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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TURKESTANITE
1, DN
Th(Ca,Na)(2)K(0.53)[Si(8)O(20)]
Tetragonal P 4/mcc Z = 2
R =0.0218 NR =850
4 .11 .1998
Ref.Str.:
Kabalov Yu.K., Sokolova E.V., Pautov L.A., Schneider J. (1998)
* Kristallogr., 43, 632-636
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.5792 alpha = 90.0
b = 7.5792 beta = 90.0
c = 14.7042 gamma = 90.0
Unit cell volume (cub. angs.) = 844.67
Molar volume ( cub.cm/mol.) = 254.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 0.85 Th = 1.00
2 0.0 0.5 0.25 0.7 Ca = 0.7 , Na = 0.25
3 0.0 0.0 0.0 1.8 K = 0.53, K = 0.0
4 0.2597 0.3358 0.1073 2.8 Si = 1.00
5 0.229 0.31 0.0 3.3 O = 1.00
6 0.454 0.261 0.1337 2.6 O = 1.00
7 0.111 0.25 0.1574 2.6 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.0 0.5 0.25
3 3 0.0 0.0 0.0
4 4 0.2597 0.3358 0.1073
5 5 0.229 0.31 0.0
6 6 0.454 0.261 0.1337
7 7 0.111 0.25 0.1574
8 2 0.5 0.0 0.25
9 4 0.6642 0.2597 0.1073
10 4 0.7403 0.6642 0.1073
11 4 0.3358 0.7403 0.1073
12 5 0.69 0.229 0.0
13 5 0.771 0.69 0.0
14 5 0.31 0.771 0.0
15 6 0.739 0.454 0.1337
16 6 0.546 0.739 0.1337
17 6 0.261 0.546 0.1337
18 7 0.75 0.111 0.1574
19 7 0.889 0.75 0.1574
20 7 0.25 0.889 0.1574
21 1 0.0 0.0 0.75
22 2 0.0 0.5 0.75
23 3 0.0 0.0 0.5
24 4 0.7403 0.3358 0.6073
25 5 0.771 0.31 0.5
26 6 0.546 0.261 0.6337
27 7 0.889 0.25 0.6574
28 2 0.5 0.0 0.75
29 4 0.3358 0.2597 0.6073
30 4 0.2597 0.6642 0.6073
31 4 0.6642 0.7403 0.6073
32 5 0.31 0.229 0.5
33 5 0.229 0.69 0.5
34 5 0.69 0.771 0.5
35 6 0.261 0.454 0.6337
36 6 0.454 0.739 0.6337
37 6 0.739 0.546 0.6337
38 7 0.25 0.111 0.6574
39 7 0.111 0.75 0.6574
40 7 0.75 0.889 0.6574
41 4 0.2597 0.3358 0.8927
42 6 0.454 0.261 0.8663
43 7 0.111 0.25 0.8426
44 4 0.6642 0.2597 0.8927
45 4 0.7403 0.6642 0.8927
46 4 0.3358 0.7403 0.8927
47 6 0.739 0.454 0.8663
48 6 0.546 0.739 0.8663
49 6 0.261 0.546 0.8663
50 7 0.75 0.111 0.8426
51 7 0.889 0.75 0.8426
52 7 0.25 0.889 0.8426
53 4 0.7403 0.3358 0.3927
54 6 0.546 0.261 0.3663
55 7 0.889 0.25 0.3426
56 4 0.3358 0.2597 0.3927
57 4 0.2597 0.6642 0.3927
58 4 0.6642 0.7403 0.3927
59 6 0.261 0.454 0.3663
60 6 0.454 0.739 0.3663
61 6 0.739 0.546 0.3663
62 7 0.25 0.111 0.3426
63 7 0.111 0.75 0.3426
64 7 0.75 0.889 0.3426
X-ray density (g/cm cub.) = 3.4
MU (1/cm) = 414.951 Mass attenuation coefficient (cm**2/g) = 122.043
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Th 2.928 8
2.4803 7
2.4803 7
2.4803 7
2.4803 7
2.4803 7
2.4803 7
2.4803 7
2.4803 7
2 Ca ,Na 2.88 8
2.4803 7
2.638 6
2.638 6
2.4803 7
2.4803 7
2.638 6
2.638 6
2.4803 7
3 K ,K 3.228 12
2.9211 5
3.1072 7
2.9211 5
2.9211 5
2.9211 5
3.1072 7
3.1072 7
3.1072 7
3.1072 7
3.1072 7
3.1072 7
3.1072 7
4 Si 2.1 4
1.6068 5
1.625 6
1.4952 7
1.6398 6
5 O 3.264 6
2.6289 6
2.5226 7
2.6689 6
2.6289 6
2.5226 7
2.6689 6
6 O 3.264 7
2.6289 5
2.6242 7
2.6689 5
2.6088 6
2.6088 6
2.5391 7
3.2344 7
7 O 3.264 8
2.5226 5
2.6242 6
3.2344 6
2.5391 6
2.9319 7
2.9319 7
3.2011 7
3.1041 7
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 5.833 11.666 0.066 190.66 4 98.7 1041.0
2 0 0 2 6.014 12.028 0.068 179.23 2 161.4 1308.2
3 1 1 0 8.264 16.527 0.093 93.87 4 127.0 848.8
4 1 0 2 8.393 16.786 0.095 90.93 8 169.6 2933.9
5 1 1 2 10.245 20.49 0.115 60.31 8 80.7 440.9
6 2 0 0 11.728 23.456 0.132 45.52 4 1.4 0.1
7 0 0 4 12.095 24.191 0.136 42.67 2 56.4 38.1
8 2 1 0 13.135 26.271 0.148 35.87 8 219.7 1941.9
9 2 0 2 13.219 26.438 0.148 35.39 8 234.8 2187.9
10 1 0 4 13.467 26.934 0.151 34.03 8 221.8 1876.8
11 2 1 1 13.486 26.973 0.151 33.93 16 82.1 512.8
12 2 1 2 14.492 28.984 0.162 29.12 16 102.4 685.2
13 1 1 4 14.72 29.44 0.165 28.16 8 93.3 275.0
14 2 1 3 16.04 32.079 0.179 23.41 16 30.4 48.5
15 2 2 0 16.706 33.411 0.187 21.44 4 214.5 553.1
16 2 0 4 16.973 33.947 0.189 20.71 8 293.4 1998.5
17 3 0 0 17.752 35.503 0.198 18.78 4 205.8 445.8
18 2 2 2 17.816 35.631 0.199 18.63 8 113.8 270.5
19 2 1 4 18.006 36.012 0.201 18.2 16 105.6 455.3
20 0 0 6 18.319 36.638 0.204 17.53 2 114.7 64.6
21 3 1 0 18.747 37.493 0.209 16.66 8 87.9 144.4
22 3 0 2 18.808 37.615 0.209 16.54 8 82.1 125.0
23 3 1 1 19.004 38.007 0.211 16.17 16 3.5 0.4
24 1 0 6 19.289 38.578 0.214 15.64 8 84.0 123.9
25 3 1 2 19.757 39.514 0.219 14.83 16 68.6 156.5
26 1 1 6 20.219 40.438 0.224 14.09 8 74.1 86.7
27 2 1 5 20.29 40.58 0.225 13.98 16 15.9 7.9
28 2 2 4 20.838 41.675 0.231 13.17 8 222.9 733.8
29 3 1 3 20.962 41.924 0.232 13.0 16 65.7 125.9
30 3 2 0 21.496 42.992 0.238 12.29 8 107.2 158.2
31 3 0 4 21.713 43.426 0.24 12.01 8 107.3 155.0
32 3 2 1 21.726 43.451 0.24 12.0 16 59.2 94.3
33 2 0 6 21.982 43.963 0.243 11.68 8 157.0 323.0
34 3 2 2 22.403 44.806 0.247 11.2 16 147.0 542.4
35 3 1 4 22.561 45.121 0.249 11.02 16 111.4 306.7
36 2 1 6 22.821 45.643 0.252 10.74 16 143.0 492.1
37 3 2 3 23.498 46.996 0.259 10.05 16 25.7 14.9
38 4 0 0 23.987 47.973 0.264 9.59 4 257.9 357.6
39 3 1 5 24.494 48.988 0.269 9.15 16 39.0 31.3
40 4 1 0 24.774 49.547 0.272 8.91 8 95.0 90.3
41 0 0 8 24.777 49.553 0.272 8.91 2 324.0 262.2
42 4 0 2 24.822 49.645 0.273 8.87 8 136.8 186.3
43 3 2 4 24.968 49.936 0.274 8.76 16 144.7 410.9
44 4 1 1 24.98 49.959 0.274 8.75 16 62.3 76.1
45 2 2 6 25.21 50.42 0.276 8.57 8 187.7 338.4
46 3 3 0 25.543 51.085 0.28 8.31 4 92.6 40.0
47 1 0 8 25.545 51.091 0.28 8.31 8 78.1 56.9
48 2 1 7 25.557 51.113 0.28 8.3 16 22.2 9.2
49 4 1 2 25.59 51.181 0.28 8.28 16 123.5 283.0
50 3 0 6 25.97 51.939 0.284 8.01 8 157.9 223.7
51 1 1 8 26.298 52.596 0.288 7.78 8 92.6 74.8
52 3 3 2 26.342 52.684 0.288 7.75 8 70.9 43.7
53 4 1 3 26.586 53.171 0.291 7.59 16 8.8 1.3
54 3 1 6 26.714 53.427 0.292 7.51 16 59.5 59.6
55 3 2 5 26.771 53.541 0.292 7.47 16 21.7 7.9
56 4 2 0 27.033 54.066 0.295 7.31 8 202.0 334.2
57 4 0 4 27.216 54.432 0.297 7.19 8 119.4 115.0
58 4 2 1 27.227 54.454 0.297 7.19 16 1.3 0.0
59 2 0 8 27.76 55.52 0.302 6.88 8 91.4 64.4
60 4 2 2 27.803 55.605 0.303 6.85 16 162.1 404.0
61 4 1 4 27.937 55.875 0.304 6.78 16 152.6 353.9
62 2 1 8 28.472 56.944 0.309 6.49 16 164.7 395.1
63 3 3 4 28.646 57.293 0.311 6.41 8 66.8 32.0
64 4 2 3 28.745 57.49 0.312 6.36 16 2.1 0.1
65 3 2 6 28.866 57.733 0.313 6.3 16 57.4 46.5
66 3 1 7 29.183 58.366 0.317 6.14 16 47.3 30.8
67 4 1 5 29.614 59.229 0.321 5.94 16 27.5 10.1
68 4 2 4 30.032 60.064 0.325 5.76 16 117.2 177.4
69 4 3 0 30.541 61.082 0.33 5.55 8 144.6 130.1
70 5 0 0 30.541 61.082 0.33 5.55 4 47.7 7.1
71 2 2 8 30.543 61.087 0.33 5.55 8 163.7 166.7
72 4 3 1 30.72 61.441 0.332 5.48 16 49.0 29.5
73 4 0 6 30.921 61.843 0.334 5.4 8 126.1 96.3
74 5 1 0 31.213 62.425 0.336 5.29 8 94.1 52.5
75 3 0 8 31.215 62.43 0.336 5.29 8 149.2 131.9
76 3 2 7 31.225 62.45 0.337 5.28 16 12.3 1.8
77 4 3 2 31.255 62.509 0.337 5.27 16 76.2 68.7
78 5 0 2 31.255 62.509 0.337 5.27 8 100.3 59.5
79 5 1 1 31.39 62.78 0.338 5.22 16 72.3 61.2
80 2 1 9 31.559 63.118 0.34 5.16 16 22.9 6.1
81 4 1 6 31.588 63.177 0.34 5.15 16 78.8 71.7
82 0 0 10 31.591 63.182 0.34 5.15 2 90.4 11.8
83 4 2 5 31.64 63.28 0.341 5.13 16 3.0 0.1
84 3 1 8 31.879 63.758 0.343 5.05 16 76.1 65.5
85 5 1 2 31.918 63.836 0.343 5.03 16 65.3 48.2
86 4 3 3 32.134 64.268 0.345 4.96 16 10.3 1.2
87 3 3 6 32.248 64.496 0.346 4.92 8 81.5 36.7
88 1 0 10 32.25 64.5 0.346 4.92 8 126.0 87.7
89 5 1 3 32.787 65.575 0.352 4.75 16 16.2 2.8
90 1 1 10 32.902 65.805 0.353 4.71 8 62.0 20.4
91 5 2 0 33.182 66.364 0.355 4.63 8 158.3 130.0
92 4 3 4 33.344 66.688 0.357 4.58 16 102.1 107.2
93 5 0 4 33.344 66.688 0.357 4.58 8 160.6 132.5
94 5 2 1 33.353 66.707 0.357 4.58 16 42.8 18.8
95 4 2 6 33.546 67.091 0.359 4.52 16 113.8 131.5
96 3 2 8 33.827 67.654 0.361 4.45 16 90.6 81.9
97 4 1 7 33.837 67.673 0.361 4.44 16 25.5 6.5
98 5 2 2 33.865 67.73 0.362 4.44 16 91.9 84.0
99 5 1 4 33.985 67.97 0.363 4.4 16 61.9 37.8
100 2 0 10 34.187 68.375 0.365 4.35 8 182.7 162.8
101 5 2 3 34.709 69.419 0.37 4.22 16 26.1 6.4
102 3 1 9 34.791 69.582 0.37 4.2 16 59.2 33.0
103 2 1 10 34.821 69.643 0.371 4.19 16 66.5 41.6
104 4 3 5 34.868 69.736 0.371 4.18 16 32.3 9.8
105 4 4 0 35.093 70.187 0.373 4.12 4 77.1 13.7
106 5 1 5 35.496 70.992 0.377 4.03 16 71.2 45.8
107 4 0 8 35.722 71.445 0.379 3.98 8 180.1 144.7
108 4 2 7 35.732 71.463 0.379 3.98 16 5.2 0.2
109 4 4 2 35.759 71.518 0.379 3.97 8 120.7 64.8
110 5 2 4 35.876 71.753 0.38 3.95 16 81.8 59.2
111 5 3 0 36.342 72.684 0.385 3.85 8 70.9 21.7
112 4 1 8 36.344 72.689 0.385 3.85 16 76.9 51.0
113 5 3 1 36.507 73.013 0.386 3.82 16 55.7 26.5
114 3 2 9 36.664 73.328 0.388 3.78 16 21.9 4.1
115 4 3 6 36.691 73.383 0.388 3.78 16 117.2 116.3
116 5 0 6 36.691 73.383 0.388 3.78 8 92.9 36.5
117 2 2 10 36.694 73.387 0.388 3.78 8 57.1 13.8
118 3 3 8 36.962 73.924 0.39 3.73 8 74.5 23.2
119 5 3 2 36.999 73.997 0.391 3.72 16 56.0 26.1
120 5 1 6 37.307 74.614 0.393 3.66 16 64.3 33.9
121 3 0 10 37.309 74.619 0.393 3.66 8 33.3 4.5
122 5 2 5 37.355 74.709 0.394 3.65 16 25.8 5.5
123 6 0 0 37.574 75.148 0.396 3.62 4 94.5 18.1
124 4 4 4 37.727 75.455 0.397 3.59 8 181.6 132.7
125 5 3 3 37.813 75.626 0.398 3.58 16 40.5 13.1
126 3 1 10 37.921 75.843 0.399 3.56 16 60.8 29.5
127 6 1 0 38.185 76.369 0.401 3.51 8 123.9 60.5
128 4 2 8 38.187 76.374 0.401 3.51 16 135.7 145.1
129 6 0 2 38.223 76.445 0.402 3.51 8 107.1 45.1
130 2 1 11 38.274 76.549 0.402 3.5 16 25.1 5.0
131 6 1 1 38.346 76.692 0.403 3.49 16 18.5 2.7
132 4 3 7 38.803 77.606 0.407 3.42 16 13.7 1.4
133 6 1 2 38.83 77.66 0.407 3.41 16 78.6 47.3
134 5 3 4 38.944 77.888 0.408 3.4 16 88.7 60.0
135 0 0 12 38.948 77.897 0.408 3.4 2 127.5 15.5
136 4 1 9 39.107 78.214 0.409 3.37 16 41.5 13.1
137 5 2 6 39.134 78.267 0.41 3.37 16 84.2 53.6
138 5 1 7 39.408 78.815 0.412 3.33 16 5.6 0.2
139 1 0 12 39.552 79.105 0.413 3.31 8 125.7 58.7
140 6 1 3 39.632 79.265 0.414 3.3 16 39.3 11.5
141 3 2 10 39.739 79.478 0.415 3.29 16 138.4 141.2
142 6 2 0 39.999 79.997 0.417 3.25 8 105.0 40.3
143 6 0 4 40.149 80.299 0.419 3.24 8 157.4 89.9
144 1 1 12 40.154 80.308 0.419 3.24 8 68.6 17.1
145 6 2 1 40.158 80.316 0.419 3.24 16 6.4 0.3
146 5 3 5 40.384 80.768 0.421 3.21 16 35.4 9.0
147 5 4 0 40.599 81.197 0.422 3.18 8 68.2 16.6
148 6 2 2 40.636 81.272 0.423 3.18 16 119.8 102.2
149 6 1 4 40.749 81.497 0.424 3.17 16 83.2 49.2
150 5 4 1 40.758 81.515 0.424 3.16 16 39.9 11.3
151 4 2 9 40.91 81.82 0.425 3.15 16 2.1 0.0
152 4 4 6 40.936 81.873 0.425 3.15 8 111.2 43.6
153 4 3 8 41.199 82.397 0.428 3.12 16 115.6 93.4
154 5 0 8 41.199 82.397 0.428 3.12 8 75.3 19.8
155 5 2 7 41.207 82.415 0.428 3.12 16 9.3 0.6
156 5 4 2 41.234 82.468 0.428 3.11 16 85.7 51.3
157 3 1 11 41.285 82.569 0.428 3.11 16 32.6 7.4
158 2 0 12 41.351 82.701 0.429 3.1 8 120.6 50.6
159 6 2 3 41.43 82.86 0.43 3.09 16 5.7 0.2
160 4 0 10 41.535 83.071 0.43 3.08 8 104.5 37.7
161 5 1 8 41.795 83.59 0.433 3.06 16 75.4 39.0
162 2 1 12 41.947 83.893 0.434 3.04 16 76.9 40.3
163 5 4 3 42.026 84.051 0.435 3.04 16 19.0 2.5
164 5 3 6 42.129 84.257 0.435 3.03 16 41.5 11.7
165 4 1 10 42.131 84.262 0.435 3.03 16 101.8 70.4
166 6 1 5 42.175 84.35 0.436 3.02 16 24.6 4.1
167 6 2 4 42.537 85.073 0.439 2.99 16 144.6 140.2
168 3 3 10 42.725 85.45 0.44 2.98 8 46.7 7.3
169 6 3 0 42.981 85.963 0.443 2.96 8 80.0 21.2
170 3 2 11 43.069 86.138 0.443 2.95 16 23.0 3.5
171 5 4 4 43.13 86.26 0.444 2.94 16 110.1 80.1
172 6 3 1 43.139 86.278 0.444 2.94 16 13.4 1.2
173 6 0 6 43.316 86.632 0.445 2.93 8 133.6 58.6
174 5 2 8 43.576 87.153 0.447 2.91 16 106.3 73.9
175 6 3 2 43.611 87.223 0.448 2.91 16 95.2 59.1
176 2 2 12 43.727 87.455 0.449 2.9 8 135.7 59.9
177 4 3 9 43.882 87.765 0.45 2.89 16 38.3 9.5
178 6 1 6 43.909 87.817 0.45 2.89 16 93.1 56.2
179 4 2 10 43.911 87.822 0.45 2.89 16 124.7 100.8
180 6 2 5 43.955 87.909 0.451 2.89 16 11.1 0.8
181 5 3 7 44.177 88.355 0.452 2.87 16 28.3 5.2
182 3 0 12 44.319 88.639 0.454 2.87 8 87.4 24.6
183 6 3 3 44.398 88.796 0.454 2.86 16 29.9 5.7
184 5 1 9 44.474 88.949 0.455 2.86 16 70.9 32.2
185 5 4 5 44.547 89.093 0.455 2.85 16 35.1 7.9
186 3 1 12 44.911 89.823 0.458 2.83 16 70.3 31.4
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 1 0 0 5.833 11.666 7.5792 1041.0 35.5 35.6 5.6
2 0 0 2 6.014 12.028 7.3521 1308.2 44.6 44.7 5.6
3 1 1 0 8.264 16.527 5.3593 848.8 28.9 28.9 5.6
4 1 0 2 8.393 16.786 5.27718 2933.9 100.0 100.0 5.6
5 1 1 2 10.245 20.49 4.33081 440.9 15.0 15.0 5.6
6 0 0 4 12.095 24.191 3.67605 38.1 1.3 1.3 5.6
7 2 1 0 13.135 26.271 3.38952 1941.9 66.2 65.7 5.6
8 2 0 2 13.219 26.438 3.36846 2187.9 74.6 74.1 5.6
9 1 0 4 13.467 26.934 3.30754 2389.6 81.4 80.9 5.6
10 2 1 2 14.492 28.984 3.07815 685.2 23.4 23.1 5.6
11 1 1 4 14.72 29.44 3.03145 275.0 9.4 9.3 5.6
12 2 1 3 16.04 32.079 2.78784 48.5 1.7 1.6 5.6
13 2 2 0 16.706 33.411 2.67965 553.1 18.9 18.6 5.7
14 2 0 4 16.973 33.947 2.63859 1998.5 68.1 67.2 5.7
15 3 0 0 17.752 35.503 2.5264 445.8 15.2 15.0 5.7
16 2 2 2 17.816 35.631 2.51764 270.5 9.2 9.1 5.7
17 2 1 4 18.006 36.012 2.4919 455.3 15.5 15.3 5.7
18 0 0 6 18.319 36.638 2.4507 64.6 2.2 2.2 5.7
19 3 1 0 18.747 37.493 2.39675 144.4 4.9 4.8 5.7
20 3 0 2 18.808 37.615 2.38927 125.0 4.3 4.2 5.7
21 1 0 6 19.289 38.578 2.33183 123.9 4.2 4.2 5.7
22 3 1 2 19.757 39.514 2.27873 156.5 5.3 5.2 5.7
23 1 1 6 20.219 40.438 2.22873 86.7 3.0 2.9 5.7
24 2 2 4 20.838 41.675 2.1654 733.8 25.0 24.5 5.7
25 3 1 3 20.962 41.924 2.15312 125.9 4.3 4.2 5.7
26 3 2 0 21.496 42.992 2.10209 158.2 5.4 5.3 5.7
27 3 0 4 21.713 43.426 2.08209 249.3 8.5 8.3 5.7
28 2 0 6 21.982 43.963 2.05788 323.0 11.0 10.8 5.7
29 3 2 2 22.403 44.806 2.0211 542.4 18.5 18.1 5.7
30 3 1 4 22.561 45.121 2.00771 306.7 10.5 10.2 5.7
31 2 1 6 22.821 45.643 1.98598 492.1 16.8 16.4 5.7
32 4 0 0 23.987 47.973 1.8948 357.6 12.2 11.9 5.7
33 3 1 5 24.494 48.988 1.85789 31.3 1.1 1.0 5.7
34 0 0 8 24.777 49.553 1.83802 352.5 12.0 11.7 5.7
35 4 0 2 24.822 49.645 1.83484 186.3 6.4 6.2 5.7
36 3 2 4 24.968 49.936 1.82481 487.0 16.6 16.1 5.7
37 2 2 6 25.21 50.42 1.80844 338.4 11.5 11.2 5.8
38 1 0 8 25.545 51.091 1.78625 106.0 3.6 3.5 5.8
39 4 1 2 25.59 51.181 1.78333 283.0 9.6 9.3 5.8
40 3 0 6 25.97 51.939 1.75906 223.7 7.6 7.4 5.8
41 1 1 8 26.298 52.596 1.73862 74.8 2.5 2.5 5.8
42 3 3 2 26.342 52.684 1.73592 43.7 1.5 1.4 5.8
43 3 1 6 26.714 53.427 1.71352 59.6 2.0 2.0 5.8
44 4 2 0 27.033 54.066 1.69476 334.2 11.4 11.0 5.8
45 4 0 4 27.216 54.432 1.68423 115.0 3.9 3.8 5.8
46 2 0 8 27.76 55.52 1.65377 64.4 2.2 2.1 5.8
47 4 2 2 27.803 55.605 1.65145 404.0 13.8 13.3 5.8
48 4 1 4 27.937 55.875 1.64412 353.9 12.1 11.6 5.8
49 2 1 8 28.472 56.944 1.61575 395.1 13.5 13.0 5.8
50 3 3 4 28.646 57.293 1.60675 32.0 1.1 1.0 5.8
51 3 2 6 28.866 57.733 1.59555 46.5 1.6 1.5 5.8
52 3 1 7 29.183 58.366 1.57974 30.8 1.0 1.0 5.8
53 4 2 4 30.032 60.064 1.53907 177.4 6.0 5.8 5.8
54 2 2 8 30.543 61.087 1.51573 303.9 10.4 9.9 5.8
55 4 3 1 30.72 61.441 1.50785 29.5 1.0 1.0 5.8
56 4 0 6 30.921 61.843 1.49901 96.3 3.3 3.1 5.8
57 3 0 8 31.215 62.43 1.4863 186.1 6.3 6.1 5.8
58 4 3 2 31.255 62.509 1.48461 128.2 4.4 4.2 5.8
59 5 1 1 31.39 62.78 1.47887 61.2 2.1 2.0 5.9
60 4 1 6 31.588 63.177 1.47052 83.5 2.8 2.7 5.9
61 3 1 8 31.879 63.758 1.45852 65.5 2.2 2.1 5.9
62 5 1 2 31.918 63.836 1.45693 48.2 1.6 1.6 5.9
63 1 0 10 32.25 64.5 1.44351 124.4 4.2 4.0 5.9
64 5 2 0 33.182 66.364 1.40742 130.0 4.4 4.2 5.9
65 5 0 4 33.344 66.688 1.40137 258.5 8.8 8.4 5.9
66 4 2 6 33.546 67.091 1.39392 131.5 4.5 4.2 5.9
67 3 2 8 33.827 67.654 1.38368 88.4 3.0 2.8 5.9
68 5 2 2 33.865 67.73 1.38232 84.0 2.9 2.7 5.9
69 5 1 4 33.985 67.97 1.37802 37.8 1.3 1.2 5.9
70 2 0 10 34.187 68.375 1.37084 162.8 5.5 5.2 5.9
71 3 1 9 34.791 69.582 1.34998 33.0 1.1 1.1 5.9
72 2 1 10 34.821 69.643 1.34896 41.6 1.4 1.3 5.9
73 5 1 5 35.496 70.992 1.32658 45.8 1.6 1.5 5.9
74 4 0 8 35.722 71.445 1.31929 144.9 4.9 4.6 5.9
75 4 4 2 35.759 71.518 1.31812 64.8 2.2 2.1 5.9
76 5 2 4 35.876 71.753 1.31438 59.2 2.0 1.9 5.9
77 4 1 8 36.344 72.689 1.29975 72.7 2.5 2.3 6.0
78 2 2 10 36.694 73.387 1.28909 170.8 5.8 5.4 6.0
79 5 1 6 37.307 74.614 1.27091 38.5 1.3 1.2 6.0
80 4 4 4 37.727 75.455 1.25882 132.7 4.5 4.2 6.0
81 3 1 10 37.921 75.843 1.25335 29.5 1.0 0.9 6.0
82 4 2 8 38.187 76.374 1.24595 205.6 7.0 6.5 6.0
83 6 0 2 38.223 76.445 1.24496 45.1 1.5 1.4 6.0
84 6 1 2 38.83 77.66 1.2285 48.8 1.7 1.5 6.0
85 5 3 4 38.944 77.888 1.22547 75.4 2.6 2.4 6.0
86 5 2 6 39.134 78.267 1.22048 66.7 2.3 2.1 6.0
87 1 0 12 39.552 79.105 1.20964 58.7 2.0 1.9 6.0
88 3 2 10 39.739 79.478 1.2049 141.2 4.8 4.4 6.0
89 6 2 0 39.999 79.997 1.19838 40.3 1.4 1.3 6.0
90 6 0 4 40.149 80.299 1.19464 107.3 3.7 3.4 6.0
91 6 2 2 40.636 81.272 1.18277 102.2 3.5 3.2 6.1
92 6 1 4 40.749 81.497 1.18007 60.5 2.1 1.9 6.1
93 4 4 6 40.936 81.873 1.17561 43.6 1.5 1.4 6.1
94 4 3 8 41.199 82.397 1.16944 113.8 3.9 3.6 6.1
95 5 4 2 41.234 82.468 1.16862 51.3 1.7 1.6 6.1
96 2 0 12 41.351 82.701 1.16592 50.6 1.7 1.6 6.1
97 4 0 10 41.535 83.071 1.16166 37.7 1.3 1.2 6.1
98 5 1 8 41.795 83.59 1.15577 39.0 1.3 1.2 6.1
99 2 1 12 41.947 83.893 1.15236 40.3 1.4 1.3 6.1
100 4 1 10 42.131 84.262 1.14825 82.1 2.8 2.6 6.1
101 6 2 4 42.537 85.073 1.13936 140.2 4.8 4.4 6.1
102 5 4 4 43.13 86.26 1.1267 81.2 2.8 2.5 6.1
103 6 0 6 43.316 86.632 1.12282 58.6 2.0 1.8 6.1
104 5 2 8 43.576 87.153 1.11745 73.9 2.5 2.3 6.2
105 6 3 2 43.611 87.223 1.11673 59.1 2.0 1.8 6.2
106 2 2 12 43.727 87.455 1.11437 59.9 2.0 1.9 6.2
107 4 2 10 43.911 87.822 1.11065 166.5 5.7 5.1 6.2
108 5 1 9 44.474 88.949 1.09947 32.2 1.1 1.0 6.2
109 3 1 12 44.911 89.823 1.09103 31.4 1.1 1.0 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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