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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KERNITE
2, f-borax
Na(2)B(4)O(6)(OH)(2).3H(2)O
Monoclinic P 2(1)/c Z = 4
R =0.034
31 .3 .17
Ref.Str.:
Cooper W.F., Larsen F.K., Coppens P., Giese R.F. (1973)
* Amer. Mineral., 58, 21-31
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.0172 alpha = 90.0
b = 9.1582 beta = 108.86
c = 15.6774 gamma = 90.0
Unit cell volume (cub. angs.) = 953.41
Molar volume ( cub.cm/mol.) = 143.57
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3196 0.4647 0.311 0.0 Na = 1.00
2 0.1863 0.3664 0.0725 0.0 Na = 1.00
3 0.5527 0.168 0.4217 0.0 B = 1.00
4 0.5534 0.2323 0.2688 0.0 B = 1.00
5 0.5744 0.4804 0.1998 0.0 B = 1.00
6 0.8682 0.3136 0.2419 0.0 B = 1.00
7 0.513 0.0249 0.3972 0.0 O = 1.00
8 0.4401 0.0987 0.2409 0.0 O = 1.00
9 0.767 0.2054 0.2685 0.0 O = 1.00
10 0.4647 0.3512 0.2088 0.0 O = 1.00
11 0.7914 0.4485 0.215 0.0 O = 1.00
12 0.0624 0.2905 0.2398 0.0 O = 1.00
13 0.5842 0.2934 0.0103 0.0 O = 1.00
14 0.7757 0.0332 0.0682 0.0 O = 1.00
15 0.5651 0.2729 0.3631 0.0 O = 1.00
16 0.0386 0.062 0.4148 0.0 O = 1.00
17 0.1677 0.1175 0.0765 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3196 0.4647 0.311
2 2 0.1863 0.3664 0.0725
3 3 0.5527 0.168 0.4217
4 4 0.5534 0.2323 0.2688
5 5 0.5744 0.4804 0.1998
6 6 0.8682 0.3136 0.2419
7 7 0.513 0.0249 0.3972
8 8 0.4401 0.0987 0.2409
9 9 0.767 0.2054 0.2685
10 10 0.4647 0.3512 0.2088
11 11 0.7914 0.4485 0.215
12 12 0.0624 0.2905 0.2398
13 13 0.5842 0.2934 0.0103
14 14 0.7757 0.0332 0.0682
15 15 0.5651 0.2729 0.3631
16 16 0.0386 0.062 0.4148
17 17 0.1677 0.1175 0.0765
18 1 0.6804 0.9647 0.189
19 2 0.8137 0.8664 0.4275
20 3 0.4473 0.668 0.0783
21 4 0.4466 0.7323 0.2312
22 5 0.4256 0.9804 0.3002
23 6 0.1318 0.8136 0.2581
24 7 0.487 0.5249 0.1028
25 8 0.5599 0.5987 0.2591
26 9 0.233 0.7054 0.2315
27 10 0.5353 0.8512 0.2912
28 11 0.2086 0.9485 0.285
29 12 0.9376 0.7905 0.2602
30 13 0.4158 0.7934 0.4897
31 14 0.2243 0.5332 0.4318
32 15 0.4349 0.7729 0.1369
33 16 0.9614 0.562 0.0852
34 17 0.8323 0.6175 0.4235
35 1 0.3196 0.0353 0.811
36 2 0.1863 0.1336 0.5725
37 3 0.5527 0.332 0.9217
38 4 0.5534 0.2677 0.7688
39 5 0.5744 0.0196 0.6998
40 6 0.8682 0.1864 0.7419
41 7 0.513 0.4751 0.8972
42 8 0.4401 0.4013 0.7409
43 9 0.767 0.2946 0.7685
44 10 0.4647 0.1488 0.7088
45 11 0.7914 0.0515 0.715
46 12 0.0624 0.2095 0.7398
47 13 0.5842 0.2066 0.5103
48 14 0.7757 0.4668 0.5682
49 15 0.5651 0.2271 0.8631
50 16 0.0386 0.438 0.9148
51 17 0.1677 0.3825 0.5765
52 1 0.6804 0.5353 0.689
53 2 0.8137 0.6336 0.9275
54 3 0.4473 0.832 0.5783
55 4 0.4466 0.7677 0.7312
56 5 0.4256 0.5196 0.8002
57 6 0.1318 0.6864 0.7581
58 7 0.487 0.9751 0.6028
59 8 0.5599 0.9013 0.7591
60 9 0.233 0.7946 0.7315
61 10 0.5353 0.6488 0.7912
62 11 0.2086 0.5515 0.785
63 12 0.9376 0.7095 0.7602
64 13 0.4158 0.7066 0.9897
65 14 0.2243 0.9668 0.9318
66 15 0.4349 0.7271 0.6369
67 16 0.9614 0.938 0.5852
68 17 0.8323 0.8825 0.9235
X-ray density (g/cm cub.) = 1.85
MU (1/cm) = 24.454 Mass attenuation coefficient (cm**2/g) = 13.239
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 6
2.3967 10
2.3975 12
2.4105 15
2.4296 8
2.508 9
2.2903 14
2 Na 2.808 5
2.3881 10
2.2859 17
2.477 7
2.4374 16
2.4417 16
3 B 1.872 3
1.3682 7
1.3517 15
1.3801 13
4 B 1.872 4
1.4477 8
1.5206 9
1.4414 10
1.5011 15
5 B 1.872 4
1.4429 10
1.4921 11
1.5016 7
1.4515 8
6 B 1.872 3
1.3608 9
1.3589 11
1.3896 12
7 O 3.264 6
2.4316 8
2.389 15
2.342 10
2.3913 11
2.7753 13
2.3635 13
8 O 3.264 8
2.4316 7
2.401 9
2.3844 10
3.1744 12
2.4282 15
2.6725 17
2.4223 10
2.3942 11
9 O 3.264 6
2.401 8
2.4237 10
2.4041 11
2.3889 12
2.4394 15
2.7913 16
10 O 3.264 8
2.3844 8
2.4237 9
2.4314 11
3.0668 12
2.3999 15
3.23 17
2.342 7
2.4223 8
11 O 3.264 6
2.4041 9
2.4314 10
2.3204 12
2.3913 7
2.3942 8
2.8662 16
12 O 3.264 4
3.1744 8
2.3889 9
3.0668 10
2.3204 11
13 O 3.264 4
2.7425 14
2.7753 7
2.3635 7
2.3477 15
14 O 3.264 3
2.7425 13
2.8187 17
2.7909 17
15 O 3.264 5
2.389 7
2.4282 8
2.4394 9
2.3999 10
2.3477 13
16 O 3.264 3
2.7913 9
2.8662 11
3.1079 16
17 O 3.264 4
2.6725 8
3.23 10
2.8187 14
2.7909 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 1 1 5.673 11.345 0.064 201.74 4 41.8 154.9
2 0 0 2 5.96 11.921 0.067 182.5 2 103.4 429.4
3 1 0 0 6.661 13.322 0.075 145.67 2 92.5 274.2
4 1 0 -2 7.369 14.738 0.083 118.62 2 50.7 67.1
5 0 1 2 7.679 15.359 0.087 109.05 4 0.3 0.0
6 1 1 -1 7.992 15.984 0.09 100.51 4 2.9 0.4
7 1 1 0 8.238 16.476 0.093 94.48 4 14.3 8.5
8 1 1 -2 8.823 17.646 0.1 82.08 4 9.7 3.4
9 1 1 1 9.479 18.957 0.107 70.82 4 27.4 23.4
10 0 2 0 9.684 19.368 0.109 67.76 2 10.9 1.8
11 0 2 1 10.14 20.279 0.114 61.62 4 26.0 18.3
12 0 1 3 10.196 20.393 0.115 60.91 4 12.4 4.1
13 1 0 2 10.309 20.618 0.116 59.54 2 29.4 11.3
14 1 1 -3 10.484 20.968 0.118 57.5 4 34.7 30.4
15 0 2 2 11.402 22.803 0.128 48.29 4 21.2 9.6
16 1 1 2 11.405 22.81 0.128 48.26 4 71.8 109.6
17 1 2 -1 11.618 23.235 0.131 46.43 4 4.9 0.5
18 1 0 -4 11.684 23.368 0.131 45.88 2 53.1 28.5
19 1 2 0 11.791 23.581 0.133 45.02 4 8.1 1.3
20 0 0 4 11.987 23.973 0.135 43.49 2 74.8 53.5
21 1 2 -2 12.212 24.425 0.137 41.82 4 14.4 3.8
22 1 1 -4 12.667 25.334 0.142 38.73 4 52.8 47.5
23 1 2 1 12.701 25.403 0.143 38.51 4 13.3 3.0
24 2 0 -2 12.793 25.586 0.144 37.93 2 8.4 0.6
25 0 1 4 12.948 25.896 0.145 36.98 4 28.1 12.9
26 0 2 3 13.253 26.507 0.149 35.2 4 51.4 40.9
27 2 0 0 13.415 26.829 0.151 34.31 2 32.9 8.2
28 1 2 -3 13.479 26.959 0.151 33.96 4 52.6 41.4
29 2 1 -1 13.664 27.328 0.153 33.0 4 45.1 29.5
30 2 1 -2 13.701 27.403 0.154 32.81 4 104.7 158.3
31 1 1 3 13.747 27.495 0.154 32.57 4 38.5 21.3
32 1 2 2 14.218 28.436 0.159 30.32 4 124.5 207.0
33 2 1 0 14.287 28.573 0.16 30.01 4 64.6 55.0
34 2 1 -3 14.394 28.788 0.161 29.54 4 21.4 5.9
35 2 0 -4 14.864 29.728 0.167 27.58 2 6.5 0.3
36 0 3 1 14.928 29.857 0.167 27.32 4 41.0 20.2
37 1 1 -5 15.167 30.335 0.17 26.41 4 9.6 1.1
38 1 2 -4 15.264 30.528 0.171 26.05 4 22.5 5.8
39 2 1 1 15.496 30.992 0.173 25.22 4 87.0 84.0
40 0 2 4 15.501 31.003 0.173 25.2 4 64.3 45.8
41 1 0 4 15.583 31.166 0.174 24.92 2 63.6 22.2
42 2 1 -4 15.662 31.324 0.175 24.65 4 47.0 23.9
43 0 3 2 15.834 31.669 0.177 24.07 4 38.9 16.0
44 0 1 5 15.836 31.673 0.177 24.07 4 14.2 2.1
45 1 3 -1 15.995 31.989 0.179 23.56 4 0.5 0.0
46 2 2 -1 16.113 32.227 0.18 23.18 4 40.7 16.9
47 1 3 0 16.124 32.247 0.18 23.15 4 67.9 46.9
48 2 2 -2 16.145 32.291 0.181 23.08 4 37.7 14.4
49 1 2 3 16.185 32.37 0.181 22.96 4 3.9 0.2
50 1 1 4 16.349 32.699 0.183 22.47 4 17.7 3.1
51 1 3 -2 16.442 32.885 0.184 22.19 4 15.6 2.4
52 2 0 2 16.449 32.898 0.184 22.17 2 23.9 2.8
53 2 2 0 16.652 33.305 0.186 21.59 4 45.7 19.8
54 2 2 -3 16.746 33.492 0.187 21.33 4 45.2 19.1
55 1 3 1 16.818 33.636 0.188 21.13 4 18.7 3.2
56 1 0 -6 17.169 34.338 0.192 20.2 2 95.2 40.3
57 2 1 2 17.181 34.362 0.192 20.17 4 16.0 2.3
58 0 3 3 17.249 34.499 0.192 20.0 4 8.6 0.6
59 2 1 -5 17.393 34.785 0.194 19.64 4 13.9 1.7
60 1 2 -5 17.425 34.851 0.194 19.56 4 83.0 59.3
61 1 3 -3 17.428 34.856 0.194 19.55 4 35.6 10.9
62 2 2 1 17.717 35.433 0.198 18.86 4 17.7 2.6
63 2 2 -4 17.864 35.728 0.199 18.52 4 73.3 43.8
64 1 1 -6 17.875 35.75 0.199 18.5 4 0.5 0.0
65 0 2 5 18.019 36.039 0.201 18.17 4 19.3 3.0
66 1 3 2 18.02 36.04 0.201 18.17 4 13.3 1.4
67 0 0 6 18.151 36.302 0.202 17.89 2 148.8 87.2
68 1 2 4 18.479 36.958 0.206 17.2 4 50.9 19.6
69 0 1 6 18.825 37.65 0.209 16.51 4 60.1 26.3
70 2 0 -6 18.827 37.654 0.209 16.5 2 34.0 4.2
71 1 3 -4 18.877 37.755 0.21 16.41 4 24.0 4.2
72 0 3 4 19.075 38.15 0.212 16.03 4 2.2 0.0
73 1 1 5 19.13 38.26 0.213 15.93 4 4.1 0.1
74 2 2 2 19.23 38.46 0.214 15.75 4 1.1 0.0
75 3 0 -2 19.234 38.468 0.214 15.74 2 26.8 2.5
76 2 1 3 19.234 38.468 0.214 15.74 4 17.3 2.1
77 2 2 -5 19.422 38.844 0.216 15.41 4 9.9 0.7
78 2 1 -6 19.481 38.962 0.216 15.3 4 51.3 17.8
79 2 3 -1 19.588 39.177 0.218 15.12 4 15.7 1.6
80 2 3 -2 19.615 39.231 0.218 15.07 4 85.1 48.1
81 1 3 3 19.649 39.298 0.218 15.02 4 10.1 0.7
82 0 4 0 19.66 39.319 0.218 15.0 2 32.4 3.5
83 1 2 -6 19.862 39.725 0.221 14.66 4 32.3 6.7
84 3 1 -2 19.876 39.753 0.221 14.64 4 34.8 7.8
85 0 4 1 19.902 39.804 0.221 14.59 4 17.1 1.9
86 3 1 -3 20.037 40.074 0.222 14.38 4 28.7 5.2
87 2 3 0 20.046 40.091 0.222 14.36 4 40.0 10.1
88 3 0 -4 20.047 40.094 0.223 14.36 2 33.0 3.4
89 2 3 -3 20.125 40.251 0.223 14.24 4 17.1 1.8
90 3 1 -1 20.196 40.393 0.224 14.13 4 46.3 13.3
91 3 0 0 20.365 40.73 0.226 13.87 2 99.8 30.4
92 0 4 2 20.615 41.231 0.229 13.49 4 36.2 7.8
93 3 1 -4 20.668 41.337 0.229 13.42 4 62.5 23.0
94 1 3 -5 20.709 41.418 0.23 13.36 4 14.5 1.2
95 0 2 6 20.735 41.469 0.23 13.32 4 8.2 0.4
96 1 1 -7 20.736 41.473 0.23 13.32 4 23.4 3.2
97 1 4 -1 20.743 41.487 0.23 13.31 4 17.0 1.7
98 1 4 0 20.847 41.693 0.231 13.16 4 36.6 7.8
99 2 3 1 20.961 41.922 0.232 13.0 4 60.3 20.8
100 2 0 4 20.973 41.945 0.232 12.98 2 17.8 0.9
101 3 1 0 20.978 41.957 0.232 12.98 4 0.4 0.0
102 1 2 5 21.016 42.032 0.233 12.92 4 13.5 1.0
103 2 3 -4 21.089 42.178 0.234 12.82 4 21.2 2.5
104 1 4 -2 21.103 42.207 0.234 12.8 4 98.1 54.3
105 2 2 3 21.113 42.225 0.234 12.79 4 15.9 1.4
106 0 3 5 21.225 42.449 0.235 12.64 4 56.7 17.9
107 2 2 -6 21.341 42.683 0.236 12.49 4 34.6 6.6
108 1 4 1 21.408 42.816 0.237 12.4 4 6.4 0.2
109 1 0 6 21.462 42.924 0.237 12.33 2 29.2 2.3
110 2 1 4 21.572 43.144 0.239 12.19 4 73.9 29.3
111 1 3 4 21.626 43.253 0.239 12.12 4 21.6 2.5
112 3 2 -2 21.709 43.417 0.24 12.02 4 28.7 4.4
113 3 1 -5 21.737 43.475 0.24 11.98 4 72.3 27.5
114 0 4 3 21.761 43.523 0.241 11.95 4 58.9 18.3
115 2 1 -7 21.847 43.693 0.242 11.85 4 46.5 11.3
116 3 2 -3 21.858 43.716 0.242 11.83 4 30.1 4.7
117 0 1 7 21.904 43.808 0.242 11.78 4 34.7 6.2
118 1 4 -3 21.909 43.817 0.242 11.77 4 52.2 14.1
119 3 2 -1 22.007 44.014 0.243 11.65 4 13.1 0.9
120 1 1 6 22.05 44.101 0.244 11.6 4 41.9 9.0
121 3 1 1 22.183 44.366 0.245 11.45 4 8.6 0.4
122 2 3 2 22.289 44.578 0.246 11.32 4 17.9 1.6
123 1 4 2 22.4 44.8 0.247 11.2 4 17.1 1.4
124 3 2 -4 22.448 44.896 0.248 11.14 4 15.3 1.2
125 2 3 -5 22.459 44.919 0.248 11.13 4 40.1 7.9
126 1 2 -7 22.511 45.023 0.249 11.07 4 42.6 8.9
127 3 0 -6 22.63 45.261 0.25 10.94 2 101.2 24.7
128 3 2 0 22.738 45.476 0.251 10.83 4 18.9 1.7
129 1 3 -6 22.851 45.702 0.252 10.71 4 19.6 1.8
130 1 4 -4 23.122 46.243 0.255 10.42 4 11.5 0.6
131 1 0 -8 23.172 46.344 0.255 10.37 2 52.5 6.3
132 3 1 -6 23.195 46.391 0.256 10.35 4 14.1 0.9
133 3 0 2 23.205 46.409 0.256 10.34 2 42.3 4.1
134 0 4 4 23.289 46.578 0.257 10.26 4 1.5 0.0
135 2 2 4 23.296 46.592 0.257 10.25 4 18.0 1.5
136 3 2 -5 23.452 46.903 0.258 10.1 4 27.1 3.3
137 2 2 -7 23.555 47.109 0.259 10.0 4 25.1 2.8
138 0 2 7 23.609 47.217 0.26 9.94 4 47.4 9.8
139 0 3 6 23.634 47.268 0.26 9.92 4 27.3 3.2
140 1 1 -8 23.727 47.454 0.261 9.83 4 43.1 8.0
141 2 4 -1 23.728 47.455 0.261 9.83 4 77.7 26.1
142 1 2 6 23.747 47.494 0.261 9.81 4 72.4 22.6
143 2 4 -2 23.751 47.502 0.261 9.81 4 16.0 1.1
144 3 1 2 23.759 47.518 0.262 9.8 4 91.1 35.8
145 1 4 3 23.78 47.559 0.262 9.78 4 35.1 5.3
146 3 2 1 23.872 47.744 0.263 9.7 4 18.8 1.5
147 1 3 5 23.888 47.777 0.263 9.68 4 60.3 15.5
148 2 0 -8 23.893 47.786 0.263 9.68 2 93.6 18.6
149 2 3 3 23.975 47.951 0.264 9.6 4 14.0 0.8
150 2 4 0 24.121 48.242 0.265 9.47 4 13.2 0.7
151 2 1 5 24.138 48.277 0.265 9.46 4 37.1 5.7
152 2 3 -6 24.183 48.365 0.266 9.42 4 15.3 1.0
153 2 4 -3 24.19 48.38 0.266 9.41 4 86.9 31.3
154 2 1 -8 24.436 48.871 0.269 9.2 4 7.8 0.2
155 3 3 -2 24.517 49.033 0.269 9.13 4 69.4 19.3
156 0 0 8 24.543 49.085 0.27 9.1 2 25.1 1.3
157 3 3 -3 24.653 49.305 0.271 9.01 4 23.0 2.1
158 1 4 -5 24.697 49.393 0.271 8.98 4 2.7 0.0
159 3 3 -1 24.788 49.576 0.272 8.9 4 1.9 0.0
160 3 2 -6 24.831 49.662 0.273 8.87 4 56.1 12.3
161 2 4 1 24.917 49.833 0.273 8.8 4 75.7 22.2
162 3 1 -7 24.992 49.983 0.274 8.74 4 26.6 2.7
163 2 4 -4 25.029 50.057 0.275 8.71 4 95.5 34.9
164 0 5 1 25.071 50.141 0.275 8.67 4 12.4 0.6
165 0 1 8 25.075 50.149 0.275 8.67 4 21.0 1.7
166 1 1 7 25.095 50.191 0.275 8.65 4 35.4 4.8
167 0 4 5 25.147 50.295 0.276 8.61 4 36.1 4.9
168 3 3 -4 25.192 50.383 0.276 8.58 4 4.4 0.1
169 1 3 -7 25.25 50.5 0.277 8.53 4 16.9 1.1
170 1 2 -8 25.337 50.674 0.278 8.47 4 43.9 7.2
171 3 2 2 25.367 50.735 0.278 8.44 4 15.9 0.9
172 3 3 0 25.458 50.916 0.279 8.38 4 46.2 7.9
173 1 4 4 25.501 51.002 0.279 8.34 4 75.9 21.1
174 3 1 3 25.658 51.315 0.281 8.23 4 62.7 14.2
175 0 5 2 25.669 51.338 0.281 8.22 4 67.6 16.5
176 2 2 5 25.729 51.458 0.282 8.18 4 12.5 0.6
177 1 5 -1 25.777 51.554 0.282 8.14 4 10.0 0.4
178 1 5 0 25.865 51.729 0.283 8.08 4 47.8 8.1
179 2 3 4 25.971 51.943 0.284 8.0 4 89.8 28.4
180 2 2 -8 26.013 52.026 0.285 7.98 4 30.0 3.2
181 1 5 -2 26.083 52.165 0.285 7.93 4 34.4 4.1
182 2 4 2 26.087 52.174 0.285 7.92 4 63.7 14.2
183 3 3 -5 26.115 52.23 0.286 7.9 4 19.5 1.3
184 4 0 -2 26.2 52.399 0.287 7.85 2 102.3 18.0
185 2 3 -7 26.21 52.42 0.287 7.84 4 26.7 2.5
186 2 4 -5 26.239 52.478 0.287 7.82 4 14.7 0.7
187 0 3 7 26.26 52.521 0.287 7.81 4 49.3 8.4
188 4 0 -4 26.286 52.572 0.287 7.79 2 25.5 1.1
189 1 5 1 26.342 52.685 0.288 7.75 4 61.4 12.9
190 1 3 6 26.388 52.776 0.288 7.72 4 8.1 0.2
191 2 0 6 26.393 52.785 0.289 7.72 2 34.0 2.0
192 3 3 1 26.504 53.008 0.29 7.64 4 10.9 0.4
193 3 2 -7 26.545 53.09 0.29 7.62 4 4.2 0.1
194 4 1 -3 26.558 53.116 0.29 7.61 4 98.8 32.7
195 3 0 -8 26.578 53.155 0.29 7.59 2 19.1 0.6
196 1 4 -6 26.588 53.177 0.291 7.59 4 55.8 10.4
197 0 2 8 26.624 53.249 0.291 7.56 4 93.5 29.1
198 1 2 7 26.644 53.288 0.291 7.55 4 35.3 4.1
199 0 5 3 26.645 53.29 0.291 7.55 4 11.7 0.5
200 4 1 -2 26.708 53.416 0.292 7.51 4 13.3 0.6
201 1 5 -3 26.772 53.543 0.292 7.47 4 39.4 5.1
202 4 1 -4 26.793 53.586 0.293 7.46 4 31.3 3.2
203 1 1 -9 26.839 53.679 0.293 7.43 4 49.0 7.8
204 2 1 6 26.898 53.797 0.294 7.39 4 17.1 0.9
205 3 1 -8 27.081 54.162 0.296 7.28 4 28.3 2.6
206 3 2 3 27.184 54.367 0.297 7.21 4 35.9 4.1
207 1 5 2 27.196 54.392 0.297 7.21 4 11.4 0.4
208 2 1 -9 27.216 54.432 0.297 7.2 4 31.6 3.2
209 4 1 -1 27.239 54.477 0.297 7.18 4 53.2 8.9
210 0 4 6 27.291 54.583 0.298 7.15 4 45.0 6.4
211 3 0 4 27.342 54.685 0.298 7.12 2 24.2 0.9
212 3 3 -6 27.396 54.792 0.299 7.09 4 44.4 6.2
213 4 1 -5 27.407 54.814 0.299 7.08 4 20.3 1.3
214 1 4 5 27.521 55.041 0.3 7.02 4 48.1 7.1
215 2 4 3 27.6 55.199 0.301 6.97 4 7.0 0.2
216 4 0 0 27.645 55.29 0.301 6.94 2 43.3 2.9
217 1 0 8 27.774 55.547 0.302 6.87 2 6.9 0.1
218 2 4 -6 27.787 55.574 0.303 6.86 4 5.8 0.1
219 1 5 -4 27.824 55.649 0.303 6.84 4 53.5 8.6
220 3 1 4 27.836 55.672 0.303 6.84 4 16.1 0.8
221 1 3 -8 27.868 55.737 0.303 6.82 4 21.9 1.4
222 4 0 -6 27.895 55.79 0.304 6.8 2 53.2 4.2
223 3 3 2 27.897 55.794 0.304 6.8 4 46.9 6.6
224 0 5 4 27.971 55.942 0.304 6.76 4 0.1 0.0
225 4 2 -3 28.05 56.099 0.305 6.72 4 19.5 1.1
226 3 4 -2 28.09 56.18 0.306 6.7 4 22.4 1.5
227 4 1 0 28.135 56.271 0.306 6.67 4 36.6 3.9
228 4 2 -2 28.194 56.388 0.307 6.64 4 37.1 4.0
229 3 4 -3 28.214 56.428 0.307 6.63 4 17.2 0.9
230 2 3 5 28.236 56.472 0.307 6.62 4 35.0 3.6
231 1 1 8 28.262 56.525 0.307 6.6 4 51.7 7.8
232 4 2 -4 28.276 56.553 0.308 6.6 4 15.5 0.7
233 1 2 -9 28.321 56.642 0.308 6.57 4 62.7 11.4
234 3 4 -1 28.337 56.674 0.308 6.56 4 6.3 0.1
235 0 1 9 28.346 56.692 0.308 6.56 4 57.2 9.4
236 2 5 -1 28.357 56.713 0.308 6.55 4 22.1 1.4
237 2 5 -2 28.377 56.754 0.309 6.54 4 7.9 0.2
238 2 2 6 28.378 56.756 0.309 6.54 4 24.0 1.7
239 4 1 -6 28.382 56.764 0.309 6.54 4 22.7 1.5
240 1 5 3 28.402 56.805 0.309 6.53 4 0.1 0.0
241 2 3 -8 28.503 57.005 0.31 6.48 4 78.3 17.5
242 3 2 -8 28.554 57.108 0.31 6.45 4 27.3 2.1
243 2 2 -9 28.684 57.369 0.312 6.39 4 32.7 3.0
244 2 5 0 28.704 57.409 0.312 6.38 4 19.0 1.0
245 3 4 -4 28.705 57.411 0.312 6.38 4 29.8 2.5
246 4 2 -1 28.706 57.413 0.312 6.38 4 9.5 0.3
247 1 4 -7 28.759 57.517 0.312 6.35 4 5.5 0.1
248 2 5 -3 28.765 57.531 0.312 6.35 4 19.6 1.1
249 4 2 -5 28.869 57.738 0.313 6.29 4 11.7 0.4
250 3 4 0 28.949 57.898 0.314 6.26 4 46.3 5.9
251 3 3 -7 29.003 58.007 0.315 6.23 4 37.1 3.8
252 0 3 8 29.078 58.156 0.315 6.19 4 28.1 2.2
253 1 3 7 29.097 58.194 0.316 6.18 4 32.5 2.9
254 1 5 -5 29.215 58.431 0.317 6.13 4 26.0 1.8
255 3 2 4 29.284 58.568 0.318 6.1 4 5.2 0.1
256 4 1 1 29.377 58.753 0.318 6.05 4 19.8 1.0
257 2 5 1 29.412 58.823 0.319 6.04 4 24.9 1.6
258 2 4 4 29.421 58.841 0.319 6.03 4 19.9 1.0
259 3 1 -9 29.427 58.855 0.319 6.03 4 8.6 0.2
260 2 5 -4 29.512 59.024 0.32 5.99 4 3.2 0.0
261 3 4 -5 29.553 59.106 0.32 5.97 4 14.3 0.5
262 4 2 0 29.574 59.148 0.32 5.96 4 26.6 1.9
263 3 3 3 29.607 59.213 0.321 5.95 4 29.1 2.2
264 1 0 -10 29.608 59.216 0.321 5.95 2 36.3 1.7
265 0 5 5 29.618 59.236 0.321 5.94 4 27.6 2.0
266 2 4 -7 29.641 59.281 0.321 5.93 4 35.8 3.3
267 0 4 7 29.687 59.374 0.321 5.91 4 45.3 5.3
268 4 1 -7 29.697 59.393 0.322 5.91 4 2.5 0.0
269 1 2 8 29.697 59.394 0.322 5.91 4 31.6 2.6
270 2 0 -10 29.703 59.406 0.322 5.9 2 32.2 1.3
271 0 2 9 29.778 59.557 0.322 5.87 4 8.5 0.2
272 1 4 6 29.805 59.61 0.323 5.86 4 30.8 2.4
273 4 2 -6 29.813 59.626 0.323 5.85 4 21.3 1.2
274 2 1 7 29.835 59.67 0.323 5.85 4 11.8 0.4
275 3 4 1 29.912 59.823 0.324 5.81 4 31.8 2.6
276 1 5 4 29.935 59.87 0.324 5.8 4 51.6 6.8
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 1 1 5.673 11.345 7.79295 154.9 36.1 36.1 5.6
2 0 0 2 5.96 11.921 7.41781 429.4 100.0 100.0 5.6
3 1 0 0 6.661 13.322 6.64042 274.2 63.8 63.8 5.6
4 1 0 -2 7.369 14.738 6.00557 67.1 15.6 15.6 5.6
5 1 1 0 8.238 16.476 5.37595 8.5 2.0 2.0 5.6
6 1 1 1 9.479 18.957 4.67742 23.4 5.5 5.4 5.6
7 0 2 1 10.14 20.279 4.37542 18.3 4.3 4.2 5.6
8 1 0 2 10.309 20.618 4.30419 11.3 2.6 2.6 5.6
9 1 1 -3 10.484 20.968 4.2332 30.4 7.1 7.0 5.6
10 1 1 2 11.405 22.81 3.89542 119.2 27.7 27.6 5.6
11 1 0 -4 11.684 23.368 3.80357 28.5 6.6 6.6 5.6
12 0 0 4 11.987 23.973 3.7089 53.5 12.5 12.4 5.6
13 1 1 -4 12.667 25.334 3.51267 47.5 11.1 11.0 5.6
14 0 1 4 12.948 25.896 3.43769 12.9 3.0 3.0 5.6
15 0 2 3 13.253 26.507 3.35989 40.9 9.5 9.4 5.6
16 2 0 0 13.415 26.829 3.32021 8.2 1.9 1.9 5.6
17 1 2 -3 13.479 26.959 3.3046 41.4 9.6 9.5 5.6
18 2 1 -1 13.664 27.328 3.26071 29.5 6.9 6.8 5.6
19 2 1 -2 13.701 27.403 3.252 158.3 36.9 36.5 5.6
20 1 1 3 13.747 27.495 3.24134 21.3 5.0 4.9 5.6
21 1 2 2 14.218 28.436 3.13621 207.0 48.2 47.6 5.6
22 2 1 0 14.287 28.573 3.12141 55.0 12.8 12.7 5.6
23 2 1 -3 14.394 28.788 3.09864 5.9 1.4 1.4 5.6
24 0 3 1 14.928 29.857 2.99009 20.2 4.7 4.7 5.6
25 1 2 -4 15.264 30.528 2.92586 5.8 1.4 1.3 5.6
26 2 1 1 15.496 30.992 2.88309 129.8 30.2 29.8 5.6
27 1 0 4 15.583 31.166 2.86739 22.2 5.2 5.1 5.6
28 2 1 -4 15.662 31.324 2.85333 23.9 5.6 5.5 5.6
29 0 3 2 15.834 31.669 2.82302 18.2 4.2 4.2 5.6
30 1 3 0 16.124 32.247 2.77367 78.2 18.2 18.0 5.6
31 2 0 2 16.449 32.898 2.72026 5.1 1.2 1.2 5.6
32 2 2 0 16.652 33.305 2.68797 19.8 4.6 4.6 5.6
33 2 2 -3 16.746 33.492 2.6734 19.1 4.5 4.4 5.7
34 1 0 -6 17.169 34.338 2.60939 42.6 9.9 9.8 5.7
35 1 2 -5 17.425 34.851 2.57222 70.2 16.3 16.1 5.7
36 2 2 -4 17.864 35.728 2.51104 43.8 10.2 10.0 5.7
37 0 2 5 18.019 36.039 2.49007 4.4 1.0 1.0 5.7
38 0 0 6 18.151 36.302 2.4726 87.2 20.3 19.9 5.7
39 1 2 4 18.479 36.958 2.43024 19.6 4.6 4.5 5.7
40 0 1 6 18.825 37.65 2.38713 30.5 7.1 7.0 5.7
41 3 0 -2 19.234 38.468 2.33826 4.5 1.1 1.0 5.7
42 2 1 -6 19.481 38.962 2.30973 17.8 4.1 4.0 5.7
43 2 3 -2 19.615 39.231 2.29452 49.7 11.6 11.3 5.7
44 3 1 -2 19.876 39.753 2.26558 16.4 3.8 3.7 5.7
45 2 3 0 20.046 40.091 2.24723 18.7 4.4 4.3 5.7
46 3 1 -1 20.196 40.393 2.23116 13.3 3.1 3.0 5.7
47 3 0 0 20.365 40.73 2.21347 30.4 7.1 6.9 5.7
48 0 4 2 20.615 41.231 2.18771 7.8 1.8 1.8 5.7
49 3 1 -4 20.668 41.337 2.18235 23.0 5.4 5.2 5.7
50 1 1 -7 20.736 41.473 2.1755 6.5 1.5 1.5 5.7
51 1 4 0 20.847 41.693 2.1645 7.8 1.8 1.8 5.7
52 2 3 1 20.961 41.922 2.15321 21.7 5.1 4.9 5.7
53 1 4 -2 21.103 42.207 2.13935 58.2 13.6 13.2 5.7
54 0 3 5 21.225 42.449 2.12769 17.9 4.2 4.1 5.7
55 2 2 -6 21.341 42.683 2.1166 6.6 1.5 1.5 5.7
56 2 1 4 21.572 43.144 2.09503 29.3 6.8 6.6 5.7
57 3 2 -2 21.709 43.417 2.08247 4.4 1.0 1.0 5.7
58 3 1 -5 21.737 43.475 2.07986 45.8 10.7 10.4 5.7
59 2 1 -7 21.847 43.693 2.06997 16.0 3.7 3.6 5.7
60 1 4 -3 21.909 43.817 2.0644 20.4 4.7 4.6 5.7
61 1 1 6 22.05 44.101 2.05177 9.0 2.1 2.0 5.7
62 2 3 -5 22.459 44.919 2.01629 9.0 2.1 2.0 5.7
63 1 2 -7 22.511 45.023 2.01187 8.9 2.1 2.0 5.7
64 3 0 -6 22.63 45.261 2.00186 24.7 5.7 5.6 5.7
65 1 0 -8 23.172 46.344 1.95756 7.2 1.7 1.6 5.7
66 0 2 7 23.609 47.217 1.92335 13.1 3.0 3.0 5.7
67 1 2 6 23.747 47.494 1.9128 99.0 23.0 22.4 5.7
68 2 0 -8 23.893 47.786 1.90178 35.6 8.3 8.1 5.7
69 2 1 5 24.138 48.277 1.8836 5.7 1.3 1.3 5.7
70 2 4 -3 24.19 48.38 1.87981 31.3 7.3 7.1 5.7
71 3 3 -2 24.517 49.033 1.85629 20.6 4.8 4.6 5.7
72 3 2 -6 24.831 49.662 1.83424 12.3 2.9 2.8 5.7
73 2 4 1 24.917 49.833 1.82834 22.2 5.2 5.0 5.7
74 2 4 -4 25.029 50.057 1.82068 34.9 8.1 7.9 5.7
75 1 1 7 25.095 50.191 1.81616 6.5 1.5 1.5 5.7
76 0 4 5 25.147 50.295 1.81264 4.9 1.1 1.1 5.8
77 1 2 -8 25.337 50.674 1.79998 7.2 1.7 1.6 5.8
78 3 3 0 25.458 50.916 1.79198 7.9 1.8 1.8 5.8
79 1 4 4 25.501 51.002 1.78917 21.1 4.9 4.8 5.8
80 0 5 2 25.669 51.338 1.77823 30.8 7.2 6.9 5.8
81 1 5 0 25.865 51.729 1.7657 8.1 1.9 1.8 5.8
82 2 3 4 25.971 51.943 1.75895 28.4 6.6 6.4 5.8
83 2 4 2 26.087 52.174 1.75168 19.6 4.6 4.4 5.8
84 4 0 -2 26.2 52.399 1.74469 20.5 4.8 4.6 5.8
85 0 3 7 26.26 52.521 1.74094 9.5 2.2 2.1 5.8
86 1 5 1 26.342 52.685 1.7359 12.9 3.0 2.9 5.8
87 4 1 -3 26.558 53.116 1.72283 33.3 7.8 7.5 5.8
88 1 4 -6 26.588 53.177 1.72099 10.4 2.4 2.3 5.8
89 0 2 8 26.624 53.249 1.71885 33.7 7.8 7.6 5.8
90 1 5 -3 26.772 53.543 1.71008 8.3 1.9 1.9 5.8
91 1 1 -9 26.839 53.679 1.70609 7.8 1.8 1.8 5.8
92 3 2 3 27.184 54.367 1.68609 4.5 1.1 1.0 5.8
93 4 1 -1 27.239 54.477 1.68295 12.1 2.8 2.7 5.8
94 0 4 6 27.291 54.583 1.67995 6.4 1.5 1.4 5.8
95 3 3 -6 27.396 54.792 1.67402 7.4 1.7 1.7 5.8
96 1 4 5 27.521 55.041 1.66702 7.1 1.7 1.6 5.8
97 1 5 -4 27.824 55.649 1.65026 9.4 2.2 2.1 5.8
98 3 3 2 27.897 55.794 1.6463 12.3 2.9 2.7 5.8
99 4 2 -2 28.194 56.388 1.63036 4.9 1.1 1.1 5.8
100 1 1 8 28.262 56.525 1.62674 11.3 2.6 2.5 5.8
101 1 2 -9 28.321 56.642 1.62366 20.9 4.9 4.7 5.8
102 4 1 -6 28.382 56.764 1.62045 4.7 1.1 1.1 5.8
103 2 3 -8 28.503 57.005 1.61418 17.5 4.1 3.9 5.8
104 2 2 -9 28.684 57.369 1.6048 6.8 1.6 1.5 5.8
105 3 4 0 28.949 57.898 1.59138 5.9 1.4 1.3 5.8
106 1 3 7 29.097 58.194 1.584 5.0 1.2 1.1 5.8
107 3 3 3 29.607 59.213 1.55914 5.9 1.4 1.3 5.8
108 0 4 7 29.687 59.374 1.55531 9.3 2.2 2.1 5.8
109 1 5 4 29.935 59.87 1.54359 9.4 2.2 2.1 5.8
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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