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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ZIRSINALITE
1, f-lovozerite, DN
Na(6)CaZrSi(6)O(18)
Rhombohedral * R3(-)c Z = 2
R =0.087 NR =319
12 .5 .1993
Ref.Str.:
Pudovkina Z.V., Chernitsova N.M., Voronkov A.A., Pyatenko Iu.A. (1980)
* Dokl. Akad. Nauk SSSR, 250, 865-867
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.593 alpha = 58.13
b = 10.593 beta = 58.13
c = 10.593 gamma = 58.13
Unit cell volume (cub. angs.) = 804.48
Molar volume ( cub.cm/mol.) = 242.28
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 0.93 Zr = 1.00
2 0.3767 0.3767 0.3767 1.16 Ca = 0.5 , Ca = 0.0
3 0.1307 0.1346 0.5853 0.93 Si = 1.00
4 0.5 0.0 0.0 1.22 Na = 1.00
5 0.743 0.757 0.25 1.15 Na = 1.00
6 0.255 0.296 0.938 1.31 O = 1.00
7 0.95 0.234 0.968 1.33 O = 1.00
8 0.013 0.487 0.25 3.31 O = 1.00
9 0.518 0.982 0.25 1.24 O = 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 0.3767 0.3767 0.3767
3 3 0.1307 0.1346 0.5853
4 4 0.5 0.0 0.0
5 5 0.743 0.757 0.25
6 6 0.255 0.296 0.938
7 7 0.95 0.234 0.968
8 8 0.013 0.487 0.25
9 9 0.518 0.982 0.25
10 2 0.6233 0.6233 0.6233
11 3 0.8693 0.8654 0.4147
12 5 0.257 0.243 0.75
13 6 0.745 0.704 0.062
14 7 0.05 0.766 0.032
15 8 0.987 0.513 0.75
16 9 0.482 0.018 0.75
17 3 0.1346 0.5853 0.1307
18 3 0.5853 0.1307 0.1346
19 4 0.0 0.0 0.5
20 4 0.0 0.5 0.0
21 5 0.757 0.25 0.743
22 5 0.25 0.743 0.757
23 6 0.296 0.938 0.255
24 6 0.938 0.255 0.296
25 7 0.234 0.968 0.95
26 7 0.968 0.95 0.234
27 8 0.487 0.25 0.013
28 8 0.25 0.013 0.487
29 9 0.982 0.25 0.518
30 9 0.25 0.518 0.982
31 3 0.8654 0.4147 0.8693
32 3 0.4147 0.8693 0.8654
33 5 0.243 0.75 0.257
34 5 0.75 0.257 0.243
35 6 0.704 0.062 0.745
36 6 0.062 0.745 0.704
37 7 0.766 0.032 0.05
38 7 0.032 0.05 0.766
39 8 0.513 0.75 0.987
40 8 0.75 0.987 0.513
41 9 0.018 0.75 0.482
42 9 0.75 0.482 0.018
43 1 0.5 0.5 0.5
44 2 0.8767 0.8767 0.8767
45 3 0.6346 0.6307 0.0853
46 4 0.5 0.0 0.5
47 6 0.796 0.755 0.438
48 7 0.734 0.45 0.468
49 2 0.1233 0.1233 0.1233
50 3 0.3654 0.3693 0.9147
51 6 0.204 0.245 0.562
52 7 0.266 0.55 0.532
53 3 0.0853 0.6346 0.6307
54 3 0.6307 0.0853 0.6346
55 4 0.5 0.5 0.0
56 4 0.0 0.5 0.5
57 6 0.438 0.796 0.755
58 6 0.755 0.438 0.796
59 7 0.468 0.734 0.45
60 7 0.45 0.468 0.734
61 3 0.9147 0.3654 0.3693
62 3 0.3693 0.9147 0.3654
63 6 0.562 0.204 0.245
64 6 0.245 0.562 0.204
65 7 0.532 0.266 0.55
66 7 0.55 0.532 0.266
X-ray density (g/cm cub.) = 3.0
MU (1/cm) = 153.575 Mass attenuation coefficient (cm**2/g) = 51.276
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr 2.616 6
2.1108 7
2.1108 7
2.1108 7
2.1108 7
2.1108 7
2.1108 7
2 Ca ,Ca 2.88 6
2.271 6
2.516 7
2.271 6
2.271 6
2.516 7
2.516 7
3 Si 2.1 4
1.6274 8
1.648 9
1.6201 7
1.5758 6
4 Na 2.808 6
2.6547 9
2.6547 9
2.4205 6
2.6516 8
2.4205 6
2.6516 8
5 Na 2.808 6
2.7789 8
2.3157 9
2.3249 6
2.5925 7
2.3249 6
2.5925 7
6 O 3.264 3
2.7012 8
2.5981 9
2.7128 7
7 O 3.264 7
2.6984 8
2.8349 7
2.8349 7
3.1282 7
3.1282 7
2.4653 9
2.7128 6
8 O 3.264 6
2.6984 7
2.7012 6
2.6134 9
2.6134 9
2.6984 7
2.7012 6
9 O 3.264 6
2.5981 6
2.6134 8
2.6134 8
2.4653 7
2.4653 7
2.5981 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 1 0 0 5.235 10.47 0.059 237.25 6 0.0 0.0
2 1 1 0 5.992 11.984 0.068 180.56 6 53.1 471.8
3 2 1 1 8.369 16.738 0.094 91.47 6 80.2 545.1
4 1 -1 0 8.609 17.217 0.097 86.33 6 11.2 10.1
5 1 2 2 9.788 19.576 0.11 66.28 6 0.0 0.0
6 2 1 0 9.994 19.989 0.113 63.48 12 13.4 21.2
7 1 -1 1 10.096 20.192 0.114 62.17 6 0.0 0.0
8 2 2 2 10.118 20.236 0.114 61.89 2 2.9 0.2
9 2 0 0 10.515 21.03 0.118 57.15 6 99.3 522.6
10 2 2 0 12.051 24.102 0.136 43.0 6 57.4 131.3
11 3 2 2 12.852 25.703 0.144 37.56 6 0.0 0.0
12 3 1 1 13.091 26.183 0.147 36.13 6 0.0 0.0
13 2 -1 0 13.327 26.654 0.15 34.79 12 8.8 5.0
14 3 2 1 13.344 26.688 0.15 34.7 12 93.2 558.8
15 2 -1 1 13.652 27.304 0.153 33.06 12 127.5 996.8
16 2 3 3 14.458 28.916 0.162 29.26 6 0.6 0.0
17 3 1 0 14.886 29.772 0.167 27.49 12 67.5 232.5
18 -2 1 1 15.026 30.052 0.168 26.95 6 23.7 14.0
19 1 3 3 15.551 31.103 0.174 25.03 6 0.0 0.0
20 3 2 0 15.753 31.507 0.176 24.34 12 27.9 35.2
21 -1 2 2 15.887 31.773 0.178 23.9 6 0.0 0.0
22 3 0 0 15.887 31.773 0.178 23.9 6 0.0 0.0
23 4 2 2 16.924 33.847 0.189 20.84 6 254.0 1246.5
24 2 -2 0 17.419 34.839 0.194 19.57 6 247.4 1110.5
25 4 3 2 17.641 35.283 0.197 19.04 12 8.9 2.8
26 4 3 3 17.775 35.55 0.198 18.73 6 27.8 13.5
27 4 2 1 17.882 35.764 0.199 18.48 12 11.6 4.6
28 3 -1 1 18.179 36.358 0.203 17.83 12 9.0 2.7
29 1 -2 2 18.238 36.476 0.203 17.7 12 6.3 1.3
30 3 3 0 18.25 36.501 0.203 17.67 6 15.1 3.7
31 4 1 1 18.25 36.501 0.203 17.67 6 37.0 22.4
32 3 -1 0 18.484 36.968 0.206 17.19 12 5.6 1.0
33 4 3 1 19.107 38.213 0.212 15.98 12 26.4 20.7
34 3 2 -1 19.443 38.886 0.216 15.37 12 17.6 8.8
35 3 4 4 19.479 38.958 0.216 15.31 6 0.0 0.0
36 2 4 4 19.877 39.754 0.221 14.64 6 114.3 177.2
37 4 1 0 20.137 40.274 0.223 14.22 12 8.3 1.8
38 -3 1 1 20.299 40.597 0.225 13.97 6 0.0 0.0
39 4 2 0 20.31 40.621 0.225 13.95 12 51.9 69.7
40 2 -2 2 20.524 41.048 0.228 13.63 6 6.8 0.6
41 4 4 4 20.57 41.14 0.228 13.56 2 100.0 41.9
42 4 0 0 21.406 42.812 0.237 12.4 6 144.0 238.4
43 5 3 3 21.439 42.879 0.237 12.36 6 0.0 0.0
44 1 4 4 21.695 43.39 0.24 12.03 6 0.0 0.0
45 5 2 2 21.695 43.39 0.24 12.03 6 0.0 0.0
46 5 3 2 21.808 43.615 0.241 11.9 12 80.6 143.4
47 4 3 0 21.898 43.796 0.242 11.79 12 1.2 0.0
48 -1 3 3 22.049 44.098 0.244 11.6 6 0.0 0.0
49 3 -2 0 22.199 44.398 0.245 11.43 12 2.5 0.1
50 3 -2 1 22.409 44.818 0.247 11.19 12 1.5 0.0
51 5 4 3 22.452 44.903 0.248 11.14 12 1.4 0.0
52 5 2 1 22.943 45.886 0.253 10.61 12 64.8 82.5
53 5 4 4 22.974 45.948 0.253 10.58 6 0.0 0.0
54 4 -1 1 23.233 46.467 0.256 10.31 12 29.4 16.5
55 5 4 2 23.265 46.529 0.256 10.28 12 3.9 0.3
56 -3 2 1 23.33 46.66 0.257 10.21 12 29.7 16.7
57 5 3 1 23.504 47.009 0.259 10.04 12 12.2 2.8
58 5 1 1 23.695 47.39 0.261 9.86 6 0.0 0.0
59 4 2 -1 23.837 47.674 0.262 9.73 12 21.3 8.2
60 3 -2 2 23.932 47.863 0.263 9.64 12 12.8 2.9
61 4 -1 0 23.932 47.863 0.263 9.64 12 16.2 4.7
62 4 4 0 24.681 49.361 0.271 8.99 6 296.3 731.6
63 3 5 5 24.71 49.421 0.271 8.96 6 0.0 0.0
64 4 5 5 24.766 49.533 0.272 8.92 6 59.3 29.1
65 5 4 1 25.313 50.627 0.278 8.49 12 47.8 36.0
66 5 2 0 25.394 50.788 0.278 8.42 12 6.8 0.7
67 -3 2 2 25.664 51.327 0.281 8.22 6 0.0 0.0
68 4 3 -1 25.673 51.347 0.281 8.22 12 3.3 0.2
69 5 1 0 25.673 51.347 0.281 8.22 12 106.4 172.4
70 -4 1 1 25.852 51.704 0.283 8.09 6 113.8 97.1
71 2 5 5 25.89 51.78 0.283 8.06 6 31.6 7.5
72 6 3 3 25.89 51.78 0.283 8.06 6 51.0 19.4
73 5 3 0 26.332 52.665 0.288 7.76 12 7.0 0.7
74 6 4 3 26.361 52.722 0.288 7.74 12 7.7 0.9
75 6 4 4 26.414 52.828 0.289 7.7 6 38.1 10.4
76 -2 3 3 26.595 53.191 0.291 7.58 6 44.1 13.7
77 6 3 2 26.624 53.247 0.291 7.56 12 5.9 0.5
78 3 -3 0 26.683 53.365 0.291 7.53 6 95.6 63.8
79 6 2 2 26.937 53.874 0.294 7.37 6 91.4 57.0
80 5 0 0 27.144 54.287 0.296 7.24 6 0.0 0.0
81 4 -2 1 27.23 54.459 0.297 7.19 12 17.6 4.1
82 1 -3 3 27.273 54.545 0.297 7.16 12 12.2 2.0
83 4 -2 0 27.453 54.906 0.299 7.05 12 80.4 84.6
84 6 4 2 27.49 54.98 0.3 7.03 12 31.7 13.1
85 6 5 4 27.645 55.29 0.301 6.94 12 2.0 0.1
86 6 5 3 27.993 55.986 0.305 6.75 12 98.1 120.4
87 4 -2 2 28.167 56.334 0.306 6.65 12 15.3 2.9
88 1 5 5 28.194 56.389 0.307 6.64 6 0.0 0.0
89 5 4 0 28.404 56.807 0.309 6.53 12 16.8 3.4
90 6 2 1 28.404 56.807 0.309 6.53 12 14.8 2.6
91 6 5 5 28.449 56.897 0.309 6.51 6 20.1 2.4
92 6 3 1 28.496 56.992 0.31 6.48 12 71.3 61.2
93 -1 4 4 28.57 57.141 0.31 6.44 6 0.0 0.0
94 5 -1 1 28.695 57.39 0.312 6.38 12 21.5 5.5
95 -4 2 1 28.819 57.639 0.313 6.32 12 15.4 2.8
96 5 2 -1 28.828 57.657 0.313 6.31 12 85.0 84.6
97 2 -3 3 28.994 57.987 0.315 6.23 12 60.8 42.7
98 6 1 1 29.439 58.878 0.319 6.02 6 38.7 8.4
99 6 5 2 29.466 58.931 0.319 6.01 12 2.1 0.1
100 5 -1 0 29.684 59.367 0.321 5.91 12 19.9 4.3
101 6 4 1 29.71 59.42 0.322 5.9 12 7.0 0.5
102 4 6 6 29.956 59.912 0.324 5.79 6 192.0 198.0
103 5 3 -1 30.074 60.148 0.325 5.74 12 19.8 4.2
104 4 3 -2 30.195 60.389 0.326 5.69 12 21.7 5.0
105 5 6 6 30.344 60.688 0.328 5.63 6 0.0 0.0
106 3 6 6 30.664 61.328 0.331 5.5 6 0.0 0.0
107 7 4 4 30.664 61.328 0.331 5.5 6 0.0 0.0
108 6 2 0 30.916 61.833 0.334 5.4 12 174.6 305.2
109 7 3 3 30.942 61.884 0.334 5.39 6 0.0 0.0
110 7 4 3 30.99 61.98 0.334 5.37 12 15.5 2.4
111 -4 2 2 31.233 62.465 0.337 5.28 6 156.1 119.3
112 6 3 0 31.376 62.752 0.338 5.23 12 8.2 0.6
113 7 5 4 31.419 62.837 0.338 5.21 12 34.8 11.7
114 5 5 0 31.463 62.927 0.339 5.19 6 8.1 0.3
115 6 1 0 31.533 63.067 0.339 5.17 12 14.9 2.1
116 -5 1 1 31.729 63.458 0.341 5.1 6 0.0 0.0
117 3 -3 3 31.729 63.458 0.341 5.1 6 0.0 0.0
118 4 -3 0 31.768 63.536 0.342 5.09 12 13.0 1.6
119 7 5 5 31.796 63.593 0.342 5.08 6 0.0 0.0
120 6 6 6 31.805 63.609 0.342 5.07 2 149.9 35.2
121 4 -3 1 31.932 63.865 0.343 5.03 12 96.7 87.2
122 6 5 1 31.966 63.932 0.344 5.02 12 68.0 43.0
123 7 3 2 31.966 63.932 0.344 5.02 12 8.4 0.7
124 7 5 3 32.108 64.215 0.345 4.97 12 17.3 2.7
125 5 4 -1 32.354 64.708 0.347 4.89 12 2.9 0.1
126 7 4 2 32.379 64.758 0.348 4.88 12 4.0 0.1
127 2 6 6 32.426 64.852 0.348 4.86 6 10.6 0.5
128 5 -2 1 32.585 65.171 0.35 4.81 12 34.3 10.5
129 7 2 2 32.61 65.221 0.35 4.81 6 0.0 0.0
130 -4 3 1 32.662 65.325 0.35 4.79 12 10.1 0.9
131 6 4 0 32.887 65.775 0.352 4.72 12 67.2 39.6
132 5 -2 2 33.071 66.141 0.354 4.66 12 4.2 0.2
133 4 -3 2 33.147 66.294 0.355 4.64 12 10.2 0.9
134 5 -2 0 33.147 66.294 0.355 4.64 12 1.7 0.0
135 -2 4 4 33.193 66.387 0.355 4.63 6 33.7 4.9
136 6 0 0 33.193 66.387 0.355 4.63 6 11.1 0.5
137 7 6 4 33.213 66.425 0.356 4.62 12 7.6 0.5
138 7 6 5 33.221 66.442 0.356 4.62 12 44.3 16.8
139 7 5 2 33.828 67.657 0.361 4.45 12 107.4 95.0
140 7 3 1 34.009 68.018 0.363 4.4 12 4.3 0.2
141 7 6 3 34.238 68.475 0.365 4.34 12 39.4 12.5
142 7 6 6 34.262 68.524 0.365 4.33 6 0.0 0.0
143 7 2 1 34.28 68.561 0.366 4.32 12 29.0 6.8
144 6 2 -1 34.347 68.695 0.366 4.31 12 2.9 0.1
145 -4 3 2 34.572 69.144 0.368 4.25 12 24.9 4.9
146 5 3 -2 34.58 69.161 0.368 4.25 12 113.4 101.3
147 6 -1 1 34.58 69.161 0.368 4.25 12 2.7 0.1
148 -5 2 1 34.73 69.459 0.37 4.21 12 13.3 1.4
149 7 4 1 34.762 69.524 0.37 4.2 12 15.1 1.8
150 6 3 -1 35.134 70.268 0.374 4.11 12 14.8 1.7
151 1 6 6 35.158 70.316 0.374 4.11 6 0.0 0.0
152 4 -3 3 35.357 70.713 0.376 4.06 12 45.5 15.6
153 6 5 0 35.381 70.761 0.376 4.06 12 6.2 0.3
154 -1 5 5 35.565 71.131 0.378 4.01 6 0.0 0.0
155 7 1 1 35.565 71.131 0.378 4.01 6 0.0 0.0
156 8 4 4 35.605 71.21 0.378 4.01 6 178.7 118.6
157 5 7 7 35.629 71.258 0.378 4.0 6 0.0 0.0
158 6 -1 0 35.824 71.647 0.38 3.96 12 3.0 0.1
159 8 5 4 35.961 71.921 0.381 3.93 12 0.6 0.0
160 4 7 7 35.969 71.937 0.381 3.93 6 30.9 3.5
161 8 5 5 35.969 71.937 0.381 3.93 6 2.3 0.0
162 7 6 2 36.254 72.509 0.384 3.87 12 7.0 0.3
163 8 4 3 36.254 72.509 0.384 3.87 12 11.7 1.0
164 6 7 7 36.294 72.588 0.384 3.86 6 42.4 6.4
165 7 5 1 36.511 73.021 0.386 3.81 12 2.1 0.0
166 8 3 3 36.555 73.11 0.387 3.81 6 24.8 2.2
167 4 -4 0 36.779 73.558 0.389 3.76 6 204.3 145.5
168 6 4 -1 36.912 73.824 0.39 3.74 12 13.7 1.3
169 7 2 0 36.912 73.824 0.39 3.74 12 19.1 2.5
170 8 5 3 36.951 73.902 0.39 3.73 12 35.6 8.8
171 8 6 5 36.974 73.949 0.39 3.72 12 7.9 0.4
172 7 3 0 36.992 73.985 0.391 3.72 12 51.1 18.0
173 5 4 -2 37.057 74.114 0.391 3.71 12 0.2 0.0
174 5 -3 1 37.239 74.478 0.393 3.68 12 1.4 0.0
175 -5 2 2 37.275 74.55 0.393 3.67 6 0.0 0.0
176 1 -4 4 37.275 74.55 0.393 3.67 12 4.2 0.1
177 3 7 7 37.301 74.603 0.393 3.66 6 0.0 0.0
178 8 6 4 37.309 74.618 0.393 3.66 12 100.2 68.2
179 -4 3 3 37.428 74.856 0.395 3.64 6 34.5 4.0
180 5 -3 0 37.428 74.856 0.395 3.64 12 36.4 9.0
181 8 6 6 37.63 75.26 0.396 3.61 6 19.4 1.3
182 7 1 0 37.82 75.641 0.398 3.57 12 41.9 11.7
183 8 3 2 37.844 75.688 0.398 3.57 12 11.8 0.9
184 8 4 2 37.888 75.775 0.399 3.56 12 4.5 0.1
185 -6 1 1 38.037 76.074 0.4 3.54 6 34.1 3.8
186 5 -3 2 38.037 76.074 0.4 3.54 12 6.5 0.3
187 7 4 0 38.06 76.12 0.4 3.53 12 2.9 0.1
188 -3 4 4 38.491 76.983 0.404 3.47 6 0.0 0.0
189 6 -2 1 38.491 76.983 0.404 3.47 12 1.3 0.0
190 -5 3 1 38.599 77.198 0.405 3.45 12 16.7 1.8
191 6 -2 2 38.607 77.213 0.405 3.45 12 8.3 0.4
192 8 6 3 38.625 77.25 0.405 3.45 12 5.5 0.2
193 2 -4 4 38.75 77.5 0.406 3.43 12 77.9 38.6
194 6 6 0 38.781 77.562 0.407 3.42 6 26.9 2.3
195 8 2 2 38.781 77.562 0.407 3.42 6 24.5 1.9
196 8 5 2 38.911 77.822 0.408 3.4 12 2.4 0.0
197 8 7 5 38.95 77.899 0.408 3.4 12 31.4 6.2
198 7 6 1 39.205 78.409 0.41 3.36 12 24.5 3.7
199 8 7 6 39.258 78.517 0.411 3.35 12 6.9 0.3
200 6 -2 0 39.352 78.705 0.412 3.34 12 31.2 6.0
201 2 7 7 39.592 79.184 0.414 3.31 6 73.9 16.8
202 8 7 4 39.615 79.229 0.414 3.3 12 4.5 0.1
203 6 5 -1 39.632 79.265 0.414 3.3 12 84.2 43.4
204 6 3 -2 39.696 79.392 0.415 3.29 12 8.9 0.5
205 7 0 0 39.696 79.392 0.415 3.29 6 0.0 0.0
206 5 -3 3 39.802 79.605 0.416 3.28 12 4.5 0.1
207 7 5 0 40.089 80.178 0.418 3.24 12 16.7 1.7
208 8 3 1 40.089 80.178 0.418 3.24 12 45.4 12.4
209 -2 5 5 40.444 80.887 0.421 3.2 6 58.3 10.1
210 7 2 -1 40.444 80.887 0.421 3.2 12 29.6 5.2
211 8 4 1 40.466 80.933 0.421 3.2 12 0.1 0.0
212 8 7 7 40.535 81.07 0.422 3.19 6 49.4 7.2
213 8 2 1 40.679 81.357 0.423 3.17 12 14.6 1.3
214 -5 3 2 40.727 81.453 0.424 3.17 12 35.9 7.6
215 7 3 -1 40.855 81.711 0.425 3.15 12 2.5 0.0
216 8 6 2 40.893 81.787 0.425 3.15 12 132.8 103.0
217 9 5 5 40.916 81.833 0.425 3.15 6 0.0 0.0
218 7 -1 1 40.997 81.993 0.426 3.14 12 3.5 0.1
219 -6 2 1 41.173 82.346 0.427 3.12 12 10.6 0.7
220 3 -4 4 41.173 82.346 0.427 3.12 12 11.9 0.8
221 9 4 4 41.234 82.468 0.428 3.11 6 0.0 0.0
222 8 7 3 41.241 82.483 0.428 3.11 12 40.7 9.6
223 9 5 4 41.241 82.483 0.428 3.11 12 5.6 0.2
224 9 6 5 41.554 83.107 0.431 3.08 12 7.4 0.3
225 6 4 -2 41.739 83.479 0.432 3.06 12 143.2 116.5
226 8 5 1 41.805 83.61 0.433 3.06 12 3.5 0.1
227 6 8 8 41.83 83.661 0.433 3.05 6 29.3 2.4
228 5 8 8 41.858 83.716 0.433 3.05 6 0.0 0.0
229 9 6 6 41.858 83.716 0.433 3.05 6 0.0 0.0
230 9 4 3 42.187 84.373 0.436 3.02 12 28.7 4.6
231 9 6 4 42.209 84.419 0.436 3.02 12 13.4 1.0
232 7 4 -1 42.227 84.453 0.436 3.02 12 26.2 3.8
233 8 1 1 42.227 84.453 0.436 3.02 6 70.6 13.9
234 5 -4 0 42.5 85.0 0.439 2.99 12 15.3 1.3
235 5 4 -3 42.508 85.015 0.439 2.99 12 28.9 4.6
236 7 -1 0 42.508 85.015 0.439 2.99 12 36.2 7.3
237 9 5 3 42.525 85.051 0.439 2.99 12 13.8 1.1
238 5 -4 1 42.648 85.296 0.44 2.98 12 2.5 0.0
239 7 8 8 42.761 85.522 0.441 2.97 6 0.0 0.0
240 1 7 7 42.806 85.612 0.441 2.97 6 0.0 0.0
241 9 3 3 42.806 85.612 0.441 2.97 6 0.0 0.0
242 4 8 8 42.844 85.687 0.441 2.97 6 57.1 9.0
243 7 6 0 43.051 86.103 0.443 2.95 12 12.0 0.8
244 9 7 6 43.119 86.238 0.444 2.94 12 82.0 36.7
245 9 7 5 43.147 86.293 0.444 2.94 12 4.3 0.1
246 6 -3 1 43.239 86.478 0.445 2.94 12 62.0 20.9
247 -1 6 6 43.261 86.523 0.445 2.93 6 0.0 0.0
248 8 3 0 43.261 86.523 0.445 2.93 12 10.7 0.6
249 -5 4 1 43.309 86.618 0.445 2.93 12 4.8 0.1
250 8 2 0 43.514 87.028 0.447 2.92 12 72.0 28.0
251 6 -3 2 43.682 87.363 0.448 2.91 12 19.0 1.9
252 5 -4 2 43.752 87.503 0.449 2.9 12 12.3 0.8
253 6 -3 0 43.752 87.503 0.449 2.9 12 14.5 1.1
254 -5 3 3 43.787 87.573 0.449 2.9 6 0.0 0.0
255 8 7 2 43.812 87.624 0.449 2.9 12 14.5 1.1
256 9 6 3 43.819 87.639 0.449 2.9 12 71.0 27.1
257 -6 2 2 43.934 87.868 0.45 2.89 6 9.8 0.3
258 8 4 0 43.964 87.928 0.451 2.89 12 32.7 5.7
259 9 7 7 44.047 88.094 0.451 2.88 6 0.0 0.0
260 8 6 1 44.092 88.183 0.452 2.88 12 1.3 0.0
261 9 4 2 44.092 88.183 0.452 2.88 12 10.8 0.6
262 9 7 4 44.129 88.259 0.452 2.88 12 15.6 1.3
263 9 3 2 44.379 88.758 0.454 2.86 12 88.4 41.4
264 4 -4 4 44.524 89.047 0.455 2.85 6 58.7 9.1
265 7 5 -1 44.546 89.092 0.455 2.85 12 21.1 2.4
266 8 8 8 44.644 89.288 0.456 2.85 2 164.8 23.9
267 6 5 -2 44.721 89.442 0.457 2.84 12 3.5 0.1
268 8 1 0 44.721 89.442 0.457 2.84 12 2.8 0.0
269 9 5 2 44.759 89.517 0.457 2.84 12 57.4 17.4
270 3 8 8 44.781 89.562 0.457 2.84 6 0.0 0.0
271 7 -2 2 44.861 89.722 0.458 2.84 12 4.7 0.1
272 -7 1 1 44.966 89.931 0.459 2.83 6 0.0 0.0
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 1 1 0 5.992 11.984 7.37884 471.8 37.8 38.5 5.6
2 2 1 1 8.369 16.738 5.29223 545.1 43.7 44.3 5.6
3 2 1 0 9.994 19.989 4.43833 21.2 1.7 1.7 5.6
4 2 0 0 10.515 21.03 4.22097 522.6 41.9 42.4 5.6
5 2 2 0 12.051 24.102 3.68942 131.3 10.5 10.6 5.6
6 3 2 1 13.344 26.688 3.3375 563.8 45.2 45.5 5.6
7 2 -1 1 13.652 27.304 3.26358 996.8 80.0 80.4 5.6
8 3 1 0 14.886 29.772 2.99844 232.5 18.7 18.7 5.6
9 -2 1 1 15.026 30.052 2.9711 14.0 1.1 1.1 5.6
10 3 2 0 15.753 31.507 2.83718 35.2 2.8 2.8 5.6
11 4 2 2 16.924 33.847 2.64611 1246.5 100.0 100.0 5.7
12 2 -2 0 17.419 34.839 2.57305 1110.5 89.1 89.0 5.7
13 4 3 3 17.775 35.55 2.5232 13.5 1.1 1.1 5.7
14 4 1 1 18.25 36.501 2.45961 27.5 2.2 2.2 5.7
15 4 3 1 19.107 38.213 2.35324 20.7 1.7 1.7 5.7
16 2 4 4 19.877 39.754 2.26553 177.2 14.2 14.1 5.7
17 4 2 0 20.31 40.621 2.21916 69.7 5.6 5.6 5.7
18 4 4 4 20.57 41.14 2.19234 41.9 3.4 3.3 5.7
19 4 0 0 21.406 42.812 2.11049 238.4 19.1 19.0 5.7
20 5 3 2 21.808 43.615 2.07349 143.4 11.5 11.4 5.7
21 5 2 1 22.943 45.886 1.97603 82.5 6.6 6.5 5.7
22 4 -1 1 23.233 46.467 1.95265 16.5 1.3 1.3 5.7
23 -3 2 1 23.33 46.66 1.94504 16.7 1.3 1.3 5.7
24 4 4 0 24.681 49.361 1.84471 731.6 58.7 57.8 5.7
25 4 5 5 24.766 49.533 1.83873 29.1 2.3 2.3 5.7
26 5 4 1 25.313 50.627 1.80154 36.0 2.9 2.8 5.8
27 5 1 0 25.673 51.347 1.77796 172.4 13.8 13.6 5.8
28 -4 1 1 25.852 51.704 1.76651 97.1 7.8 7.6 5.8
29 6 3 3 25.89 51.78 1.76408 26.9 2.2 2.1 5.8
30 -2 3 3 26.595 53.191 1.72058 14.2 1.1 1.1 5.8
31 3 -3 0 26.683 53.365 1.71537 63.8 5.1 5.0 5.8
32 6 2 2 26.937 53.874 1.70035 57.0 4.6 4.5 5.8
33 4 -2 0 27.453 54.906 1.67081 84.6 6.8 6.6 5.8
34 6 4 2 27.49 54.98 1.66875 13.1 1.0 1.0 5.8
35 6 5 3 27.993 55.986 1.64111 120.4 9.7 9.4 5.8
36 6 3 1 28.496 56.992 1.61451 61.2 4.9 4.8 5.8
37 5 2 -1 28.828 57.657 1.59747 87.3 7.0 6.8 5.8
38 2 -3 3 28.994 57.987 1.58915 42.7 3.4 3.3 5.8
39 4 6 6 29.956 59.912 1.54262 198.0 15.9 15.4 5.8
40 6 2 0 30.916 61.833 1.49922 305.2 24.5 23.7 5.8
41 -4 2 2 31.233 62.465 1.48555 119.3 9.6 9.3 5.8
42 6 6 6 31.805 63.609 1.46156 35.2 2.8 2.7 5.9
43 4 -3 1 31.932 63.865 1.45633 87.2 7.0 6.7 5.9
44 6 5 1 31.966 63.932 1.45496 43.7 3.5 3.4 5.9
45 6 4 0 32.887 65.775 1.41859 39.6 3.2 3.1 5.9
46 7 6 5 33.221 66.442 1.40596 22.7 1.8 1.8 5.9
47 7 5 2 33.828 67.657 1.38364 95.0 7.6 7.3 5.9
48 7 6 3 34.238 68.475 1.36908 12.5 1.0 1.0 5.9
49 5 3 -2 34.58 69.161 1.35718 106.3 8.5 8.2 5.9
50 4 -3 3 35.357 70.713 1.33114 15.9 1.3 1.2 5.9
51 8 4 4 35.605 71.21 1.32306 118.6 9.5 9.1 5.9
52 4 -4 0 36.779 73.558 1.28652 145.5 11.7 11.1 6.0
53 7 3 0 36.992 73.985 1.28015 18.0 1.4 1.4 6.0
54 8 6 4 37.309 74.618 1.27085 68.2 5.5 5.2 6.0
55 5 -3 0 37.428 74.856 1.2674 13.0 1.0 1.0 6.0
56 7 1 0 37.82 75.641 1.25619 12.6 1.0 1.0 6.0
57 2 -4 4 38.75 77.5 1.23063 38.6 3.1 2.9 6.0
58 2 7 7 39.592 79.184 1.20864 16.9 1.4 1.3 6.0
59 6 5 -1 39.632 79.265 1.2076 43.4 3.5 3.3 6.0
60 8 3 1 40.089 80.178 1.19613 14.1 1.1 1.1 6.0
61 -2 5 5 40.444 80.887 1.18742 15.3 1.2 1.1 6.1
62 8 6 2 40.893 81.787 1.17662 103.0 8.3 7.7 6.1
63 6 4 -2 41.739 83.479 1.15702 116.5 9.3 8.7 6.1
64 8 1 1 42.227 84.453 1.14614 17.8 1.4 1.3 6.1
65 7 -1 0 42.508 85.015 1.13999 14.3 1.1 1.1 6.1
66 9 7 6 43.119 86.238 1.12694 36.8 3.0 2.7 6.1
67 6 -3 1 43.239 86.478 1.12443 21.6 1.7 1.6 6.1
68 8 2 0 43.514 87.028 1.11873 28.0 2.2 2.1 6.1
69 9 6 3 43.819 87.639 1.1125 28.2 2.3 2.1 6.2
70 9 3 2 44.379 88.758 1.10134 41.4 3.3 3.0 6.2
71 8 8 8 44.644 89.288 1.09617 23.9 1.9 1.8 6.2
72 9 5 2 44.759 89.517 1.09396 17.4 1.4 1.3 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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