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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KTENASITE
1, f-ktenasite
Zn(2)[Cu(5.2)Zn(2.8)][SO(4)](4)(OH)(12).12H(2)O
Monoclinic P 2(1)/c Z = 1
R =0.058 NR =1381
17 .4 .1992
Ref.Str.:
Mellini M., Merrino S. (1978)
* Z. Kristallogr., 147, 120-140
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.589 alpha = 90.0
b = 6.166 beta = 95.55
c = 23.751 gamma = 90.0
Unit cell volume (cub. angs.) = 814.66
Molar volume ( cub.cm/mol.) = 490.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Zn = 1.00
2 0.9894 0.0995 0.249 0.0 Cu = 1.00
3 0.499 0.8492 0.247 0.0 Cu = 1.00
4 0.36 0.0571 0.3738 0.0 S = 1.00
5 0.3328 0.0946 0.3128 0.0 O = 1.00
6 0.6073 0.1049 0.2096 0.0 O = 1.00
7 0.8396 0.3556 0.2896 0.0 O = 1.00
8 0.1635 0.344 0.2149 0.0 O = 1.00
9 0.1264 0.9929 0.3927 0.0 O = 1.00
10 0.4409 0.2594 0.4018 0.0 O = 1.00
11 0.5385 0.8839 0.3859 0.0 O = 1.00
12 0.9163 0.0626 0.0827 0.0 O = 1.00
13 0.3281 0.1617 0.0189 0.0 O = 1.00
14 0.1436 0.711 0.029 0.0 O = 1.00
15 0.593 0.083 0.175 0.0 H = 1.00
16 0.856 0.35 0.328 0.0 H = 1.00
17 0.154 0.344 0.184 0.0 H = 1.00
18 0.989 0.031 0.103 0.0 H = 1.00
19 0.782 0.017 0.077 0.0 H = 1.00
20 0.363 0.078 0.016 0.0 H = 1.00
21 0.362 0.25 0.046 0.0 H = 1.00
22 0.202 0.761 0.056 0.0 H = 1.00
23 0.042 0.667 0.056 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.9894 0.0995 0.249
3 3 0.499 0.8492 0.247
4 4 0.36 0.0571 0.3738
5 5 0.3328 0.0946 0.3128
6 6 0.6073 0.1049 0.2096
7 7 0.8396 0.3556 0.2896
8 8 0.1635 0.344 0.2149
9 9 0.1264 0.9929 0.3927
10 10 0.4409 0.2594 0.4018
11 11 0.5385 0.8839 0.3859
12 12 0.9163 0.0626 0.0827
13 13 0.3281 0.1617 0.0189
14 14 0.1436 0.711 0.029
15 15 0.593 0.083 0.175
16 16 0.856 0.35 0.328
17 17 0.154 0.344 0.184
18 18 0.989 0.031 0.103
19 19 0.782 0.017 0.077
20 20 0.363 0.078 0.016
21 21 0.362 0.25 0.046
22 22 0.202 0.761 0.056
23 23 0.042 0.667 0.056
24 1 0.0 0.5 0.5
25 2 0.0106 0.5995 0.251
26 3 0.501 0.3492 0.253
27 4 0.64 0.5571 0.1262
28 5 0.6672 0.5946 0.1872
29 6 0.3927 0.6049 0.2904
30 7 0.1604 0.8556 0.2104
31 8 0.8365 0.844 0.2851
32 9 0.8736 0.4929 0.1073
33 10 0.5591 0.7594 0.0982
34 11 0.4615 0.3839 0.1141
35 12 0.0837 0.5626 0.4173
36 13 0.6719 0.6617 0.4811
37 14 0.8564 0.211 0.471
38 15 0.407 0.583 0.325
39 16 0.144 0.85 0.172
40 17 0.846 0.844 0.316
41 18 0.011 0.531 0.397
42 19 0.218 0.517 0.423
43 20 0.637 0.578 0.484
44 21 0.638 0.75 0.454
45 22 0.798 0.261 0.444
46 23 0.958 0.167 0.444
47 2 0.9894 0.4005 0.749
48 3 0.499 0.6508 0.747
49 4 0.36 0.4429 0.8738
50 5 0.3328 0.4054 0.8128
51 6 0.6073 0.3951 0.7096
52 7 0.8396 0.1444 0.7896
53 8 0.1635 0.156 0.7149
54 9 0.1264 0.5071 0.8927
55 10 0.4409 0.2406 0.9018
56 11 0.5385 0.6161 0.8859
57 12 0.9163 0.4374 0.5827
58 13 0.3281 0.3383 0.5189
59 14 0.1436 0.789 0.529
60 15 0.593 0.417 0.675
61 16 0.856 0.15 0.828
62 17 0.154 0.156 0.684
63 18 0.989 0.469 0.603
64 19 0.782 0.483 0.577
65 20 0.363 0.422 0.516
66 21 0.362 0.25 0.546
67 22 0.202 0.739 0.556
68 23 0.042 0.833 0.556
69 2 0.0106 0.9005 0.751
70 3 0.501 0.1508 0.753
71 4 0.64 0.9429 0.6262
72 5 0.6672 0.9054 0.6872
73 6 0.3927 0.8951 0.7904
74 7 0.1604 0.6444 0.7104
75 8 0.8365 0.656 0.7851
76 9 0.8736 0.0071 0.6073
77 10 0.5591 0.7406 0.5982
78 11 0.4615 0.1161 0.6141
79 12 0.0837 0.9374 0.9173
80 13 0.6719 0.8383 0.9811
81 14 0.8564 0.289 0.971
82 15 0.407 0.917 0.825
83 16 0.144 0.65 0.672
84 17 0.846 0.656 0.816
85 18 0.011 0.969 0.897
86 19 0.218 0.983 0.923
87 20 0.637 0.922 0.984
88 21 0.638 0.75 0.954
89 22 0.798 0.239 0.944
90 23 0.958 0.333 0.944
X-ray density (g/cm cub.) = 2.94
MU (1/cm) = 109.175 Mass attenuation coefficient (cm**2/g) = 37.114
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn 2.628 6
2.0985 12
2.0974 13
2.0462 14
2.0985 12
2.0974 13
2.0462 14
2 Cu 2.808 6
2.3277 5
2.2474 6
2.069 7
2.007 8
2.0457 7
2.0221 8
3 Cu 2.808 6
2.424 5
1.9353 6
2.3714 5
1.9501 6
2.0051 7
2.0119 8
4 S 1.98 4
1.4605 5
1.4752 9
1.4644 10
1.4707 11
5 O 3.264 10
3.0155 6
3.1934 7
2.8708 8
2.3976 9
2.3704 10
2.3744 11
3.214 6
3.0898 6
2.9261 7
3.1877 8
6 O 3.264 8
3.0155 5
2.6848 7
2.8986 8
3.0898 5
3.214 5
2.9345 7
2.6458 8
2.9001 11
7 O 3.264 7
3.1934 5
2.6848 6
2.6554 8
2.9261 5
2.9345 6
3.0134 8
3.1563 8
8 O 3.264 9
2.8708 5
2.8986 6
2.6554 7
3.1877 5
2.6458 6
3.1563 7
3.0134 7
3.0329 9
3.0557 11
9 O 3.264 6
2.3976 5
2.4006 10
2.4196 11
3.0329 8
2.7322 12
2.8438 14
10 O 3.264 6
2.3704 5
2.4006 9
2.4168 11
2.7854 12
2.7285 14
2.951 13
11 O 3.264 7
2.3744 5
2.4196 9
2.4168 10
2.9001 6
3.0557 8
2.6869 13
3.2581 14
12 O 3.264 6
2.9396 13
2.873 14
2.7322 9
2.7854 10
2.994 13
2.9879 14
13 O 3.264 7
2.9396 12
2.9819 14
2.6869 11
2.951 10
2.994 12
2.9679 13
2.8776 14
14 O 3.264 7
2.873 12
2.9819 13
2.8438 9
2.7285 10
3.2581 11
2.9879 12
2.8776 13
15 H 1.632 1
0.829 6
16 H 1.632 1
0.9084 7
17 H 1.632 1
0.7307 8
18 H 1.632 1
0.6306 12
19 H 1.632 1
0.8007 12
20 H 1.632 1
0.5583 13
21 H 1.632 1
0.8503 13
22 H 1.632 1
0.7565 14
23 H 1.632 1
0.9369 14
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 3.737 7.473 0.042 467.94 2 157.6 3500.9
2 0 1 1 7.418 14.836 0.084 117.04 4 16.3 18.8
3 0 0 4 7.489 14.978 0.085 114.78 2 206.1 1468.6
4 1 0 0 7.959 15.919 0.09 101.36 2 8.3 2.1
5 0 1 2 8.1 16.2 0.091 97.8 4 28.2 46.7
6 1 0 -2 8.466 16.932 0.096 89.33 2 2.8 0.2
7 0 1 3 9.127 18.254 0.103 76.56 4 121.7 683.7
8 1 0 2 9.128 18.256 0.103 76.54 2 129.8 388.8
9 0 1 4 10.401 20.802 0.117 58.45 4 6.3 1.4
10 1 0 -4 10.413 20.827 0.117 58.31 2 109.7 211.5
11 1 1 0 10.748 21.496 0.121 54.6 4 21.4 15.1
12 1 1 -1 10.778 21.555 0.121 54.29 4 110.2 397.1
13 1 1 1 11.047 22.093 0.124 51.58 4 50.3 78.7
14 1 1 -2 11.133 22.266 0.125 50.75 4 13.0 5.2
15 0 0 6 11.274 22.548 0.127 49.43 2 180.2 483.5
16 1 0 4 11.486 22.972 0.129 47.55 2 100.6 145.1
17 1 1 2 11.649 23.299 0.131 46.17 4 21.1 12.4
18 1 1 -3 11.785 23.571 0.133 45.06 4 49.6 66.7
19 0 1 5 11.847 23.694 0.133 44.57 4 123.1 406.7
20 1 1 3 12.515 25.029 0.141 39.73 4 17.4 7.2
21 1 1 -4 12.693 25.385 0.143 38.56 4 20.7 10.0
22 1 0 -6 13.202 26.404 0.148 35.49 2 130.2 181.3
23 0 1 6 13.415 26.831 0.151 34.31 4 6.9 1.0
24 1 1 4 13.596 27.192 0.153 33.35 4 29.0 16.9
25 1 1 -5 13.808 27.615 0.155 32.27 4 58.2 66.0
26 0 2 0 14.468 28.937 0.162 29.22 2 72.2 45.9
27 1 0 6 14.493 28.986 0.162 29.11 2 77.3 52.4
28 0 2 1 14.594 29.187 0.164 28.68 4 15.7 4.3
29 1 1 5 14.85 29.701 0.166 27.63 4 41.8 29.1
30 0 2 2 14.964 29.927 0.168 27.19 4 23.3 8.9
31 0 1 7 15.074 30.147 0.169 26.76 4 29.0 13.6
32 1 1 -6 15.089 30.178 0.169 26.71 4 43.5 30.5
33 0 0 8 15.11 30.22 0.169 26.63 2 271.4 590.9
34 0 2 3 15.563 31.125 0.174 24.99 4 41.7 26.2
35 2 0 0 16.078 32.155 0.18 23.3 2 229.5 369.7
36 2 0 -2 16.159 32.318 0.181 23.04 2 60.4 25.3
37 1 1 6 16.243 32.486 0.182 22.79 4 15.1 3.1
38 0 2 4 16.368 32.735 0.183 22.41 4 37.4 18.9
39 1 0 -8 16.445 32.89 0.184 22.18 2 40.1 10.7
40 1 1 -7 16.503 33.006 0.184 22.01 4 59.2 46.5
41 1 2 0 16.598 33.196 0.185 21.74 4 108.7 154.8
42 1 2 -1 16.618 33.235 0.186 21.69 4 154.8 313.2
43 1 2 1 16.799 33.599 0.188 21.18 4 114.8 168.4
44 0 1 8 16.802 33.604 0.188 21.17 4 7.5 0.7
45 1 2 -2 16.858 33.716 0.188 21.02 4 56.7 40.7
46 2 0 2 16.892 33.785 0.189 20.93 2 185.1 216.1
47 2 0 -4 17.125 34.249 0.191 20.32 2 80.1 39.3
48 1 2 2 17.215 34.43 0.192 20.08 4 80.2 77.9
49 1 2 -3 17.31 34.621 0.193 19.84 4 220.8 582.9
50 0 2 5 17.354 34.708 0.194 19.73 4 2.4 0.1
51 2 1 -1 17.619 35.238 0.196 19.09 4 21.4 5.3
52 2 1 0 17.687 35.373 0.197 18.93 4 92.8 98.2
53 1 1 7 17.747 35.494 0.198 18.79 4 67.8 52.1
54 2 1 -2 17.761 35.523 0.198 18.76 4 57.7 37.7
55 1 2 3 17.832 35.663 0.199 18.6 4 21.0 4.9
56 1 0 8 17.865 35.729 0.199 18.52 2 43.8 10.7
57 1 2 -4 17.961 35.923 0.2 18.3 4 71.2 55.9
58 2 1 1 17.963 35.925 0.2 18.3 4 77.5 66.2
59 1 1 -8 18.025 36.05 0.201 18.16 4 70.2 53.9
60 2 1 -3 18.11 36.22 0.202 17.98 4 0.1 0.0
61 2 1 2 18.439 36.877 0.205 17.28 4 41.3 17.7
62 0 2 6 18.497 36.993 0.206 17.16 4 25.7 6.8
63 2 0 4 18.498 36.997 0.206 17.16 2 267.5 370.0
64 0 1 9 18.588 37.176 0.207 16.98 4 19.8 4.0
65 1 2 4 18.632 37.265 0.207 16.89 4 83.5 71.0
66 2 1 -4 18.654 37.308 0.208 16.84 4 18.6 3.5
67 1 2 -5 18.793 37.585 0.209 16.57 4 200.8 402.7
68 2 0 -6 18.855 37.711 0.21 16.45 2 132.8 87.5
69 0 0 10 19.017 38.033 0.212 16.14 2 11.5 0.6
70 2 1 3 19.102 38.204 0.212 15.98 4 47.0 21.3
71 1 1 8 19.343 38.687 0.215 15.55 4 27.5 7.1
72 2 1 -5 19.38 38.761 0.215 15.48 4 56.0 29.2
73 1 2 5 19.598 39.196 0.218 15.1 4 160.4 234.3
74 1 1 -9 19.636 39.272 0.218 15.04 4 66.7 40.3
75 0 2 7 19.773 39.547 0.22 14.81 4 39.9 14.2
76 1 2 -6 19.786 39.571 0.22 14.79 4 69.0 42.4
77 2 1 4 19.937 39.874 0.221 14.54 4 0.5 0.0
78 1 0 -10 19.968 39.936 0.222 14.49 2 61.4 16.5
79 2 1 -6 20.272 40.545 0.225 14.01 4 7.1 0.4
80 0 1 10 20.424 40.848 0.227 13.78 4 0.9 0.0
81 1 2 6 20.71 41.419 0.23 13.36 4 49.4 19.6
82 2 0 6 20.739 41.477 0.23 13.31 2 234.0 219.7
83 1 2 -7 20.922 41.843 0.232 13.06 4 256.6 518.1
84 2 1 5 20.927 41.853 0.232 13.05 4 55.2 23.9
85 1 1 9 21.018 42.035 0.233 12.92 4 18.2 2.6
86 0 2 8 21.166 42.332 0.234 12.72 4 68.2 35.6
87 2 0 -8 21.192 42.385 0.235 12.68 2 216.2 178.7
88 2 1 -7 21.313 42.627 0.236 12.52 4 15.0 1.7
89 1 1 -10 21.323 42.646 0.236 12.51 4 37.5 10.6
90 1 0 10 21.479 42.958 0.238 12.31 2 15.2 0.9
91 2 2 -1 21.843 43.687 0.242 11.85 4 11.4 0.9
92 2 2 0 21.9 43.8 0.242 11.78 4 43.4 13.4
93 1 2 7 21.951 43.901 0.243 11.72 4 146.8 152.3
94 2 2 -2 21.962 43.925 0.243 11.71 4 30.6 6.6
95 2 1 6 22.055 44.11 0.244 11.6 4 10.4 0.8
96 0 3 1 22.098 44.195 0.244 11.55 4 20.7 3.0
97 2 2 1 22.131 44.263 0.245 11.51 4 9.9 0.7
98 1 2 -8 22.184 44.368 0.245 11.45 4 93.5 60.3
99 2 2 -3 22.255 44.51 0.246 11.36 4 8.1 0.4
100 0 1 11 22.307 44.614 0.246 11.3 4 55.7 21.2
101 0 3 2 22.358 44.716 0.247 11.25 4 17.8 2.1
102 2 1 -8 22.487 44.974 0.248 11.1 4 36.2 8.8
103 2 2 2 22.533 45.067 0.249 11.05 4 62.0 25.6
104 0 2 9 22.66 45.32 0.25 10.91 4 22.5 3.3
105 2 2 -4 22.716 45.432 0.251 10.85 4 25.4 4.2
106 1 1 10 22.761 45.522 0.251 10.8 4 2.7 0.0
107 0 3 3 22.787 45.574 0.251 10.77 4 59.7 23.1
108 0 0 12 23.017 46.035 0.254 10.53 2 124.6 49.2
109 1 1 -11 23.078 46.156 0.254 10.47 4 90.0 51.1
110 2 2 3 23.099 46.197 0.255 10.45 4 62.2 24.3
111 1 2 8 23.306 46.612 0.257 10.24 4 90.8 50.9
112 2 1 7 23.307 46.614 0.257 10.24 4 18.1 2.0
113 2 2 -5 23.338 46.676 0.257 10.21 4 41.4 10.6
114 0 3 4 23.378 46.755 0.258 10.17 4 50.9 15.9
115 2 0 8 23.469 46.939 0.259 10.08 2 245.7 183.3
116 1 3 0 23.549 47.098 0.259 10.0 4 22.4 3.0
117 1 2 -9 23.558 47.116 0.259 9.99 4 203.4 249.0
118 1 3 -1 23.564 47.128 0.259 9.99 4 82.9 41.4
119 1 3 1 23.7 47.4 0.261 9.86 4 37.7 8.5
120 1 0 -12 23.702 47.404 0.261 9.85 2 66.1 13.0
121 1 3 -2 23.744 47.488 0.261 9.82 4 2.7 0.0
122 2 1 -9 23.78 47.56 0.262 9.78 4 7.6 0.3
123 2 2 4 23.819 47.637 0.262 9.75 4 98.6 57.1
124 2 0 -10 23.998 47.997 0.264 9.58 2 63.5 11.7
125 1 3 2 24.014 48.029 0.264 9.57 4 23.3 3.1
126 1 3 -3 24.087 48.174 0.265 9.5 4 65.8 24.8
127 2 2 -6 24.11 48.221 0.265 9.48 4 28.3 4.6
128 0 3 5 24.12 48.24 0.265 9.47 4 37.3 7.9
129 0 1 12 24.235 48.47 0.266 9.37 4 5.1 0.1
130 0 2 10 24.243 48.486 0.267 9.36 4 51.4 14.9
131 3 0 -2 24.47 48.94 0.269 9.17 2 1.0 0.0
132 1 3 3 24.487 48.974 0.269 9.15 4 36.9 7.5
133 3 0 0 24.545 49.09 0.27 9.1 2 30.3 2.5
134 1 1 11 24.567 49.133 0.27 9.08 4 4.6 0.1
135 1 3 -4 24.587 49.175 0.27 9.07 4 28.2 4.3
136 2 1 8 24.67 49.34 0.271 9.0 4 17.0 1.6
137 2 2 5 24.683 49.366 0.271 8.99 4 5.5 0.2
138 1 2 9 24.763 49.527 0.272 8.92 4 132.2 94.0
139 1 1 -12 24.894 49.789 0.273 8.81 4 24.0 3.1
140 0 3 6 25.005 50.01 0.274 8.73 4 24.5 3.2
141 2 2 -7 25.024 50.048 0.275 8.71 4 28.7 4.3
142 1 2 -10 25.033 50.065 0.275 8.7 4 27.7 4.0
143 3 0 -4 25.035 50.071 0.275 8.7 2 14.0 0.5
144 1 3 4 25.112 50.224 0.275 8.64 4 14.9 1.2
145 2 1 -10 25.18 50.36 0.276 8.59 4 0.2 0.0
146 1 3 -5 25.239 50.477 0.277 8.54 4 53.4 14.7
147 3 0 2 25.257 50.513 0.277 8.53 2 104.5 28.1
148 1 0 12 25.293 50.585 0.277 8.5 2 79.9 16.3
149 3 1 -1 25.594 51.188 0.28 8.28 4 23.1 2.7
150 3 1 -2 25.636 51.271 0.281 8.25 4 21.2 2.2
151 2 2 6 25.682 51.364 0.281 8.21 4 64.8 20.8
152 3 1 0 25.708 51.416 0.282 8.19 4 7.4 0.3
153 3 1 -3 25.833 51.665 0.283 8.1 4 95.1 44.2
154 1 3 5 25.881 51.762 0.283 8.07 4 75.9 28.0
155 0 2 11 25.907 51.814 0.284 8.05 4 5.6 0.1
156 3 1 1 25.977 51.954 0.284 8.0 4 62.3 18.7
157 0 3 7 26.022 52.045 0.285 7.97 4 28.5 3.9
158 1 3 -6 26.032 52.065 0.285 7.96 4 33.8 5.5
159 2 2 -8 26.068 52.136 0.285 7.94 4 66.3 21.0
160 2 1 9 26.134 52.267 0.286 7.89 4 81.4 31.5
161 3 1 -4 26.183 52.365 0.286 7.86 4 64.4 19.7
162 0 1 13 26.208 52.416 0.287 7.84 4 132.4 82.8
163 3 0 -6 26.211 52.422 0.287 7.84 2 102.6 24.8
164 1 2 10 26.313 52.627 0.288 7.77 4 55.0 14.2
165 3 1 2 26.397 52.793 0.289 7.71 4 11.5 0.6
166 1 1 12 26.432 52.864 0.289 7.69 4 24.7 2.8
167 3 0 4 26.567 53.134 0.29 7.6 2 30.7 2.2
168 2 0 10 26.588 53.176 0.291 7.59 2 169.3 65.5
169 1 2 -11 26.598 53.197 0.291 7.58 4 205.0 191.9
170 2 1 -11 26.677 53.355 0.291 7.53 4 44.3 8.9
171 3 1 -5 26.681 53.362 0.291 7.53 4 2.5 0.0
172 1 1 -13 26.77 53.54 0.292 7.47 4 18.6 1.5
173 1 3 6 26.785 53.571 0.293 7.46 4 37.6 6.3
174 2 2 7 26.805 53.61 0.293 7.45 4 34.8 5.4
175 1 3 -7 26.96 53.92 0.294 7.35 4 1.1 0.0
176 3 1 3 26.963 53.925 0.294 7.35 4 54.5 13.2
177 0 0 14 27.141 54.282 0.296 7.24 2 139.1 42.2
178 0 3 8 27.162 54.325 0.296 7.23 4 37.9 6.2
179 2 0 -12 27.179 54.358 0.296 7.22 2 214.4 100.0
180 2 2 -9 27.233 54.466 0.297 7.18 4 22.5 2.2
181 3 1 -6 27.323 54.646 0.298 7.13 4 48.3 10.0
182 1 0 -14 27.629 55.257 0.301 6.95 2 100.9 21.3
183 0 2 12 27.647 55.293 0.301 6.94 4 26.3 2.9
184 3 1 4 27.669 55.338 0.301 6.93 4 23.9 2.4
185 2 1 10 27.69 55.379 0.302 6.92 4 16.8 1.2
186 2 3 -1 27.727 55.454 0.302 6.9 4 49.0 10.0
187 2 3 0 27.774 55.549 0.302 6.87 4 43.4 7.8
188 1 3 7 27.817 55.634 0.303 6.85 4 58.9 14.3
189 2 3 -2 27.827 55.654 0.303 6.84 4 27.4 3.1
190 3 0 -8 27.942 55.885 0.304 6.78 2 98.5 19.8
191 1 2 11 27.949 55.898 0.304 6.77 4 171.6 120.1
192 2 3 1 27.969 55.938 0.304 6.76 4 56.4 13.0
193 1 3 -8 28.013 56.027 0.305 6.74 4 1.1 0.0
194 2 2 8 28.044 56.087 0.305 6.72 4 1.7 0.0
195 2 3 -3 28.074 56.147 0.305 6.71 4 44.9 8.1
196 3 1 -7 28.101 56.202 0.306 6.69 4 30.4 3.7
197 0 1 14 28.228 56.455 0.307 6.62 4 0.6 0.0
198 1 2 -12 28.249 56.498 0.307 6.61 4 116.0 53.7
199 2 1 -12 28.265 56.529 0.307 6.6 4 9.2 0.3
200 2 3 2 28.309 56.617 0.308 6.58 4 57.3 13.0
201 1 1 13 28.355 56.71 0.308 6.56 4 26.1 2.7
202 0 3 9 28.416 56.832 0.309 6.52 4 9.0 0.3
203 3 0 6 28.419 56.838 0.309 6.52 2 60.4 7.2
204 2 3 -4 28.464 56.928 0.309 6.5 4 39.7 6.2
205 3 1 5 28.509 57.017 0.31 6.48 4 73.6 21.1
206 2 2 -10 28.511 57.021 0.31 6.47 4 46.7 8.5
207 1 1 -14 28.703 57.406 0.312 6.38 4 30.5 3.6
208 2 3 3 28.79 57.58 0.313 6.33 4 46.1 8.1
209 3 2 -1 28.891 57.782 0.314 6.28 4 256.3 248.8
210 3 2 -2 28.93 57.859 0.314 6.26 4 48.4 8.8
211 1 3 8 28.968 57.935 0.314 6.25 4 38.6 5.6
212 2 3 -5 28.995 57.99 0.315 6.23 4 47.7 8.6
213 3 2 0 28.997 57.993 0.315 6.23 4 131.6 65.0
214 3 1 -8 29.009 58.018 0.315 6.23 4 2.0 0.0
215 3 2 -3 29.111 58.223 0.316 6.18 4 187.4 130.8
216 1 3 -9 29.184 58.369 0.317 6.14 4 58.0 12.4
217 3 2 1 29.244 58.489 0.317 6.11 4 204.1 153.5
218 1 0 14 29.3 58.6 0.318 6.09 2 10.7 0.2
219 2 1 11 29.332 58.664 0.318 6.07 4 16.1 0.9
220 2 2 9 29.389 58.779 0.319 6.05 4 21.0 1.6
221 2 3 4 29.409 58.818 0.319 6.04 4 40.9 6.1
222 3 2 -4 29.435 58.869 0.319 6.03 4 76.2 21.1
223 0 2 13 29.458 58.916 0.319 6.01 4 23.0 1.9
224 3 1 6 29.475 58.949 0.319 6.01 4 42.1 6.4
225 3 2 2 29.633 59.266 0.321 5.94 4 1.9 0.0
226 2 3 -6 29.661 59.323 0.321 5.92 4 25.5 2.3
227 1 2 12 29.665 59.331 0.321 5.92 4 149.5 79.8
228 0 3 10 29.776 59.553 0.322 5.87 4 6.1 0.1
229 2 2 -11 29.893 59.787 0.324 5.82 4 5.2 0.1
230 3 2 -5 29.897 59.794 0.324 5.82 4 133.7 62.7
231 2 1 -13 29.937 59.873 0.324 5.8 4 53.1 9.9
232 1 2 -13 29.979 59.958 0.324 5.78 4 170.6 101.4
233 0 4 0 29.98 59.96 0.324 5.78 2 122.2 26.0
234 2 0 12 30.035 60.07 0.325 5.76 2 224.4 87.4
235 3 1 -9 30.04 60.08 0.325 5.76 4 63.0 13.8
236 0 4 1 30.05 60.1 0.325 5.75 4 162.2 91.2
237 3 2 3 30.158 60.317 0.326 5.71 4 128.6 56.9
238 2 3 5 30.16 60.32 0.326 5.71 4 6.5 0.1
239 3 0 -10 30.169 60.338 0.326 5.7 2 14.0 0.3
240 1 3 9 30.23 60.46 0.327 5.68 4 36.2 4.5
241 0 4 2 30.26 60.52 0.327 5.66 4 214.8 157.5
242 0 1 15 30.297 60.593 0.327 5.65 4 11.6 0.5
243 1 1 14 30.336 60.672 0.328 5.63 4 21.4 1.6
244 2 3 -7 30.458 60.916 0.329 5.58 4 76.3 19.6
245 1 3 -10 30.466 60.932 0.329 5.58 4 12.9 0.6
246 3 2 -6 30.494 60.988 0.329 5.57 4 3.9 0.1
247 3 1 7 30.561 61.122 0.33 5.54 4 27.8 2.6
248 0 4 3 30.608 61.217 0.331 5.52 4 91.9 28.1
249 2 0 -14 30.681 61.361 0.331 5.49 2 198.4 65.1
250 1 1 -15 30.695 61.39 0.331 5.49 4 33.7 3.8
251 3 0 8 30.753 61.505 0.332 5.46 2 6.6 0.1
252 3 2 4 30.817 61.634 0.333 5.44 4 80.5 21.3
253 2 2 10 30.836 61.673 0.333 5.43 4 17.1 1.0
254 2 3 6 31.038 62.075 0.335 5.35 4 6.1 0.1
255 2 1 12 31.057 62.113 0.335 5.35 4 9.5 0.3
256 0 4 4 31.092 62.184 0.335 5.33 4 129.9 54.3
257 3 1 -10 31.188 62.375 0.336 5.3 4 9.9 0.3
258 3 2 -7 31.222 62.443 0.336 5.28 4 165.4 87.1
259 1 4 0 31.233 62.467 0.337 5.28 4 55.3 9.7
260 0 3 11 31.237 62.474 0.337 5.28 4 55.6 9.8
261 1 4 -1 31.246 62.491 0.337 5.27 4 33.0 3.5
262 0 2 14 31.34 62.68 0.338 5.24 4 40.4 5.2
263 1 4 1 31.358 62.717 0.338 5.23 4 58.8 10.9
264 2 2 -12 31.375 62.75 0.338 5.23 4 10.2 0.3
265 2 3 -8 31.38 62.759 0.338 5.23 4 3.4 0.0
266 1 4 -2 31.395 62.79 0.338 5.22 4 22.3 1.6
267 0 0 16 31.423 62.845 0.338 5.21 2 175.9 48.6
268 1 2 13 31.46 62.919 0.339 5.2 4 199.2 124.2
269 1 3 10 31.598 63.196 0.34 5.15 4 0.1 0.0
270 3 2 5 31.604 63.208 0.34 5.14 4 146.0 66.1
271 1 4 2 31.619 63.239 0.34 5.14 4 63.7 12.6
272 1 4 -3 31.68 63.36 0.341 5.12 4 11.2 0.4
273 2 1 -14 31.69 63.38 0.341 5.11 4 74.5 17.1
274 0 4 5 31.708 63.415 0.341 5.11 4 66.8 13.7
275 1 0 -16 31.757 63.514 0.342 5.09 2 15.3 0.4
276 3 1 8 31.761 63.521 0.342 5.09 4 16.6 0.8
277 1 2 -14 31.787 63.574 0.342 5.08 4 13.9 0.6
278 1 3 -11 31.852 63.704 0.343 5.06 4 27.4 2.3
279 1 4 3 32.015 64.029 0.344 5.0 4 3.8 0.0
280 2 3 7 32.037 64.074 0.344 4.99 4 39.4 4.7
281 3 2 -8 32.075 64.15 0.345 4.98 4 92.0 25.4
282 1 4 -4 32.099 64.198 0.345 4.97 4 24.6 1.8
283 1 1 15 32.378 64.756 0.348 4.88 4 97.4 27.9
284 2 2 11 32.38 64.759 0.348 4.88 4 31.0 2.8
285 0 1 16 32.419 64.838 0.348 4.87 4 27.1 2.2
286 2 3 -9 32.421 64.842 0.348 4.87 4 48.0 6.7
287 3 1 -11 32.446 64.892 0.348 4.86 4 72.8 15.5
288 0 4 6 32.451 64.902 0.348 4.86 4 135.6 53.8
289 3 2 6 32.515 65.029 0.349 4.84 4 12.0 0.4
290 1 4 4 32.542 65.083 0.349 4.83 4 36.7 3.9
291 1 4 -5 32.649 65.298 0.35 4.79 4 8.2 0.2
292 1 1 -16 32.748 65.496 0.351 4.76 4 47.0 6.3
293 0 3 12 32.793 65.587 0.352 4.75 4 20.2 1.2
294 3 0 -12 32.837 65.674 0.352 4.73 2 32.1 1.5
295 2 1 13 32.861 65.723 0.352 4.73 4 58.8 9.9
296 2 2 -13 32.952 65.903 0.353 4.7 4 28.1 2.2
297 3 2 -9 33.05 66.1 0.354 4.67 4 163.1 74.9
298 1 3 11 33.067 66.134 0.354 4.66 4 7.8 0.2
299 3 1 9 33.069 66.138 0.354 4.66 4 28.4 2.3
300 2 3 8 33.152 66.305 0.355 4.64 4 58.4 9.5
301 1 4 5 33.197 66.394 0.355 4.63 4 33.5 3.1
302 0 2 15 33.293 66.586 0.356 4.6 4 2.7 0.0
303 0 4 7 33.318 66.637 0.357 4.59 4 126.8 44.5
304 1 4 -6 33.327 66.654 0.357 4.59 4 57.0 9.0
305 1 2 14 33.331 66.661 0.357 4.59 4 42.5 5.0
306 1 3 -12 33.339 66.677 0.357 4.58 4 12.4 0.4
307 4 0 -2 33.463 66.927 0.358 4.55 2 143.9 28.4
308 3 0 10 33.518 67.036 0.358 4.53 2 16.5 0.4
309 1 0 16 33.519 67.038 0.358 4.53 2 22.1 0.7
310 2 1 -15 33.523 67.047 0.358 4.53 4 36.0 3.5
311 3 2 7 33.544 67.088 0.359 4.52 4 137.4 51.5
312 2 3 -10 33.577 67.153 0.359 4.52 4 4.3 0.1
313 4 0 0 33.634 67.267 0.36 4.5 2 87.9 10.5
314 1 2 -15 33.672 67.343 0.36 4.49 4 119.8 38.9
315 2 0 14 33.786 67.571 0.361 4.46 2 76.6 7.9
316 3 1 -12 33.811 67.622 0.361 4.45 4 9.8 0.3
317 4 0 -4 33.821 67.642 0.361 4.45 2 217.5 63.4
318 3 3 -1 33.924 67.847 0.362 4.42 4 31.4 2.6
319 3 3 -2 33.959 67.917 0.363 4.41 4 68.1 12.3
320 1 4 6 33.977 67.954 0.363 4.4 4 30.1 2.4
321 2 2 12 34.016 68.032 0.363 4.39 4 54.0 7.7
322 3 3 0 34.02 68.04 0.363 4.39 4 28.1 2.1
323 3 3 -3 34.125 68.25 0.364 4.37 4 30.9 2.5
324 1 4 -7 34.129 68.258 0.364 4.36 4 29.2 2.3
325 3 2 -10 34.141 68.282 0.364 4.36 4 28.0 2.1
326 3 3 1 34.247 68.494 0.365 4.33 4 12.5 0.4
327 0 4 8 34.305 68.61 0.366 4.32 4 65.7 11.2
328 4 0 2 34.328 68.655 0.366 4.31 2 72.1 6.8
329 2 3 9 34.38 68.76 0.367 4.3 4 14.0 0.5
330 3 3 -4 34.421 68.842 0.367 4.29 4 12.8 0.4
331 4 1 -2 34.429 68.857 0.367 4.29 4 0.1 0.0
332 0 3 13 34.443 68.886 0.367 4.28 4 27.9 2.0
333 4 1 -1 34.447 68.895 0.367 4.28 4 62.1 9.9
334 3 1 10 34.482 68.964 0.367 4.27 4 41.8 4.5
335 1 1 16 34.483 68.967 0.368 4.27 4 12.1 0.4
336 2 0 -16 34.485 68.97 0.368 4.27 2 198.3 50.6
337 4 1 -3 34.54 69.08 0.368 4.26 4 25.8 1.7
338 4 1 0 34.596 69.193 0.369 4.24 4 4.7 0.1
339 0 1 17 34.6 69.2 0.369 4.24 4 8.2 0.2
340 3 3 2 34.603 69.207 0.369 4.24 4 28.2 2.0
341 2 2 -14 34.621 69.241 0.369 4.24 4 0.2 0.0
342 1 3 12 34.633 69.267 0.369 4.23 4 51.6 6.8
343 3 2 8 34.688 69.376 0.369 4.22 4 87.7 19.6
344 4 0 -6 34.699 69.398 0.37 4.22 2 127.6 20.7
345 2 1 14 34.746 69.493 0.37 4.21 4 2.5 0.0
346 4 1 -4 34.782 69.563 0.37 4.2 4 11.3 0.3
347 2 4 -1 34.8 69.599 0.37 4.19 4 57.6 8.4
348 2 4 0 34.841 69.683 0.371 4.18 4 77.5 15.1
349 2 3 -11 34.843 69.686 0.371 4.18 4 60.8 9.3
350 3 3 -5 34.846 69.693 0.371 4.18 4 24.9 1.6
351 1 1 -17 34.865 69.731 0.371 4.18 4 68.4 11.8
352 4 1 1 34.875 69.75 0.371 4.17 4 49.8 6.2
353 1 4 7 34.879 69.758 0.371 4.17 4 25.8 1.7
354 2 4 -2 34.888 69.775 0.371 4.17 4 136.5 46.8
355 1 3 -13 34.922 69.844 0.372 4.16 4 44.8 5.0
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 3.737 7.473 11.81983 3500.9 100.0 100.0 5.5
2 0 0 4 7.489 14.978 5.90991 1468.6 41.9 41.8 5.6
3 0 1 2 8.1 16.2 5.46685 46.7 1.3 1.3 5.6
4 0 1 3 9.127 18.254 4.85601 1072.4 30.6 30.4 5.6
5 1 0 -4 10.413 20.827 4.26157 212.9 6.1 6.0 5.6
6 1 1 -1 10.778 21.555 4.11915 397.1 11.3 11.2 5.6
7 1 1 1 11.047 22.093 4.02004 78.7 2.2 2.2 5.6
8 0 0 6 11.274 22.548 3.93994 483.5 13.8 13.7 5.6
9 1 0 4 11.486 22.972 3.86824 145.1 4.1 4.1 5.6
10 1 1 -3 11.785 23.571 3.7713 66.7 1.9 1.9 5.6
11 0 1 5 11.847 23.694 3.75192 406.7 11.6 11.5 5.6
12 1 0 -6 13.202 26.404 3.37272 181.3 5.2 5.1 5.6
13 1 1 -5 13.808 27.615 3.2275 66.0 1.9 1.9 5.6
14 1 0 6 14.493 28.986 3.07785 98.4 2.8 2.8 5.6
15 0 0 8 15.11 30.22 2.95496 635.0 18.1 17.9 5.6
16 2 0 0 16.078 32.155 2.7814 369.7 10.6 10.4 5.6
17 1 1 -7 16.503 33.006 2.71159 46.5 1.3 1.3 5.6
18 1 2 -1 16.618 33.235 2.69344 468.0 13.4 13.1 5.6
19 1 2 1 16.799 33.599 2.66515 169.1 4.8 4.7 5.7
20 1 2 -2 16.858 33.716 2.65615 40.7 1.2 1.1 5.7
21 2 0 2 16.892 33.785 2.65089 216.1 6.2 6.1 5.7
22 2 0 -4 17.125 34.249 2.61599 39.3 1.1 1.1 5.7
23 1 2 2 17.215 34.43 2.60268 77.9 2.2 2.2 5.7
24 1 2 -3 17.31 34.621 2.58875 582.9 16.7 16.3 5.7
25 2 1 0 17.687 35.373 2.53539 98.2 2.8 2.7 5.7
26 1 1 7 17.747 35.494 2.52702 89.8 2.6 2.5 5.7
27 2 1 1 17.963 35.925 2.49769 122.2 3.5 3.4 5.7
28 1 1 -8 18.025 36.05 2.48933 53.9 1.5 1.5 5.7
29 2 0 4 18.498 36.997 2.42778 376.9 10.8 10.5 5.7
30 1 2 4 18.632 37.265 2.41094 74.4 2.1 2.1 5.7
31 1 2 -5 18.793 37.585 2.3911 402.7 11.5 11.3 5.7
32 2 0 -6 18.855 37.711 2.38344 87.5 2.5 2.4 5.7
33 1 2 5 19.598 39.196 2.29648 234.3 6.7 6.5 5.7
34 1 1 -9 19.636 39.272 2.2922 40.3 1.2 1.1 5.7
35 1 2 -6 19.786 39.571 2.27555 56.6 1.6 1.6 5.7
36 2 0 6 20.739 41.477 2.17528 219.7 6.3 6.1 5.7
37 1 2 -7 20.922 41.843 2.1571 542.0 15.5 15.1 5.7
38 2 0 -8 21.192 42.385 2.13079 214.4 6.1 6.0 5.7
39 1 2 7 21.951 43.901 2.06064 158.9 4.5 4.4 5.7
40 1 2 -8 22.184 44.368 2.04004 60.3 1.7 1.7 5.7
41 0 0 12 23.017 46.035 1.96997 49.2 1.4 1.4 5.7
42 1 1 -11 23.078 46.156 1.96509 75.4 2.2 2.1 5.7
43 1 2 8 23.306 46.612 1.94692 52.9 1.5 1.5 5.7
44 2 0 8 23.469 46.939 1.93412 183.3 5.2 5.1 5.7
45 1 3 -1 23.564 47.128 1.92681 293.5 8.4 8.1 5.7
46 2 2 4 23.819 47.637 1.90738 57.1 1.6 1.6 5.7
47 1 2 9 24.763 49.527 1.83894 94.0 2.7 2.6 5.7
48 3 0 2 25.257 50.513 1.80532 42.7 1.2 1.2 5.8
49 3 1 -3 25.833 51.665 1.76774 44.2 1.3 1.2 5.8
50 3 0 -6 26.211 52.422 1.74399 127.3 3.6 3.5 5.8
51 1 2 -11 26.598 53.197 1.72039 259.6 7.4 7.1 5.8
52 0 0 14 27.141 54.282 1.68855 48.5 1.4 1.3 5.8
53 2 0 -12 27.179 54.358 1.68636 100.0 2.9 2.7 5.8
54 1 2 11 27.949 55.898 1.64349 152.9 4.4 4.2 5.8
55 1 2 -12 28.249 56.498 1.62746 54.0 1.5 1.5 5.8
56 3 2 -1 28.891 57.782 1.59429 248.8 7.1 6.8 5.8
57 3 2 0 28.997 57.993 1.589 79.2 2.3 2.2 5.8
58 3 2 -3 29.111 58.223 1.58328 130.8 3.7 3.6 5.8
59 3 2 1 29.244 58.489 1.57671 153.5 4.4 4.2 5.8
60 1 2 12 29.665 59.331 1.55633 82.1 2.3 2.2 5.8
61 3 2 -5 29.897 59.794 1.54539 62.7 1.8 1.7 5.8
62 1 2 -13 29.979 59.958 1.54153 127.4 3.6 3.5 5.8
63 0 4 1 30.05 60.1 1.53823 192.3 5.5 5.2 5.8
64 3 2 3 30.158 60.317 1.53322 57.4 1.6 1.6 5.8
65 0 4 2 30.26 60.52 1.52856 157.5 4.5 4.3 5.8
66 2 0 -14 30.681 61.361 1.5096 68.9 2.0 1.9 5.8
67 0 4 4 31.092 62.184 1.4916 54.3 1.5 1.5 5.8
68 3 2 -7 31.222 62.443 1.48602 110.1 3.1 3.0 5.8
69 0 0 16 31.423 62.845 1.47748 50.2 1.4 1.4 5.9
70 1 2 13 31.46 62.919 1.47592 124.2 3.5 3.4 5.9
71 3 2 5 31.604 63.208 1.46987 78.7 2.2 2.1 5.9
72 0 4 6 32.451 64.902 1.43554 78.2 2.2 2.1 5.9
73 3 2 -9 33.05 66.1 1.41241 77.4 2.2 2.1 5.9
74 0 4 7 33.318 66.637 1.40232 58.9 1.7 1.6 5.9
75 3 2 7 33.544 67.088 1.39398 55.0 1.6 1.5 5.9
76 1 2 -15 33.672 67.343 1.38931 38.9 1.1 1.0 5.9
77 4 0 -4 33.821 67.642 1.3839 63.4 1.8 1.7 5.9
78 2 0 -16 34.485 68.97 1.36046 55.5 1.6 1.5 5.9
79 4 0 -6 34.699 69.398 1.35312 40.3 1.2 1.1 5.9
80 2 4 0 34.841 69.683 1.34828 37.8 1.1 1.0 5.9
81 2 4 -2 34.888 69.775 1.34672 54.8 1.6 1.5 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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