39.313 78.625 1.21581 190.3 3.0 2.8 6.0
112 5 1 -9 39.885 79.769 1.20123 194.1 3.1 2.9 6.0
113 5 3 -6 40.017 80.034 1.19792 63.8 1.0 0.9 6.0
114 10 0 2 40.377 80.754 1.18905 160.8 2.5 2.4 6.1
115 3 3 -7 40.487 80.975 1.18636 64.8 1.0 1.0 6.1
116 4 4 -2 40.699 81.399 1.18125 76.7 1.2 1.1 6.1
117 1 3 7 40.844 81.688 1.1778 65.6 1.0 1.0 6.1
118 0 0 10 41.313 82.625 1.1668 247.0 3.9 3.6 6.1
119 3 1 9 41.797 83.595 1.15571 125.3 2.0 1.8 6.1
120 1 1 -10 42.073 84.146 1.14954 105.6 1.7 1.5 6.1
121 10 2 -1 42.546 85.092 1.13916 175.6 2.8 2.6 6.1
122 9 1 -7 42.658 85.316 1.13675 226.2 3.6 3.3 6.1
123 4 4 -4 43.117 86.234 1.12698 87.7 1.4 1.3 6.1
124 11 1 -1 43.156 86.313 1.12616 104.2 1.6 1.5 6.1
125 8 2 -7 43.359 86.717 1.12194 104.4 1.7 1.5 6.1
126 4 4 3 43.447 86.894 1.12011 119.4 1.9 1.7 6.1
127 7 1 -9 43.751 87.501 1.11389 76.7 1.2 1.1 6.2
128 2 2 9 43.903 87.806 1.11081 199.4 3.2 2.9 6.2
129 3 3 -8 44.029 88.058 1.10828 327.6 5.2 4.7 6.2
130 7 1 7 44.07 88.141 1.10745 248.6 3.9 3.6 6.2
131 7 3 -6 44.326 88.653 1.10238 211.7 3.4 3.1 6.2
132 6 4 -1 44.427 88.854 1.1004 77.3 1.2 1.1 6.2
133 7 3 4 44.526 89.052 1.09846 96.5 1.5 1.4 6.2
134 6 2 7 44.593 89.187 1.09715 139.8 2.2 2.0 6.2
135 9 1 5 44.681 89.361 1.09546 102.0 1.6 1.5 6.2
136 11 1 1 44.79 89.58 1.09336 119.9 1.9 1.7 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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