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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NABOKOITE
1
Cu(7)TeO(4)[SO(4)](5).KCl
Tetragonal * P4/ncc Z = 4
R =0.073
3 .4 .1995
Ref.Str.:
Pertlik F., Zemann J. (1988)
* Minerology and Petrology, 38, 291-298
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.833 alpha = 90.0
b = 9.833 beta = 90.0
c = 20.591 gamma = 90.0
Unit cell volume (cub. angs.) = 1990.9
Molar volume ( cub.cm/mol.) = 299.8
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4857 0.2738 0.8952 0.0 Cu = 1.00
2 0.25 0.25 0.6985 0.0 Cu = 1.00
3 0.0 0.0 0.0 0.0 Cu = 1.00
4 0.25 0.25 0.996 0.0 Te = 1.00
5 0.5681 0.9937 0.8525 0.0 S = 1.00
6 0.75 0.25 0.0 0.0 S = 1.00
7 0.4255 0.9544 0.8381 0.0 O = 1.00
8 0.6624 0.9297 0.8089 0.0 O = 1.00
9 0.5844 0.1421 0.8437 0.0 O = 1.00
10 0.6024 0.956 0.9202 0.0 O = 1.00
11 0.6545 0.3294 0.9601 0.0 O = 1.00
12 0.3655 0.3912 0.9499 0.0 O = 1.00
13 0.75 0.25 0.75 0.0 K = 1.00
14 0.25 0.25 0.8225 0.0 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4857 0.2738 0.8952
2 2 0.25 0.25 0.6985
3 3 0.0 0.0 0.0
4 4 0.25 0.25 0.996
5 5 0.5681 0.9937 0.8525
6 6 0.75 0.25 0.0
7 7 0.4255 0.9544 0.8381
8 8 0.6624 0.9297 0.8089
9 9 0.5844 0.1421 0.8437
10 10 0.6024 0.956 0.9202
11 11 0.6545 0.3294 0.9601
12 12 0.3655 0.3912 0.9499
13 13 0.75 0.25 0.75
14 14 0.25 0.25 0.8225
15 1 0.2262 0.4857 0.8952
16 1 0.0143 0.2262 0.8952
17 1 0.2738 0.0143 0.8952
18 3 0.5 0.0 0.0
19 3 0.5 0.5 0.0
20 3 0.0 0.5 0.0
21 5 0.5063 0.5681 0.8525
22 5 0.9319 0.5063 0.8525
23 5 0.9937 0.9319 0.8525
24 6 0.25 0.75 0.0
25 7 0.5456 0.4255 0.8381
26 7 0.0745 0.5456 0.8381
27 7 0.9544 0.0745 0.8381
28 8 0.5703 0.6624 0.8089
29 8 0.8376 0.5703 0.8089
30 8 0.9297 0.8376 0.8089
31 9 0.3579 0.5844 0.8437
32 9 0.9156 0.3579 0.8437
33 9 0.1421 0.9156 0.8437
34 10 0.544 0.6024 0.9202
35 10 0.8976 0.544 0.9202
36 10 0.956 0.8976 0.9202
37 11 0.1706 0.6545 0.9601
38 11 0.8455 0.1706 0.9601
39 11 0.3294 0.8455 0.9601
40 12 0.1088 0.3655 0.9499
41 12 0.1345 0.1088 0.9499
42 12 0.3912 0.1345 0.9499
43 13 0.25 0.75 0.75
44 1 0.0143 0.2738 0.3952
45 2 0.25 0.25 0.1985
46 3 0.5 0.0 0.5
47 4 0.25 0.25 0.496
48 5 0.9319 0.9937 0.3525
49 6 0.75 0.25 0.5
50 7 0.0745 0.9544 0.3381
51 8 0.8376 0.9297 0.3089
52 9 0.9156 0.1421 0.3437
53 10 0.8976 0.956 0.4202
54 11 0.8455 0.3294 0.4601
55 12 0.1345 0.3912 0.4499
56 13 0.75 0.25 0.25
57 14 0.25 0.25 0.3225
58 1 0.2738 0.4857 0.3952
59 1 0.4857 0.2262 0.3952
60 1 0.2262 0.0143 0.3952
61 3 0.0 0.0 0.5
62 3 0.0 0.5 0.5
63 3 0.5 0.5 0.5
64 5 0.9937 0.5681 0.3525
65 5 0.5681 0.5063 0.3525
66 5 0.5063 0.9319 0.3525
67 6 0.25 0.75 0.5
68 7 0.9544 0.4255 0.3381
69 7 0.4255 0.5456 0.3381
70 7 0.5456 0.0745 0.3381
71 8 0.9297 0.6624 0.3089
72 8 0.6624 0.5703 0.3089
73 8 0.5703 0.8376 0.3089
74 9 0.1421 0.5844 0.3437
75 9 0.5844 0.3579 0.3437
76 9 0.3579 0.9156 0.3437
77 10 0.956 0.6024 0.4202
78 10 0.6024 0.544 0.4202
79 10 0.544 0.8976 0.4202
80 11 0.3294 0.6545 0.4601
81 11 0.6545 0.1706 0.4601
82 11 0.1706 0.8455 0.4601
83 12 0.3912 0.3655 0.4499
84 12 0.3655 0.1088 0.4499
85 12 0.1088 0.1345 0.4499
86 13 0.25 0.75 0.25
87 1 0.9857 0.7738 0.1048
88 2 0.75 0.75 0.3015
89 4 0.75 0.75 0.004
90 5 0.0681 0.4937 0.1475
91 7 0.9255 0.4544 0.1619
92 8 0.1624 0.4297 0.1911
93 9 0.0844 0.6421 0.1563
94 10 0.1024 0.456 0.0798
95 11 0.1545 0.8294 0.0399
96 12 0.8655 0.8912 0.0501
97 14 0.75 0.75 0.1775
98 1 0.7262 0.9857 0.1048
99 1 0.5143 0.7262 0.1048
100 1 0.7738 0.5143 0.1048
101 5 0.0063 0.0681 0.1475
102 5 0.4319 0.0063 0.1475
103 5 0.4937 0.4319 0.1475
104 7 0.0456 0.9255 0.1619
105 7 0.5745 0.0456 0.1619
106 7 0.4544 0.5745 0.1619
107 8 0.0703 0.1624 0.1911
108 8 0.3376 0.0703 0.1911
109 8 0.4297 0.3376 0.1911
110 9 0.8579 0.0844 0.1563
111 9 0.4156 0.8579 0.1563
112 9 0.6421 0.4156 0.1563
113 10 0.044 0.1024 0.0798
114 10 0.3976 0.044 0.0798
115 10 0.456 0.3976 0.0798
116 11 0.6706 0.1545 0.0399
117 11 0.3455 0.6706 0.0399
118 11 0.8294 0.3455 0.0399
119 12 0.6088 0.8655 0.0501
120 12 0.6345 0.6088 0.0501
121 12 0.8912 0.6345 0.0501
122 1 0.5143 0.7738 0.6048
123 2 0.75 0.75 0.8015
124 4 0.75 0.75 0.504
125 5 0.4319 0.4937 0.6475
126 7 0.5745 0.4544 0.6619
127 8 0.3376 0.4297 0.6911
128 9 0.4156 0.6421 0.6563
129 10 0.3976 0.456 0.5798
130 11 0.3455 0.8294 0.5399
131 12 0.6345 0.8912 0.5501
132 14 0.75 0.75 0.6775
133 1 0.7738 0.9857 0.6048
134 1 0.9857 0.7262 0.6048
135 1 0.7262 0.5143 0.6048
136 5 0.4937 0.0681 0.6475
137 5 0.0681 0.0063 0.6475
138 5 0.0063 0.4319 0.6475
139 7 0.4544 0.9255 0.6619
140 7 0.9255 0.0456 0.6619
141 7 0.0456 0.5745 0.6619
142 8 0.4297 0.1624 0.6911
143 8 0.1624 0.0703 0.6911
144 8 0.0703 0.3376 0.6911
145 9 0.6421 0.0844 0.6563
146 9 0.0844 0.8579 0.6563
147 9 0.8579 0.4156 0.6563
148 10 0.456 0.1024 0.5798
149 10 0.1024 0.044 0.5798
150 10 0.044 0.3976 0.5798
151 11 0.8294 0.1545 0.5399
152 11 0.1545 0.6706 0.5399
153 11 0.6706 0.3455 0.5399
154 12 0.8912 0.8655 0.5501
155 12 0.8655 0.6088 0.5501
156 12 0.6088 0.6345 0.5501
X-ray density (g/cm cub.) = 3.97
MU (1/cm) = 292.034 Mass attenuation coefficient (cm**2/g) = 73.504
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.348 7
1.9348 9
2.1999 11
1.9995 12
2.769 14
1.9886 7
3.3217 10
2.0021 12
2 Cu 3.348 5
2.5533 14
1.9717 8
1.9717 8
1.9717 8
1.9717 8
3 Cu 3.348 6
1.9751 10
2.4077 11
1.9894 12
2.4077 11
1.9894 12
1.9751 10
4 Te 3.24 8
2.0294 12
2.0294 12
2.0294 12
2.0294 12
3.031 10
3.031 10
3.031 10
3.031 10
5 S 2.52 4
1.4844 7
1.4359 8
1.4791 9
1.4814 10
6 S 2.52 4
1.4719 11
1.4719 11
1.4719 11
1.4719 11
7 O 3.804 11
2.418 8
2.421 9
2.4257 10
3.3955 14
3.2608 8
3.7002 9
2.815 9
2.8897 11
2.9239 12
3.6503 7
3.6533 8
8 O 3.804 10
2.418 7
2.3374 9
2.3806 10
3.2608 7
2.78 8
2.78 8
3.6995 10
3.3444 14
3.6533 7
3.4967 9
9 O 3.804 10
2.421 7
2.3374 8
2.421 10
3.1003 11
3.4826 14
2.815 7
3.7002 7
3.5234 11
2.8977 12
3.4967 8
10 O 3.804 13
2.4257 7
2.3806 8
2.421 9
3.7972 11
3.6995 8
3.5241 10
3.5241 10
3.2927 11
3.0103 11
2.787 12
3.7754 12
3.2147 11
2.8196 12
11 O 3.804 13
3.1003 9
3.7972 10
2.9136 12
2.8897 7
3.5234 9
3.0103 10
3.2927 10
2.4424 11
3.228 12
3.2147 10
2.3838 11
2.3838 11
3.3198 12
12 O 3.804 12
2.9136 11
3.1779 14
2.9239 7
2.8977 9
2.787 10
3.228 11
2.5367 12
3.5875 12
2.5367 12
3.7754 10
2.8196 10
3.3198 11
13 K 3.768 12
3.4831 8
2.7386 9
3.2107 7
3.2107 7
3.4831 8
2.7386 9
3.2107 7
3.2107 7
3.4831 8
3.4831 8
2.7386 9
2.7386 9
14 Cl 4.344 16
3.3955 7
3.4826 9
3.1779 12
3.3955 7
3.3955 7
3.3955 7
3.4826 9
3.4826 9
3.4826 9
3.1779 12
3.1779 12
3.1779 12
3.3444 8
3.3444 8
3.3444 8
3.3444 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 2 4.291 8.581 0.049 354.31 2 396.0 2803.1
2 1 0 2 6.219 12.437 0.07 167.47 8 142.2 683.8
3 1 1 0 6.361 12.721 0.072 159.99 4 246.5 980.9
4 1 1 2 7.682 15.365 0.087 108.96 8 63.9 89.9
5 0 0 4 8.606 17.211 0.097 86.39 2 113.2 55.9
6 2 0 0 9.014 18.028 0.102 78.55 4 48.1 18.3
7 1 0 4 9.724 19.448 0.11 67.19 8 278.4 1050.7
8 2 0 2 9.998 19.997 0.113 63.43 8 36.3 16.8
9 2 1 1 10.318 20.636 0.116 59.43 16 57.1 78.2
10 1 1 4 10.73 21.46 0.121 54.79 8 50.0 27.6
11 2 1 2 10.98 21.961 0.124 52.23 16 131.2 362.8
12 2 1 3 12.007 24.014 0.135 43.33 16 25.6 11.5
13 2 0 4 12.512 25.025 0.141 39.74 8 369.3 1094.1
14 2 2 0 12.801 25.602 0.144 37.88 4 469.2 841.6
15 0 0 6 12.971 25.941 0.146 36.84 2 470.3 411.2
16 2 1 4 13.319 26.638 0.15 34.83 16 23.8 7.9
17 2 2 2 13.524 27.049 0.152 33.72 8 152.2 157.7
18 1 0 6 13.753 27.505 0.154 32.55 8 159.0 166.1
19 3 0 2 14.278 28.556 0.16 30.05 8 304.0 560.5
20 3 1 0 14.343 28.685 0.161 29.76 8 129.2 100.3
21 1 1 6 14.495 28.991 0.162 29.1 8 183.9 198.5
22 3 1 1 14.509 29.018 0.163 29.04 16 161.9 307.4
23 2 1 5 14.848 29.696 0.166 27.64 16 97.9 106.9
24 3 1 2 14.997 29.994 0.168 27.06 16 12.8 1.8
25 2 2 4 15.507 31.015 0.174 25.18 8 666.1 2254.9
26 3 1 3 15.781 31.561 0.177 24.25 16 131.7 169.8
27 2 0 6 15.886 31.772 0.178 23.91 8 93.8 42.5
28 3 0 4 16.177 32.354 0.181 22.99 8 19.9 1.8
29 2 1 6 16.542 33.083 0.185 21.9 16 69.4 42.6
30 3 2 1 16.554 33.107 0.185 21.87 16 45.2 18.0
31 3 1 4 16.822 33.645 0.188 21.12 16 60.4 31.1
32 3 2 2 16.989 33.978 0.19 20.67 16 298.9 745.4
33 0 0 8 17.414 34.827 0.194 19.59 2 317.4 99.6
34 3 2 3 17.693 35.387 0.197 18.92 16 37.3 10.6
35 1 0 8 18.02 36.04 0.201 18.17 8 3.9 0.1
36 3 1 5 18.084 36.167 0.201 18.03 16 96.1 67.3
37 4 0 0 18.261 36.522 0.203 17.65 4 750.1 1002.4
38 2 1 7 18.364 36.727 0.205 17.44 16 25.8 4.7
39 2 2 6 18.384 36.769 0.205 17.39 8 746.1 1953.9
40 1 1 8 18.609 37.219 0.207 16.93 8 88.4 26.7
41 3 2 4 18.641 37.282 0.207 16.87 16 73.0 36.3
42 4 0 2 18.793 37.586 0.209 16.57 8 220.5 162.7
43 3 0 6 18.964 37.928 0.211 16.24 8 199.5 130.5
44 4 1 1 18.975 37.949 0.211 16.22 16 19.6 2.5
45 4 1 2 19.362 38.725 0.215 15.51 16 117.7 86.8
46 3 3 0 19.412 38.823 0.216 15.43 4 142.3 31.5
47 3 1 6 19.529 39.058 0.217 15.22 16 351.7 760.1
48 2 0 8 19.743 39.486 0.219 14.86 8 68.8 14.2
49 3 2 5 19.802 39.603 0.22 14.76 16 99.6 59.1
50 3 3 2 19.918 39.835 0.221 14.57 8 146.7 63.2
51 4 1 3 19.995 39.989 0.222 14.44 16 147.9 127.5
52 2 1 8 20.289 40.579 0.225 13.98 16 216.3 264.1
53 4 0 4 20.319 40.637 0.225 13.94 8 101.4 28.9
54 4 2 0 20.508 41.015 0.227 13.65 8 213.0 125.0
55 4 2 1 20.629 41.259 0.229 13.47 16 61.8 20.7
56 4 1 4 20.853 41.705 0.231 13.15 16 73.9 29.0
57 4 2 2 20.992 41.983 0.233 12.96 16 135.6 96.2
58 3 1 7 21.129 42.258 0.234 12.77 16 21.5 2.4
59 3 2 6 21.147 42.295 0.234 12.75 16 168.8 146.7
60 3 3 4 21.376 42.752 0.237 12.44 8 185.9 86.8
61 4 2 3 21.584 43.168 0.239 12.17 16 131.8 85.4
62 2 2 8 21.861 43.723 0.242 11.83 8 172.3 70.9
63 4 1 5 21.915 43.831 0.242 11.76 16 6.7 0.2
64 0 0 10 21.968 43.936 0.243 11.7 2 407.3 98.0
65 2 1 9 22.304 44.608 0.246 11.31 16 22.1 2.2
66 3 0 8 22.366 44.731 0.247 11.24 8 16.4 0.6
67 4 2 4 22.392 44.785 0.247 11.21 16 75.2 25.6
68 1 0 10 22.47 44.94 0.248 11.12 8 105.4 24.9
69 3 2 7 22.653 45.307 0.25 10.92 16 139.4 85.7
70 4 0 6 22.671 45.342 0.25 10.9 8 198.2 86.4
71 3 1 8 22.861 45.722 0.252 10.7 16 2.1 0.0
72 1 1 10 22.964 45.927 0.253 10.59 8 350.8 263.0
73 4 1 6 23.161 46.322 0.255 10.38 16 196.8 162.4
74 4 3 1 23.17 46.34 0.255 10.37 16 84.6 30.0
75 4 2 5 23.399 46.798 0.258 10.15 16 3.9 0.1
76 4 3 2 23.501 47.002 0.259 10.05 16 128.8 67.3
77 5 0 2 23.501 47.002 0.259 10.05 8 0.8 0.0
78 5 1 0 23.543 47.086 0.259 10.01 8 330.0 219.9
79 3 3 6 23.643 47.287 0.26 9.91 8 155.9 48.6
80 5 1 1 23.652 47.305 0.26 9.9 16 44.2 7.8
81 2 0 10 23.927 47.854 0.263 9.65 8 187.9 68.8
82 5 1 2 23.978 47.956 0.264 9.6 16 122.2 57.8
83 4 3 3 24.044 48.088 0.264 9.54 16 66.8 17.2
84 3 2 8 24.299 48.599 0.267 9.31 16 250.5 235.9
85 2 1 10 24.398 48.795 0.268 9.23 16 54.8 11.2
86 5 1 3 24.513 49.027 0.269 9.13 16 87.1 28.0
87 4 1 7 24.57 49.14 0.27 9.08 16 154.7 87.7
88 4 2 6 24.586 49.173 0.27 9.07 16 10.7 0.4
89 3 1 9 24.708 49.416 0.271 8.97 16 74.5 20.1
90 4 3 4 24.79 49.58 0.272 8.9 16 164.0 96.6
91 5 0 4 24.79 49.58 0.272 8.9 8 176.1 55.7
92 5 2 1 25.056 50.113 0.275 8.69 16 17.1 1.0
93 5 1 4 25.249 50.497 0.277 8.54 16 15.3 0.8
94 5 2 2 25.368 50.737 0.278 8.44 16 12.5 0.5
95 4 0 8 25.677 51.354 0.281 8.21 8 585.4 568.1
96 4 3 5 25.725 51.45 0.282 8.18 16 61.5 12.5
97 2 2 10 25.771 51.542 0.282 8.15 8 51.4 4.3
98 5 2 3 25.882 51.765 0.283 8.07 16 0.7 0.0
99 4 2 7 25.937 51.874 0.284 8.03 16 2.3 0.0
100 3 2 9 26.07 52.139 0.285 7.94 16 38.5 4.8
101 4 1 8 26.124 52.249 0.286 7.9 16 106.0 35.8
102 5 1 5 26.172 52.343 0.286 7.87 16 39.4 4.9
103 3 0 10 26.217 52.435 0.287 7.83 8 21.1 0.7
104 4 4 0 26.304 52.608 0.288 7.78 4 856.6 575.7
105 2 1 11 26.566 53.132 0.29 7.6 16 94.6 27.4
106 3 3 8 26.566 53.133 0.29 7.6 8 135.6 28.2
107 5 2 4 26.59 53.18 0.291 7.59 16 34.1 3.6
108 3 1 10 26.658 53.317 0.291 7.54 16 168.2 86.2
109 0 0 12 26.673 53.347 0.291 7.53 2 397.4 60.0
110 4 4 2 26.706 53.411 0.292 7.51 8 323.5 158.7
111 4 3 6 26.836 53.671 0.293 7.43 16 128.6 49.6
112 5 0 6 26.836 53.671 0.293 7.43 8 142.8 30.6
113 1 0 12 27.109 54.218 0.296 7.26 8 161.2 38.1
114 5 3 0 27.179 54.358 0.296 7.22 8 247.7 89.4
115 5 1 6 27.27 54.539 0.297 7.16 16 147.1 62.6
116 5 3 1 27.278 54.555 0.297 7.16 16 88.3 22.5
117 4 2 8 27.436 54.871 0.299 7.06 16 76.2 16.6
118 5 2 5 27.481 54.963 0.3 7.04 16 44.8 5.7
119 1 1 12 27.54 55.08 0.3 7.0 8 17.8 0.4
120 5 3 2 27.572 55.144 0.3 6.99 16 47.2 6.3
121 4 1 9 27.811 55.622 0.303 6.85 16 71.5 14.1
122 4 4 4 27.886 55.773 0.304 6.81 8 218.3 65.5
123 3 2 10 27.952 55.905 0.304 6.77 16 50.8 7.0
124 6 0 0 28.035 56.071 0.305 6.73 4 150.1 15.3
125 5 3 3 28.058 56.115 0.305 6.71 16 7.9 0.2
126 4 3 7 28.109 56.218 0.306 6.69 16 107.5 31.2
127 2 0 12 28.389 56.778 0.309 6.54 8 108.2 15.4
128 6 0 2 28.42 56.84 0.309 6.52 8 180.4 42.9
129 5 1 7 28.53 57.06 0.31 6.46 16 113.0 33.3
130 5 2 6 28.545 57.09 0.31 6.46 16 66.5 11.5
131 6 1 1 28.553 57.105 0.31 6.45 16 137.8 49.5
132 3 1 11 28.705 57.411 0.312 6.38 16 82.5 17.5
133 5 3 4 28.728 57.457 0.312 6.36 16 70.4 12.7
134 2 1 12 28.807 57.615 0.313 6.32 16 143.8 52.8
135 6 1 2 28.838 57.676 0.313 6.31 16 95.7 23.3
136 4 2 9 29.07 58.141 0.315 6.2 16 17.1 0.7
137 4 0 10 29.208 58.416 0.317 6.13 8 697.0 601.2
138 6 1 3 29.31 58.62 0.318 6.08 16 146.0 52.4
139 4 3 8 29.533 59.066 0.32 5.98 16 53.2 6.8
140 5 0 8 29.533 59.066 0.32 5.98 8 188.9 43.1
141 6 0 4 29.555 59.11 0.32 5.97 8 39.6 1.9
142 5 3 5 29.577 59.153 0.32 5.96 16 169.0 68.7
143 4 1 10 29.619 59.238 0.321 5.94 16 30.7 2.3
144 6 2 0 29.699 59.398 0.322 5.91 8 231.0 63.6
145 5 2 7 29.77 59.54 0.322 5.87 16 40.1 3.8
146 4 4 6 29.784 59.569 0.322 5.87 8 199.4 47.1
147 6 2 1 29.792 59.584 0.323 5.86 16 62.1 9.1
148 3 2 11 29.941 59.881 0.324 5.8 16 25.0 1.5
149 5 1 8 29.941 59.882 0.324 5.8 16 15.9 0.6
150 6 1 4 29.963 59.926 0.324 5.79 16 30.8 2.2
151 3 3 10 30.026 60.053 0.325 5.76 8 180.7 38.0
152 2 2 12 30.04 60.08 0.325 5.76 8 398.4 184.4
153 6 2 2 30.07 60.14 0.325 5.74 16 103.3 24.7
154 5 4 1 30.198 60.396 0.326 5.69 16 177.4 72.3
155 3 0 12 30.444 60.888 0.329 5.59 8 74.7 6.3
156 5 4 2 30.474 60.948 0.329 5.58 16 187.7 79.3
157 6 2 3 30.53 61.061 0.33 5.55 16 13.4 0.4
158 5 3 6 30.593 61.187 0.33 5.53 16 224.9 112.8
159 6 1 5 30.79 61.58 0.332 5.45 16 23.8 1.3
160 4 2 10 30.831 61.663 0.333 5.43 16 112.7 27.9
161 3 1 12 30.845 61.69 0.333 5.43 16 65.1 9.3
162 5 4 3 30.93 61.861 0.334 5.39 16 187.9 76.9
163 4 3 9 31.097 62.195 0.335 5.33 16 55.6 6.6
164 2 1 13 31.124 62.249 0.336 5.32 16 66.2 9.4
165 5 2 8 31.146 62.293 0.336 5.31 16 211.3 95.8
166 6 2 4 31.168 62.335 0.336 5.3 16 602.1 776.3
167 6 0 6 31.39 62.78 0.338 5.22 8 60.0 3.8
168 5 1 9 31.493 62.987 0.339 5.18 16 164.6 56.7
169 4 1 11 31.541 63.083 0.34 5.17 16 78.5 12.8
170 5 4 4 31.563 63.127 0.34 5.16 16 181.0 68.2
171 0 0 14 31.582 63.164 0.34 5.15 2 35.9 0.3
172 5 3 7 31.77 63.54 0.342 5.09 16 47.0 4.5
173 6 1 6 31.784 63.568 0.342 5.08 16 21.8 1.0
174 6 3 1 31.791 63.582 0.342 5.08 16 70.1 10.1
175 1 0 14 31.975 63.95 0.344 5.01 8 139.6 19.7
176 6 2 5 31.977 63.953 0.344 5.01 16 15.9 0.5
177 3 2 12 32.03 64.061 0.344 5.0 16 88.5 15.8
178 6 3 2 32.059 64.118 0.345 4.99 16 231.0 107.4
179 4 4 8 32.325 64.651 0.347 4.9 8 347.0 119.0
180 1 1 14 32.365 64.73 0.347 4.88 8 104.8 10.8
181 5 4 5 32.367 64.733 0.347 4.88 16 66.9 8.8
182 6 3 3 32.503 65.006 0.349 4.84 16 149.5 43.7
183 5 2 9 32.665 65.331 0.35 4.79 16 25.5 1.3
184 4 2 11 32.713 65.425 0.351 4.77 16 78.4 11.9
185 4 3 10 32.794 65.588 0.352 4.75 16 74.4 10.6
186 5 0 10 32.794 65.588 0.352 4.75 8 94.2 8.5
187 6 1 7 32.937 65.873 0.353 4.7 16 82.2 12.8
188 6 2 6 32.95 65.901 0.353 4.7 16 509.3 492.1
189 3 1 13 33.077 66.155 0.354 4.66 16 34.4 2.2
190 5 3 8 33.099 66.197 0.354 4.65 16 75.7 10.8
191 6 3 4 33.119 66.239 0.355 4.65 16 54.3 5.5
192 2 0 14 33.138 66.275 0.355 4.64 8 203.5 38.8
193 5 1 10 33.179 66.358 0.355 4.63 16 292.2 159.6
194 4 0 12 33.192 66.384 0.355 4.63 8 363.5 123.4
195 5 4 6 33.334 66.669 0.357 4.59 16 88.9 14.6
196 2 1 14 33.521 67.041 0.358 4.53 16 96.4 17.0
197 4 1 12 33.575 67.149 0.359 4.52 16 223.6 91.1
198 7 0 2 33.603 67.206 0.359 4.51 8 45.8 1.9
199 5 5 0 33.636 67.273 0.36 4.5 4 202.5 18.6
200 7 1 0 33.636 67.273 0.36 4.5 8 118.7 12.8
201 7 1 1 33.723 67.447 0.36 4.47 16 237.3 101.7
202 6 0 8 33.863 67.726 0.362 4.44 8 75.0 5.0
203 6 3 5 33.903 67.806 0.362 4.43 16 20.6 0.8
204 3 3 12 33.955 67.91 0.363 4.41 8 19.7 0.3
205 5 5 2 33.983 67.967 0.363 4.4 8 80.0 5.7
206 7 1 2 33.983 67.967 0.363 4.4 16 88.1 13.8
207 6 2 7 34.083 68.165 0.364 4.38 16 29.2 1.5
208 3 2 13 34.221 68.441 0.365 4.34 16 86.8 13.2
209 6 1 8 34.242 68.483 0.365 4.33 16 245.2 105.2
210 5 2 10 34.321 68.642 0.366 4.31 16 9.2 0.1
211 6 4 0 34.395 68.789 0.367 4.29 8 225.2 44.0
212 7 1 3 34.414 68.829 0.367 4.29 16 188.8 61.7
213 5 4 7 34.46 68.921 0.367 4.28 16 70.8 8.7
214 6 4 1 34.481 68.961 0.367 4.27 16 64.2 7.1
215 5 3 9 34.572 69.145 0.368 4.25 16 169.4 49.2
216 4 3 11 34.618 69.236 0.369 4.24 16 25.1 1.1
217 7 0 4 34.639 69.278 0.369 4.23 8 19.3 0.3
218 2 2 14 34.657 69.314 0.369 4.23 8 612.5 320.2
219 4 2 12 34.71 69.42 0.37 4.22 16 40.5 2.8
220 6 4 2 34.738 69.476 0.37 4.21 16 102.1 17.7
221 6 3 6 34.849 69.699 0.371 4.18 16 86.9 12.7
222 7 2 1 34.856 69.713 0.371 4.18 16 23.5 0.9
223 5 1 11 34.993 69.986 0.372 4.15 16 107.8 19.4
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 0 0 2 4.291 8.581 10.2955 2803.1 100.0 100.0 5.6
2 1 0 2 6.219 12.437 7.11087 683.8 24.4 24.3 5.6
3 1 1 0 6.361 12.721 6.95298 980.9 35.0 34.9 5.6
4 1 1 2 7.682 15.365 5.76206 89.9 3.2 3.2 5.6
5 0 0 4 8.606 17.211 5.14775 55.9 2.0 2.0 5.6
6 1 0 4 9.724 19.448 4.56059 1050.7 37.5 37.2 5.6
7 2 1 1 10.318 20.636 4.30048 78.2 2.8 2.8 5.6
8 2 1 2 10.98 21.961 4.04401 362.8 12.9 12.8 5.6
9 2 0 4 12.512 25.025 3.55543 1094.1 39.0 38.6 5.6
10 2 2 0 12.801 25.602 3.47649 841.6 30.0 29.7 5.6
11 0 0 6 12.971 25.941 3.43183 411.2 14.7 14.5 5.6
12 2 2 2 13.524 27.049 3.29378 157.7 5.6 5.6 5.6
13 1 0 6 13.753 27.505 3.24016 166.1 5.9 5.9 5.6
14 3 0 2 14.278 28.556 3.12321 560.5 20.0 19.7 5.6
15 3 1 0 14.343 28.685 3.10947 100.3 3.6 3.5 5.6
16 3 1 1 14.509 29.018 3.07461 506.0 18.1 17.8 5.6
17 2 1 5 14.848 29.696 3.00588 106.9 3.8 3.8 5.6
18 2 2 4 15.507 31.015 2.88103 2254.9 80.4 79.2 5.6
19 3 1 3 15.781 31.561 2.83237 169.8 6.1 6.0 5.6
20 2 0 6 15.886 31.772 2.81408 42.5 1.5 1.5 5.6
21 2 1 6 16.542 33.083 2.70547 60.6 2.2 2.1 5.6
22 3 1 4 16.822 33.645 2.66159 31.1 1.1 1.1 5.7
23 3 2 2 16.989 33.978 2.63626 745.4 26.6 26.1 5.7
24 0 0 8 17.414 34.827 2.57387 99.6 3.6 3.5 5.7
25 3 1 5 18.084 36.167 2.48154 67.3 2.4 2.4 5.7
26 4 0 0 18.261 36.522 2.45825 1002.4 35.8 35.0 5.7
27 2 2 6 18.384 36.769 2.44231 1958.6 69.9 68.5 5.7
28 3 2 4 18.641 37.282 2.40988 36.3 1.3 1.3 5.7
29 4 0 2 18.793 37.586 2.39104 162.7 5.8 5.7 5.7
30 3 0 6 18.964 37.928 2.37029 133.0 4.7 4.6 5.7
31 4 1 2 19.362 38.725 2.32334 86.8 3.1 3.0 5.7
32 3 3 0 19.412 38.823 2.31766 31.5 1.1 1.1 5.7
33 3 1 6 19.529 39.058 2.30429 760.1 27.1 26.5 5.7
34 3 2 5 19.802 39.603 2.2738 59.1 2.1 2.1 5.7
35 3 3 2 19.918 39.835 2.26108 63.2 2.3 2.2 5.7
36 4 1 3 19.995 39.989 2.25274 127.5 4.5 4.4 5.7
37 2 1 8 20.289 40.579 2.22134 264.1 9.4 9.2 5.7
38 4 0 4 20.319 40.637 2.21829 28.9 1.0 1.0 5.7
39 4 2 0 20.508 41.015 2.19873 125.0 4.5 4.4 5.7
40 4 1 4 20.853 41.705 2.16391 29.0 1.0 1.0 5.7
41 4 2 2 20.992 41.983 2.15024 96.2 3.4 3.3 5.7
42 3 2 6 21.147 42.295 2.13511 149.0 5.3 5.2 5.7
43 3 3 4 21.376 42.752 2.11334 86.8 3.1 3.0 5.7
44 4 2 3 21.584 43.168 2.09391 85.4 3.0 3.0 5.7
45 2 2 8 21.861 43.723 2.06863 70.9 2.5 2.5 5.7
46 0 0 10 21.968 43.936 2.0591 98.0 3.5 3.4 5.7
47 4 0 6 22.671 45.342 1.99845 172.1 6.1 6.0 5.7
48 1 1 10 22.964 45.927 1.97434 263.0 9.4 9.1 5.7
49 4 1 6 23.161 46.322 1.95841 192.4 6.9 6.7 5.7
50 4 3 2 23.501 47.002 1.93168 67.3 2.4 2.3 5.7
51 5 1 0 23.543 47.086 1.92841 219.9 7.8 7.6 5.7
52 3 3 6 23.643 47.287 1.92069 56.4 2.0 1.9 5.7
53 2 0 10 23.927 47.854 1.89926 68.8 2.5 2.4 5.7
54 5 1 2 23.978 47.956 1.89545 57.8 2.1 2.0 5.7
55 3 2 8 24.299 48.599 1.87186 235.9 8.4 8.1 5.7
56 4 1 7 24.57 49.14 1.85251 88.1 3.1 3.0 5.7
57 4 3 4 24.79 49.58 1.8371 152.3 5.4 5.3 5.7
58 4 0 8 25.677 51.354 1.77772 568.1 20.3 19.5 5.8
59 4 1 8 26.124 52.249 1.74936 35.8 1.3 1.2 5.8
60 4 4 0 26.304 52.608 1.73825 575.7 20.5 19.8 5.8
61 3 3 8 26.566 53.133 1.72231 59.2 2.1 2.0 5.8
62 3 1 10 26.658 53.317 1.7168 146.2 5.2 5.0 5.8
63 4 4 2 26.706 53.411 1.71399 158.7 5.7 5.4 5.8
64 4 3 6 26.836 53.671 1.7063 80.1 2.9 2.7 5.8
65 1 0 12 27.109 54.218 1.69037 38.1 1.4 1.3 5.8
66 5 3 0 27.179 54.358 1.68635 89.4 3.2 3.1 5.8
67 5 1 6 27.27 54.539 1.68117 85.1 3.0 2.9 5.8
68 4 4 4 27.886 55.773 1.64689 65.5 2.3 2.2 5.8
69 4 3 7 28.109 56.218 1.63488 31.2 1.1 1.1 5.8
70 6 0 2 28.42 56.84 1.61846 42.9 1.5 1.5 5.8
71 6 1 1 28.553 57.105 1.61158 94.3 3.4 3.2 5.8
72 3 1 11 28.705 57.411 1.60373 30.2 1.1 1.0 5.8
73 2 1 12 28.807 57.615 1.59853 52.8 1.9 1.8 5.8
74 4 0 10 29.208 58.416 1.57851 601.2 21.4 20.5 5.8
75 6 1 3 29.31 58.62 1.57348 52.4 1.9 1.8 5.8
76 5 0 8 29.533 59.066 1.56267 51.8 1.8 1.8 5.8
77 5 3 5 29.577 59.153 1.56058 68.7 2.5 2.3 5.8
78 6 2 0 29.699 59.398 1.55473 63.6 2.3 2.2 5.8
79 6 2 1 29.792 59.584 1.55032 60.0 2.1 2.0 5.8
80 2 2 12 30.04 60.08 1.5387 222.4 7.9 7.6 5.8
81 5 4 1 30.198 60.396 1.5314 72.3 2.6 2.5 5.8
82 5 4 2 30.474 60.948 1.51885 79.3 2.8 2.7 5.8
83 5 3 6 30.593 61.187 1.51349 112.8 4.0 3.8 5.8
84 4 2 10 30.831 61.663 1.50294 37.2 1.3 1.3 5.8
85 5 4 3 30.93 61.861 1.49861 76.9 2.7 2.6 5.8
86 6 2 4 31.168 62.335 1.48833 872.0 31.1 29.5 5.8
87 5 1 9 31.493 62.987 1.4745 56.7 2.0 1.9 5.9
88 5 4 4 31.563 63.127 1.47157 81.1 2.9 2.7 5.9
89 6 3 2 32.059 64.118 1.45118 123.2 4.4 4.2 5.9
90 4 4 8 32.325 64.651 1.44051 119.0 4.2 4.0 5.9
91 6 3 3 32.503 65.006 1.43349 43.7 1.6 1.5 5.9
92 6 2 6 32.95 65.901 1.41618 504.9 18.0 17.0 5.9
93 2 0 14 33.138 66.275 1.40909 44.4 1.6 1.5 5.9
94 5 1 10 33.179 66.358 1.40753 283.0 10.1 9.5 5.9
95 4 1 12 33.575 67.149 1.39285 93.1 3.3 3.1 5.9
96 5 5 0 33.636 67.273 1.3906 31.4 1.1 1.1 5.9
97 7 1 1 33.723 67.447 1.38744 101.7 3.6 3.4 5.9
98 6 1 8 34.242 68.483 1.36894 118.4 4.2 4.0 5.9
99 7 1 3 34.414 68.829 1.36291 105.7 3.8 3.5 5.9
100 5 3 9 34.572 69.145 1.35745 49.2 1.8 1.6 5.9
101 2 2 14 34.657 69.314 1.35455 320.2 11.4 10.7 5.9
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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