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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LORENZENITE
1
Na(2)Ti(2)Si(2)O(9)
Orthorhombic P nca Z = 4
Pnca
19 .11 .1998
Ref.Str.:
Chin-Khan, Simonov M.A., Belov N.V. (1969)
* Dokl. Akad. Nauk SSSR, 186, 820-823
Reserv:
Ramsayite.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.518 alpha = 90.0
b = 8.976 beta = 90.0
c = 5.081 gamma = 90.0
Unit cell volume (cub. angs.) = 662.12
Molar volume ( cub.cm/mol.) = 99.71
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.169 0.652 0.631 0.0 Ti = 1.00
2 0.026 0.158 0.206 0.0 Si = 1.00
3 0.155 0.066 0.643 0.0 Na = 1.00
4 0.25 0.0 0.014 0.0 O = 1.00
5 0.072 0.515 0.741 0.0 O = 1.00
6 0.064 0.266 0.449 0.0 O = 1.00
7 0.274 0.182 0.443 0.0 O = 1.00
8 0.085 0.569 0.292 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.169 0.652 0.631
2 2 0.026 0.158 0.206
3 3 0.155 0.066 0.643
4 4 0.25 0.0 0.014
5 5 0.072 0.515 0.741
6 6 0.064 0.266 0.449
7 7 0.274 0.182 0.443
8 8 0.085 0.569 0.292
9 1 0.331 0.348 0.631
10 2 0.474 0.842 0.206
11 3 0.345 0.934 0.643
12 5 0.428 0.485 0.741
13 6 0.436 0.734 0.449
14 7 0.226 0.818 0.443
15 8 0.415 0.431 0.292
16 1 0.331 0.152 0.131
17 2 0.474 0.658 0.706
18 3 0.345 0.566 0.143
19 4 0.25 0.5 0.514
20 5 0.428 0.015 0.241
21 6 0.436 0.766 0.949
22 7 0.226 0.682 0.943
23 8 0.415 0.069 0.792
24 1 0.169 0.848 0.131
25 2 0.026 0.342 0.706
26 3 0.155 0.434 0.143
27 5 0.072 0.985 0.241
28 6 0.064 0.234 0.949
29 7 0.274 0.318 0.943
30 8 0.085 0.931 0.792
31 1 0.669 0.652 0.369
32 2 0.526 0.158 0.794
33 3 0.655 0.066 0.357
34 4 0.75 0.0 0.986
35 5 0.572 0.515 0.259
36 6 0.564 0.266 0.551
37 7 0.774 0.182 0.557
38 8 0.585 0.569 0.708
39 1 0.831 0.348 0.369
40 2 0.974 0.842 0.794
41 3 0.845 0.934 0.357
42 5 0.928 0.485 0.259
43 6 0.936 0.734 0.551
44 7 0.726 0.818 0.557
45 8 0.915 0.431 0.708
46 1 0.831 0.152 0.869
47 2 0.974 0.658 0.294
48 3 0.845 0.566 0.857
49 4 0.75 0.5 0.486
50 5 0.928 0.015 0.759
51 6 0.936 0.766 0.051
52 7 0.726 0.682 0.057
53 8 0.915 0.069 0.208
54 1 0.669 0.848 0.869
55 2 0.526 0.342 0.294
56 3 0.655 0.434 0.857
57 5 0.572 0.985 0.759
58 6 0.564 0.234 0.051
59 7 0.774 0.318 0.057
60 8 0.585 0.931 0.208
X-ray density (g/cm cub.) = 3.43
MU (1/cm) = 264.451 Mass attenuation coefficient (cm**2/g) = 77.119
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ti 2.568 5
1.9513 5
2.2381 8
1.9538 7
1.8968 4
1.8084 7
2 Si 2.1 4
1.6639 6
1.6997 5
1.5732 6
1.7987 8
3 Na 2.808 7
2.4097 4
2.4372 6
2.2587 7
2.6553 7
2.4805 5
2.5371 6
1.7534 8
4 O 3.264 8
2.7462 7
2.7462 7
2.8331 5
2.8981 7
2.7192 8
2.8331 5
2.8981 7
2.7192 8
5 O 3.264 9
2.6852 6
2.8475 8
2.3399 8
2.8331 4
2.8808 7
2.7372 6
3.2312 5
2.9487 6
2.4066 8
6 O 3.264 9
2.6852 5
3.1408 7
2.8507 8
2.7372 5
2.5567 6
2.5567 6
2.9487 5
2.9334 8
3.0505 8
7 O 3.264 8
2.7462 4
3.1408 6
3.1264 8
2.8981 4
2.8808 5
2.892 8
2.8186 7
2.8186 7
8 O 3.264 9
2.3399 5
2.8475 5
2.8507 6
3.1264 7
2.7192 4
2.892 7
2.4066 5
2.9334 6
3.0505 6
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 6.091 12.183 0.069 174.65 2 3.2 0.8
2 2 1 0 7.844 15.687 0.089 104.44 4 53.7 275.0
3 0 2 0 9.883 19.765 0.111 64.98 2 9.5 2.7
4 0 1 1 10.032 20.065 0.113 62.99 4 58.7 198.0
5 1 1 1 10.492 20.985 0.118 57.4 8 27.9 81.8
6 2 2 0 11.641 23.283 0.131 46.23 4 8.0 2.7
7 2 1 1 11.77 23.539 0.132 45.19 8 3.0 0.8
8 4 0 0 12.253 24.506 0.138 41.53 2 20.3 7.8
9 4 1 0 13.234 26.467 0.149 35.31 4 185.2 1104.5
10 1 2 1 13.595 27.191 0.153 33.35 8 23.6 34.0
11 3 1 1 13.649 27.298 0.153 33.07 8 2.0 0.2
12 2 2 1 14.619 29.238 0.164 28.58 8 91.6 437.4
13 4 2 0 15.839 31.679 0.177 24.06 4 69.2 105.0
14 4 1 1 15.936 31.873 0.178 23.74 8 16.8 12.2
15 2 3 0 16.168 32.336 0.181 23.01 4 45.5 43.5
16 3 2 1 16.193 32.387 0.181 22.94 8 198.2 1643.4
17 0 3 1 17.384 34.767 0.194 19.66 4 64.4 74.3
18 0 0 2 17.65 35.3 0.197 19.02 2 84.5 61.9
19 1 3 1 17.664 35.329 0.197 18.98 8 105.6 386.1
20 1 0 2 17.927 35.854 0.2 18.38 4 129.5 281.1
21 4 2 1 18.193 36.386 0.203 17.8 8 90.0 263.2
22 2 3 1 18.485 36.969 0.206 17.18 8 37.0 42.9
23 5 1 1 18.504 37.008 0.206 17.15 8 54.3 92.1
24 6 0 0 18.563 37.125 0.207 17.03 2 64.8 32.6
25 1 1 2 18.635 37.271 0.207 16.88 8 14.8 6.8
26 2 0 2 18.737 37.475 0.209 16.68 4 127.1 245.7
27 6 1 0 19.251 38.502 0.214 15.71 4 30.6 13.4
28 2 1 2 19.42 38.841 0.216 15.41 8 16.4 7.5
29 4 3 0 19.49 38.98 0.217 15.29 4 99.3 137.5
30 3 3 1 19.787 39.574 0.22 14.78 8 9.8 2.6
31 3 0 2 20.026 40.051 0.222 14.39 4 8.2 0.9
32 0 4 0 20.076 40.151 0.223 14.31 2 67.7 29.9
33 0 2 2 20.39 40.78 0.226 13.83 4 78.0 76.9
34 5 2 1 20.515 41.03 0.227 13.64 8 37.1 34.3
35 1 2 2 20.636 41.271 0.229 13.46 8 22.8 12.7
36 3 1 2 20.673 41.345 0.229 13.41 8 84.9 176.3
37 2 4 0 21.057 42.113 0.233 12.87 4 35.6 14.9
38 6 2 0 21.202 42.404 0.235 12.67 4 55.1 35.0
39 6 1 1 21.278 42.555 0.236 12.57 8 4.1 0.4
40 2 2 2 21.359 42.718 0.236 12.46 8 32.1 23.5
41 4 3 1 21.498 42.996 0.238 12.28 8 77.3 134.0
42 4 0 2 21.722 43.443 0.24 12.0 4 35.7 14.0
43 1 4 1 22.271 44.541 0.246 11.35 8 26.2 14.3
44 4 1 2 22.328 44.657 0.247 11.28 8 27.7 15.8
45 3 2 2 22.522 45.045 0.249 11.06 8 2.3 0.1
46 2 4 1 22.952 45.904 0.253 10.6 8 27.7 14.8
47 6 2 1 23.088 46.177 0.255 10.46 8 46.9 41.9
48 5 3 1 23.55 47.1 0.259 10.0 8 52.3 50.0
49 1 3 2 23.658 47.316 0.26 9.9 8 55.5 55.7
50 5 0 2 23.758 47.516 0.262 9.8 4 166.9 249.0
51 4 4 0 23.802 47.603 0.262 9.76 4 14.1 1.8
52 3 4 1 24.055 48.11 0.265 9.53 8 59.8 62.1
53 4 2 2 24.076 48.153 0.265 9.51 8 48.7 41.1
54 6 3 0 24.168 48.336 0.266 9.43 4 34.7 10.3
55 7 1 1 24.219 48.438 0.266 9.38 8 69.2 81.9
56 2 3 2 24.31 48.619 0.267 9.3 8 3.9 0.3
57 5 1 2 24.325 48.65 0.267 9.29 8 9.7 1.6
58 8 0 0 25.116 50.232 0.276 8.64 2 97.5 37.5
59 3 3 2 25.367 50.735 0.278 8.44 8 7.8 0.9
60 4 4 1 25.538 51.075 0.28 8.32 8 29.3 13.0
61 8 1 0 25.661 51.322 0.281 8.23 4 49.0 18.0
62 7 2 1 25.869 51.739 0.283 8.08 8 39.6 23.1
63 6 3 1 25.886 51.772 0.283 8.06 8 126.9 237.1
64 5 2 2 25.97 51.941 0.284 8.0 8 12.3 2.2
65 6 0 2 26.08 52.16 0.285 7.93 4 45.6 15.0
66 2 5 0 26.232 52.464 0.287 7.82 4 109.2 85.2
67 6 1 2 26.611 53.221 0.291 7.57 8 37.7 19.6
68 4 3 2 26.797 53.594 0.293 7.45 8 3.4 0.2
69 0 5 1 27.07 54.139 0.295 7.28 4 28.6 5.4
70 8 2 0 27.248 54.496 0.297 7.18 4 19.9 2.6
71 0 4 2 27.258 54.516 0.297 7.17 4 58.1 22.1
72 1 5 1 27.268 54.536 0.297 7.16 8 56.1 41.1
73 8 1 1 27.311 54.621 0.298 7.14 8 20.9 5.7
74 5 4 1 27.358 54.716 0.298 7.11 8 26.3 9.0
75 1 4 2 27.455 54.911 0.299 7.05 8 79.3 81.0
76 0 1 3 27.57 55.139 0.3 6.99 4 45.2 13.0
77 1 1 3 27.766 55.531 0.302 6.88 8 23.0 6.6
78 2 5 1 27.858 55.716 0.303 6.82 8 13.3 2.2
79 6 4 0 27.915 55.829 0.304 6.79 4 171.1 181.4
80 2 4 2 28.043 56.085 0.305 6.72 8 20.5 5.2
81 6 2 2 28.16 56.321 0.306 6.66 8 67.8 55.9
82 2 1 3 28.349 56.697 0.308 6.56 8 38.9 18.1
83 7 3 1 28.467 56.934 0.309 6.5 8 124.3 183.1
84 5 3 2 28.562 57.123 0.31 6.45 8 29.4 10.2
85 4 5 0 28.6 57.2 0.311 6.43 4 184.6 199.8
86 7 0 2 28.649 57.298 0.311 6.4 4 165.4 159.9
87 3 5 1 28.823 57.646 0.313 6.32 8 42.3 20.6
88 8 2 1 28.835 57.67 0.313 6.31 8 78.4 70.8
89 3 4 2 29.004 58.007 0.315 6.23 8 24.3 6.7
90 7 1 2 29.148 58.296 0.316 6.16 8 8.0 0.7
91 1 2 3 29.275 58.549 0.317 6.1 8 97.0 104.8
92 3 1 3 29.303 58.606 0.318 6.09 8 44.7 22.1
93 6 4 1 29.478 58.956 0.319 6.01 8 23.1 5.9
94 8 3 0 29.764 59.528 0.322 5.88 4 63.3 21.5
95 2 2 3 29.838 59.677 0.323 5.84 8 104.7 116.8
96 4 5 1 30.141 60.282 0.326 5.71 8 13.2 1.8
97 4 4 2 30.317 60.633 0.328 5.64 8 42.3 18.4
98 9 1 1 30.55 61.101 0.33 5.54 8 10.4 1.1
99 4 1 3 30.608 61.216 0.331 5.52 8 10.8 1.2
100 7 2 2 30.613 61.226 0.331 5.52 8 23.6 5.6
101 6 3 2 30.628 61.256 0.331 5.51 8 10.9 1.2
102 3 2 3 30.764 61.528 0.332 5.46 8 48.7 23.6
103 0 6 0 30.99 61.981 0.334 5.37 2 120.7 35.7
104 8 3 1 31.269 62.538 0.337 5.27 8 64.1 39.5
105 8 0 2 31.441 62.883 0.339 5.2 4 25.0 3.0
106 0 3 3 31.508 63.015 0.339 5.18 4 149.2 105.2
107 1 3 3 31.688 63.376 0.341 5.11 8 77.9 56.6
108 2 6 0 31.716 63.433 0.341 5.1 4 22.9 2.4
109 5 5 1 31.786 63.572 0.342 5.08 8 19.0 3.3
110 7 4 1 31.868 63.736 0.343 5.05 8 58.9 32.0
111 1 5 2 31.875 63.75 0.343 5.05 8 33.9 10.6
112 8 1 2 31.913 63.827 0.343 5.04 8 37.9 13.2
113 5 4 2 31.957 63.913 0.344 5.02 8 44.7 18.3
114 9 2 1 31.977 63.954 0.344 5.01 8 96.1 84.5
115 4 2 3 32.034 64.067 0.344 4.99 8 103.2 97.1
116 10 0 0 32.044 64.088 0.344 4.99 2 111.9 28.5
117 2 3 3 32.227 64.454 0.346 4.93 8 35.4 11.3
118 5 1 3 32.24 64.48 0.346 4.93 8 30.8 8.6
119 6 5 0 32.295 64.589 0.347 4.91 4 36.9 6.1
120 2 5 2 32.412 64.824 0.348 4.87 8 47.2 19.8
121 10 1 0 32.511 65.022 0.349 4.84 4 86.0 32.7
122 1 6 1 32.64 65.281 0.35 4.8 8 21.5 4.1
123 7 3 2 32.97 65.939 0.353 4.69 8 10.2 0.9
124 8 4 0 33.085 66.17 0.354 4.66 4 0.5 0.0
125 3 3 3 33.114 66.229 0.355 4.65 8 24.2 5.0
126 2 6 1 33.171 66.341 0.355 4.63 8 21.2 3.8
127 3 5 2 33.297 66.593 0.356 4.6 8 167.3 234.7
128 8 2 2 33.308 66.615 0.356 4.59 8 64.9 35.4
129 5 2 3 33.627 67.254 0.359 4.5 8 61.4 31.0
130 6 5 1 33.736 67.472 0.36 4.47 8 12.9 1.4
131 4 6 0 33.843 67.686 0.362 4.44 4 79.6 25.7
132 10 2 0 33.893 67.785 0.362 4.43 4 8.3 0.3
133 6 4 2 33.901 67.803 0.362 4.43 8 18.9 2.9
134 10 1 1 33.948 67.895 0.362 4.41 8 1.1 0.0
135 3 6 1 34.045 68.091 0.363 4.39 8 34.0 9.3
136 6 1 3 34.176 68.352 0.365 4.35 8 9.8 0.8
137 9 3 1 34.283 68.565 0.366 4.32 8 73.4 42.5
138 4 3 3 34.337 68.674 0.366 4.31 8 20.9 3.4
139 9 0 2 34.447 68.893 0.367 4.28 4 66.1 17.1
140 8 4 1 34.51 69.019 0.368 4.27 8 20.8 3.4
141 4 5 2 34.516 69.032 0.368 4.26 8 84.7 55.8
142 9 1 2 34.898 69.795 0.371 4.17 8 93.8 67.0
143 1 4 3 34.908 69.817 0.371 4.17 8 40.9 12.7
144 4 6 1 35.253 70.505 0.375 4.09 8 18.0 2.4
145 10 2 1 35.301 70.603 0.375 4.07 8 96.9 69.8
146 2 4 3 35.422 70.844 0.376 4.05 8 21.0 3.3
147 6 2 3 35.526 71.052 0.377 4.02 8 33.1 8.0
148 8 3 2 35.57 71.14 0.378 4.01 8 43.4 13.8
149 5 3 3 35.88 71.76 0.38 3.95 8 58.4 24.6
150 7 5 1 35.972 71.944 0.381 3.93 8 11.6 1.0
151 5 5 2 36.056 72.111 0.382 3.91 8 27.2 5.3
152 7 4 2 36.133 72.265 0.383 3.89 8 96.0 65.5
153 10 3 0 36.138 72.276 0.383 3.89 4 72.8 18.8
154 9 2 2 36.235 72.471 0.384 3.87 8 13.7 1.3
155 3 4 3 36.272 72.543 0.384 3.86 8 6.2 0.3
156 7 1 3 36.4 72.8 0.385 3.84 8 16.9 2.0
157 0 6 2 36.693 73.387 0.388 3.78 4 37.3 4.8
158 5 6 1 36.779 73.557 0.389 3.76 8 0.5 0.0
159 1 6 2 36.862 73.723 0.389 3.75 8 42.7 12.4
160 8 5 0 37.124 74.249 0.392 3.7 4 65.6 14.5
161 6 6 0 37.254 74.509 0.393 3.67 4 67.6 15.3
162 0 0 4 37.33 74.659 0.394 3.66 2 44.2 3.3
163 2 6 2 37.364 74.729 0.394 3.65 8 88.6 52.3
164 9 4 1 37.395 74.791 0.394 3.65 8 3.9 0.1
165 4 4 3 37.448 74.896 0.395 3.64 8 48.7 15.7
166 1 0 4 37.497 74.994 0.395 3.63 4 57.7 11.0
167 10 3 1 37.51 75.021 0.395 3.63 8 22.7 3.4
168 11 1 1 37.522 75.045 0.395 3.63 8 17.3 2.0
169 2 7 0 37.59 75.18 0.396 3.61 4 43.1 6.1
170 10 0 2 37.669 75.337 0.397 3.6 4 18.6 1.1
171 7 2 3 37.716 75.432 0.397 3.59 8 24.8 4.0
172 6 3 3 37.729 75.459 0.397 3.59 8 95.8 60.1
173 6 5 2 37.902 75.804 0.399 3.56 8 66.9 29.1
174 1 1 4 37.933 75.866 0.399 3.56 8 68.8 30.7
175 2 0 4 37.997 75.993 0.4 3.54 4 97.2 30.5
176 10 1 2 38.104 76.208 0.401 3.53 8 87.5 49.2
177 3 6 2 38.197 76.394 0.401 3.51 8 37.0 8.8
178 0 7 1 38.283 76.566 0.402 3.5 4 90.7 26.2
179 9 3 2 38.424 76.847 0.403 3.48 8 23.2 3.4
180 2 1 4 38.431 76.861 0.403 3.47 8 50.8 16.4
181 1 7 1 38.448 76.897 0.404 3.47 8 109.3 75.7
182 8 5 1 38.484 76.968 0.404 3.47 8 5.7 0.2
183 6 6 1 38.613 77.225 0.405 3.45 8 23.9 3.6
184 8 4 2 38.641 77.282 0.405 3.44 8 17.4 1.9
185 0 5 3 38.701 77.403 0.406 3.43 4 19.8 1.2
186 3 0 4 38.825 77.65 0.407 3.42 4 17.2 0.9
187 11 2 1 38.825 77.65 0.407 3.42 8 21.2 2.8
188 1 5 3 38.866 77.733 0.407 3.41 8 12.0 0.9
189 8 1 3 38.902 77.804 0.408 3.4 8 38.5 9.2
190 5 4 3 38.942 77.883 0.408 3.4 8 56.7 19.9
191 2 7 1 38.944 77.889 0.408 3.4 8 54.3 18.3
192 0 2 4 39.066 78.133 0.409 3.38 4 24.3 1.8
193 10 4 0 39.192 78.385 0.41 3.36 4 0.9 0.0
194 1 2 4 39.231 78.462 0.411 3.36 8 29.2 5.2
195 3 1 4 39.256 78.512 0.411 3.35 8 59.1 21.4
196 4 6 2 39.353 78.707 0.412 3.34 8 20.9 2.7
197 2 5 3 39.361 78.722 0.412 3.34 8 3.6 0.1
198 10 2 2 39.4 78.801 0.412 3.33 8 1.7 0.0
199 12 0 0 39.545 79.09 0.413 3.31 2 138.8 29.1
200 4 7 0 39.576 79.151 0.414 3.31 4 24.5 1.8
201 2 2 4 39.724 79.448 0.415 3.29 8 11.4 0.8
202 3 7 1 39.767 79.533 0.415 3.28 8 70.6 29.9
203 7 3 3 39.877 79.754 0.416 3.27 8 8.3 0.4
204 12 1 0 39.974 79.948 0.417 3.26 4 17.5 0.9
205 4 0 4 39.976 79.952 0.417 3.26 4 89.1 23.6
206 7 5 2 40.046 80.093 0.418 3.25 8 66.3 26.0
207 3 5 3 40.181 80.362 0.419 3.23 8 59.1 20.6
208 8 2 3 40.191 80.382 0.419 3.23 8 21.7 2.8
209 4 1 4 40.404 80.808 0.421 3.21 8 35.9 7.5
210 10 4 1 40.531 81.062 0.422 3.19 8 46.9 12.8
211 3 2 4 40.542 81.085 0.422 3.19 8 17.7 1.8
212 6 4 3 40.745 81.491 0.424 3.17 8 6.1 0.2
213 7 6 1 40.746 81.493 0.424 3.17 8 0.8 0.0
214 5 6 2 40.827 81.654 0.424 3.16 8 2.7 0.0
215 4 7 1 40.911 81.822 0.425 3.15 8 15.2 1.3
216 11 3 1 40.969 81.938 0.426 3.14 8 19.3 2.1
217 11 0 2 41.124 82.247 0.427 3.12 4 63.6 11.5
218 12 2 0 41.255 82.51 0.428 3.11 4 40.7 4.7
219 9 5 1 41.271 82.543 0.428 3.11 8 1.5 0.0
220 12 1 1 41.306 82.613 0.428 3.11 8 34.0 6.5
221 4 5 3 41.322 82.645 0.429 3.1 8 5.9 0.2
222 1 3 4 41.37 82.74 0.429 3.1 8 13.3 1.0
223 9 4 2 41.426 82.851 0.429 3.09 8 9.5 0.5
224 5 0 4 41.444 82.888 0.43 3.09 4 35.9 3.6
225 10 3 2 41.537 83.075 0.43 3.08 8 10.0 0.6
226 11 1 2 41.549 83.098 0.431 3.08 8 58.9 19.5
227 4 2 4 41.682 83.364 0.432 3.07 8 2.0 0.0
228 9 1 3 41.682 83.365 0.432 3.07 8 26.2 3.8
229 2 3 4 41.857 83.715 0.433 3.05 8 30.5 5.2
230 8 6 0 41.858 83.717 0.433 3.05 4 3.0 0.0
231 5 1 4 41.869 83.738 0.433 3.05 8 5.2 0.2
232 8 3 3 42.319 84.639 0.437 3.01 8 2.9 0.0
233 5 7 1 42.373 84.745 0.437 3.01 8 18.7 1.9
234 1 7 2 42.452 84.905 0.438 3.0 8 18.7 1.9
235 8 5 2 42.487 84.974 0.438 3.0 8 3.8 0.1
236 12 2 1 42.58 85.159 0.439 2.99 8 1.4 0.0
237 6 6 2 42.613 85.226 0.439 2.98 8 32.2 5.7
238 3 3 4 42.668 85.335 0.44 2.98 8 16.6 1.5
239 5 5 3 42.782 85.564 0.441 2.97 8 29.9 4.8
240 11 2 2 42.821 85.642 0.441 2.97 8 29.0 4.6
241 6 7 0 42.832 85.663 0.441 2.97 4 11.5 0.4
242 7 4 3 42.856 85.711 0.441 2.97 8 8.8 0.4
243 2 7 2 42.938 85.876 0.442 2.96 8 11.7 0.7
244 9 2 3 42.954 85.908 0.442 2.96 8 40.3 8.8
245 10 5 0 43.028 86.056 0.443 2.95 4 120.9 39.3
246 5 2 4 43.14 86.279 0.444 2.94 8 57.6 17.8
247 8 6 1 43.18 86.36 0.444 2.94 8 4.8 0.1
248 6 0 4 43.226 86.453 0.445 2.94 4 146.5 57.5
249 0 8 0 43.356 86.711 0.446 2.93 2 26.9 1.0
250 12 3 0 43.374 86.749 0.446 2.93 4 8.4 0.2
251 1 6 3 43.554 87.108 0.447 2.91 8 11.9 0.8
252 6 1 4 43.649 87.298 0.448 2.91 8 30.9 5.1
253 3 7 2 43.746 87.492 0.449 2.9 8 35.9 6.8
254 4 3 4 43.799 87.598 0.449 2.9 8 14.5 1.1
255 11 4 1 43.936 87.872 0.45 2.89 8 49.8 13.1
256 2 8 0 44.001 88.003 0.451 2.88 4 19.8 1.0
257 2 6 3 44.038 88.077 0.451 2.88 8 11.1 0.6
258 6 7 1 44.15 88.301 0.452 2.88 8 81.0 34.4
259 0 4 4 44.172 88.344 0.452 2.87 4 81.6 17.5
260 1 4 4 44.333 88.667 0.454 2.86 8 10.7 0.6
261 10 5 1 44.346 88.693 0.454 2.86 8 30.5 4.9
262 10 4 2 44.499 88.999 0.455 2.85 8 19.3 1.9
263 6 5 3 44.558 89.117 0.455 2.85 8 40.0 8.3
264 12 3 1 44.692 89.384 0.457 2.84 8 43.7 9.9
265 7 6 2 44.712 89.425 0.457 2.84 8 74.1 28.5
266 10 1 3 44.754 89.509 0.457 2.84 8 34.0 6.0
267 2 4 4 44.817 89.634 0.458 2.84 8 44.3 10.1
268 1 8 1 44.835 89.669 0.458 2.84 8 12.7 0.8
269 3 6 3 44.845 89.69 0.458 2.84 8 2.2 0.0
270 12 0 2 44.845 89.69 0.458 2.84 4 17.0 0.7
271 4 7 2 44.875 89.75 0.458 2.83 8 8.2 0.4
272 6 2 4 44.915 89.83 0.458 2.83 8 30.0 4.6
273 11 3 2 44.933 89.866 0.458 2.83 8 15.3 1.2
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 1 0 7.844 15.687 5.64426 275.0 16.3 16.5 5.6
2 0 1 1 10.032 20.065 4.42172 198.0 11.7 11.8 5.6
3 1 1 1 10.492 20.985 4.22989 81.8 4.8 4.9 5.6
4 4 1 0 13.234 26.467 3.36483 1104.5 65.5 65.8 5.6
5 1 2 1 13.595 27.191 3.2769 34.0 2.0 2.0 5.6
6 2 2 1 14.619 29.238 3.05196 437.4 25.9 26.0 5.6
7 4 2 0 15.839 31.679 2.82213 105.0 6.2 6.2 5.6
8 3 2 1 16.193 32.387 2.76203 1686.9 100.0 100.0 5.6
9 0 3 1 17.384 34.767 2.5782 74.3 4.4 4.4 5.7
10 1 3 1 17.664 35.329 2.53849 448.0 26.6 26.5 5.7
11 1 0 2 17.927 35.854 2.50247 281.1 16.7 16.6 5.7
12 4 2 1 18.193 36.386 2.46712 263.2 15.6 15.5 5.7
13 5 1 1 18.504 37.008 2.42708 135.0 8.0 8.0 5.7
14 6 0 0 18.563 37.125 2.41967 32.6 1.9 1.9 5.7
15 2 0 2 18.737 37.475 2.39789 245.7 14.6 14.5 5.7
16 4 3 0 19.49 38.98 2.30868 137.5 8.1 8.1 5.7
17 0 4 0 20.076 40.151 2.244 29.9 1.8 1.8 5.7
18 0 2 2 20.39 40.78 2.21086 76.9 4.6 4.5 5.7
19 5 2 1 20.515 41.03 2.19797 34.3 2.0 2.0 5.7
20 3 1 2 20.673 41.345 2.18191 176.3 10.5 10.4 5.7
21 6 2 0 21.202 42.404 2.12984 35.0 2.1 2.1 5.7
22 2 2 2 21.359 42.718 2.11494 23.5 1.4 1.4 5.7
23 4 3 1 21.498 42.996 2.10188 134.0 7.9 7.9 5.7
24 6 2 1 23.088 46.177 1.96425 41.9 2.5 2.5 5.7
25 5 3 1 23.55 47.1 1.92789 50.0 3.0 2.9 5.7
26 1 3 2 23.658 47.316 1.91957 55.7 3.3 3.3 5.7
27 5 0 2 23.758 47.516 1.91197 249.0 14.8 14.5 5.7
28 3 4 1 24.055 48.11 1.88974 103.3 6.1 6.0 5.7
29 7 1 1 24.219 48.438 1.87771 81.9 4.9 4.8 5.7
30 8 0 0 25.116 50.232 1.81475 37.5 2.2 2.2 5.8
31 8 1 0 25.661 51.322 1.77876 18.0 1.1 1.0 5.8
32 6 3 1 25.886 51.772 1.76435 260.2 15.4 15.1 5.8
33 2 5 0 26.232 52.464 1.7427 85.2 5.0 4.9 5.8
34 6 1 2 26.611 53.221 1.71967 19.6 1.2 1.1 5.8
35 1 5 1 27.268 54.536 1.68127 65.8 3.9 3.8 5.8
36 1 4 2 27.455 54.911 1.67068 81.0 4.8 4.7 5.8
37 6 4 0 27.915 55.829 1.64535 181.4 10.8 10.5 5.8
38 6 2 2 28.16 56.321 1.63215 55.9 3.3 3.2 5.8
39 2 1 3 28.349 56.697 1.62221 18.1 1.1 1.0 5.8
40 7 3 1 28.467 56.934 1.61602 183.1 10.9 10.6 5.8
41 4 5 0 28.6 57.2 1.60913 199.8 11.8 11.5 5.8
42 7 0 2 28.649 57.298 1.60661 159.9 9.5 9.2 5.8
43 8 2 1 28.835 57.67 1.59714 91.5 5.4 5.3 5.8
44 1 2 3 29.275 58.549 1.57523 127.0 7.5 7.3 5.8
45 8 3 0 29.764 59.528 1.55164 21.5 1.3 1.2 5.8
46 2 2 3 29.838 59.677 1.54813 116.8 6.9 6.7 5.8
47 4 4 2 30.317 60.633 1.52598 18.4 1.1 1.1 5.8
48 3 2 3 30.764 61.528 1.50591 23.6 1.4 1.4 5.8
49 0 6 0 30.99 61.981 1.496 35.7 2.1 2.0 5.8
50 8 3 1 31.269 62.538 1.48399 39.5 2.3 2.3 5.8
51 0 3 3 31.508 63.015 1.47391 105.2 6.2 6.0 5.9
52 1 3 3 31.688 63.376 1.46637 59.0 3.5 3.4 5.9
53 7 4 1 31.868 63.736 1.45896 42.6 2.5 2.4 5.9
54 9 2 1 31.977 63.954 1.4545 102.8 6.1 5.9 5.9
55 4 2 3 32.034 64.067 1.45222 125.6 7.4 7.2 5.9
56 2 3 3 32.227 64.454 1.44443 19.8 1.2 1.1 5.9
57 2 5 2 32.412 64.824 1.43708 19.8 1.2 1.1 5.9
58 10 1 0 32.511 65.022 1.43317 32.7 1.9 1.9 5.9
59 3 5 2 33.297 66.593 1.40312 270.1 16.0 15.4 5.9
60 5 2 3 33.627 67.254 1.39094 31.0 1.8 1.8 5.9
61 4 6 0 33.843 67.686 1.38312 25.7 1.5 1.5 5.9
62 9 3 1 34.283 68.565 1.3675 42.5 2.5 2.4 5.9
63 9 0 2 34.447 68.893 1.36179 17.1 1.0 1.0 5.9
64 4 5 2 34.516 69.032 1.35939 59.2 3.5 3.4 5.9
65 9 1 2 34.898 69.795 1.34638 79.7 4.7 4.5 5.9
66 10 2 1 35.301 70.603 1.33295 69.8 4.1 3.9 5.9
67 5 3 3 35.88 71.76 1.31428 24.6 1.5 1.4 5.9
68 7 4 2 36.133 72.265 1.30632 84.3 5.0 4.7 5.9
69 2 6 2 37.364 74.729 1.26924 52.3 3.1 2.9 6.0
70 6 3 3 37.729 75.459 1.25876 64.1 3.8 3.6 6.0
71 6 5 2 37.902 75.804 1.25389 29.1 1.7 1.6 6.0
72 1 1 4 37.933 75.866 1.25303 30.7 1.8 1.7 6.0
73 2 0 4 37.997 75.993 1.25124 30.5 1.8 1.7 6.0
74 10 1 2 38.104 76.208 1.24825 49.2 2.9 2.7 6.0
75 0 7 1 38.283 76.566 1.2433 26.2 1.6 1.5 6.0
76 1 7 1 38.448 76.897 1.23877 95.5 5.7 5.3 6.0
77 5 4 3 38.942 77.883 1.22553 38.2 2.3 2.1 6.0
78 3 1 4 39.256 78.512 1.21728 26.6 1.6 1.5 6.0
79 12 0 0 39.545 79.09 1.20983 29.1 1.7 1.6 6.0
80 3 7 1 39.767 79.533 1.2042 29.9 1.8 1.7 6.0
81 4 0 4 39.976 79.952 1.19894 23.6 1.4 1.3 6.0
82 7 5 2 40.046 80.093 1.19719 26.0 1.5 1.4 6.0
83 3 5 3 40.181 80.362 1.19386 23.3 1.4 1.3 6.0
84 11 1 2 41.549 83.098 1.16135 19.5 1.2 1.1 6.1
85 10 5 0 43.028 86.056 1.12885 39.3 2.3 2.1 6.1
86 5 2 4 43.14 86.279 1.1265 17.8 1.1 1.0 6.1
87 6 0 4 43.226 86.453 1.12469 57.5 3.4 3.1 6.1
88 6 7 1 44.15 88.301 1.10586 51.9 3.1 2.8 6.2
89 7 6 2 44.712 89.425 1.09485 38.4 2.3 2.1 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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