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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BARYLITE
1, t-barylite
BaBe(2)Si(2)O(7)
Orthorhombic P nma Z = 4
Pnma
27 .4 .1988
Ref.Str.:
Robinson P.D., Fand Y.H. (1977)
* Amer. Mineral., 62, 167-169
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.82 alpha = 90.0
b = 11.67 beta = 90.0
c = 4.69 gamma = 90.0
Unit cell volume (cub. angs.) = 537.47
Molar volume ( cub.cm/mol.) = 80.93
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1516 0.75 0.247 0.0 Ba = 1.00
2 0.161 0.502 0.703 0.0 Be = 1.00
3 0.0885 0.3779 0.1995 0.0 S = 1.00
4 0.4291 0.3846 0.2175 0.0 O = 1.00
5 0.1874 0.4712 0.3558 0.0 O = 1.00
6 0.1072 0.3868 0.8592 0.0 O = 1.00
7 0.1454 0.25 0.2958 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1516 0.75 0.247
2 2 0.161 0.502 0.703
3 3 0.0885 0.3779 0.1995
4 4 0.4291 0.3846 0.2175
5 5 0.1874 0.4712 0.3558
6 6 0.1072 0.3868 0.8592
7 7 0.1454 0.25 0.2958
8 1 0.3484 0.25 0.747
9 2 0.339 0.498 0.203
10 3 0.4115 0.6221 0.6995
11 4 0.0709 0.6154 0.7175
12 5 0.3126 0.5288 0.8558
13 6 0.3928 0.6132 0.3592
14 7 0.3546 0.75 0.7958
15 2 0.339 0.002 0.203
16 3 0.4115 0.8779 0.6995
17 4 0.0709 0.8846 0.7175
18 5 0.3126 0.9712 0.8558
19 6 0.3928 0.8868 0.3592
20 2 0.161 0.998 0.703
21 3 0.0885 0.1221 0.1995
22 4 0.4291 0.1154 0.2175
23 5 0.1874 0.0288 0.3558
24 6 0.1072 0.1132 0.8592
25 1 0.6516 0.75 0.253
26 2 0.661 0.502 0.797
27 3 0.5885 0.3779 0.3005
28 4 0.9291 0.3846 0.2825
29 5 0.6874 0.4712 0.1442
30 6 0.6072 0.3868 0.6408
31 7 0.6454 0.25 0.2042
32 1 0.8484 0.25 0.753
33 2 0.839 0.498 0.297
34 3 0.9115 0.6221 0.8005
35 4 0.5709 0.6154 0.7825
36 5 0.8126 0.5288 0.6442
37 6 0.8928 0.6132 0.1408
38 7 0.8546 0.75 0.7042
39 2 0.839 0.002 0.297
40 3 0.9115 0.8779 0.8005
41 4 0.5709 0.8846 0.7825
42 5 0.8126 0.9712 0.6442
43 6 0.8928 0.8868 0.1408
44 2 0.661 0.998 0.797
45 3 0.5885 0.1221 0.3005
46 4 0.9291 0.1154 0.2825
47 5 0.6874 0.0288 0.1442
48 6 0.6072 0.1132 0.6408
X-ray density (g/cm cub.) = 4.1
MU (1/cm) = 646.743 Mass attenuation coefficient (cm**2/g) = 157.93
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.288 10
2.8222 4
3.0434 4
2.9044 6
3.2556 7
2.9072 7
2.8222 4
3.0434 4
2.9044 6
3.0423 6
3.0423 6
2 Be 2.04 4
1.6876 5
1.6196 6
1.5934 4
1.6816 5
3 S 1.98 4
1.6328 5
1.6099 6
1.6565 7
1.6149 4
4 O 3.264 9
2.66 5
3.2193 7
2.6492 5
2.7723 6
3.1416 4
2.752 5
2.6459 6
3.221 6
2.6425 7
5 O 3.264 9
2.66 4
2.6766 6
2.6486 6
2.6292 7
2.6492 4
2.7317 5
2.7317 5
2.6105 6
2.752 4
6 O 3.264 9
2.6486 5
2.6766 5
2.6234 7
3.1099 7
2.7723 4
2.6105 5
3.1929 6
2.6459 4
3.221 4
7 O 3.264 10
3.2193 4
2.6292 5
3.1099 6
2.6234 6
3.2193 4
2.6292 5
3.1099 6
2.6234 6
2.6425 4
2.6425 4
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 2 0 7.586 15.172 0.086 111.81 2 130.7 1323.1
2 2 0 0 9.026 18.052 0.102 78.33 2 23.7 30.4
3 2 1 0 9.799 19.599 0.11 66.12 4 73.6 495.6
4 0 1 1 10.195 20.391 0.115 60.92 4 77.7 509.7
5 1 0 1 10.487 20.974 0.118 57.47 4 27.6 60.5
6 1 1 1 11.163 22.327 0.126 50.46 8 15.2 32.4
7 2 2 0 11.831 23.663 0.133 44.69 4 31.9 63.1
8 1 2 1 12.994 25.987 0.146 36.7 8 8.5 7.4
9 2 0 1 13.128 26.256 0.147 35.92 4 222.1 2454.1
10 2 1 1 13.681 27.363 0.154 32.91 8 94.5 814.2
11 2 3 0 14.633 29.266 0.164 28.52 4 242.1 2314.1
12 0 3 1 14.908 29.815 0.167 27.41 4 256.7 2500.6
13 2 2 1 15.23 30.461 0.171 26.18 8 190.8 2639.7
14 0 4 0 15.309 30.618 0.171 25.89 2 67.7 82.2
15 1 3 1 15.602 31.204 0.175 24.85 8 25.8 45.9
16 3 0 1 16.676 33.353 0.186 21.52 4 16.8 8.4
17 3 1 1 17.125 34.25 0.191 20.31 8 42.1 99.6
18 2 3 1 17.537 35.074 0.196 19.29 8 19.5 20.4
19 2 4 0 17.885 35.771 0.199 18.47 4 171.9 756.1
20 4 0 0 18.286 36.572 0.204 17.6 2 270.2 889.6
21 3 2 1 18.414 36.827 0.205 17.33 8 23.6 26.8
22 4 1 0 18.701 37.402 0.208 16.75 4 120.9 338.9
23 1 4 1 18.704 37.408 0.208 16.74 8 49.2 112.1
24 0 0 2 19.176 38.353 0.213 15.85 2 332.0 1209.6
25 1 0 2 19.738 39.475 0.219 14.87 4 26.5 14.4
26 4 2 0 19.901 39.802 0.221 14.6 4 132.0 352.4
27 1 1 2 20.127 40.254 0.223 14.23 8 14.4 8.2
28 2 4 1 20.382 40.763 0.226 13.84 8 169.1 1095.5
29 3 3 1 20.405 40.81 0.226 13.81 8 55.3 116.8
30 0 2 2 20.733 41.466 0.23 13.32 4 152.9 431.2
31 4 0 1 20.741 41.482 0.23 13.31 4 122.5 276.6
32 4 1 1 21.115 42.23 0.234 12.79 8 91.1 294.1
33 1 2 2 21.26 42.52 0.235 12.59 8 25.2 22.1
34 2 0 2 21.347 42.694 0.236 12.48 4 15.1 4.0
35 2 5 0 21.433 42.866 0.237 12.37 4 163.4 457.0
36 0 5 1 21.631 43.263 0.239 12.11 4 175.3 515.3
37 2 1 2 21.713 43.425 0.24 12.01 8 108.7 393.2
38 4 3 0 21.778 43.557 0.241 11.93 4 79.6 104.6
39 1 5 1 22.141 44.282 0.245 11.5 8 41.1 53.7
40 4 2 1 22.207 44.414 0.245 11.42 8 87.5 242.4
41 2 2 2 22.781 45.563 0.251 10.78 8 49.4 72.7
42 3 4 1 22.951 45.902 0.253 10.6 8 37.2 40.5
43 1 3 2 23.047 46.094 0.254 10.5 8 3.3 0.3
44 0 6 0 23.33 46.661 0.257 10.21 2 184.7 241.3
45 2 5 1 23.617 47.235 0.26 9.94 8 0.7 0.0
46 3 0 2 23.833 47.666 0.262 9.73 4 41.2 22.8
47 4 3 1 23.938 47.876 0.263 9.64 8 127.3 432.4
48 3 1 2 24.169 48.338 0.266 9.43 8 25.9 17.4
49 4 4 0 24.209 48.418 0.266 9.39 4 60.6 47.7
50 2 3 2 24.481 48.962 0.269 9.16 8 162.7 671.1
51 0 4 2 24.925 49.85 0.274 8.79 4 86.4 91.0
52 3 2 2 25.156 50.312 0.276 8.61 8 14.1 4.7
53 5 0 1 25.163 50.327 0.276 8.6 4 61.3 44.8
54 2 6 0 25.212 50.424 0.277 8.56 4 22.3 5.9
55 1 4 2 25.383 50.766 0.278 8.43 8 29.6 20.5
56 5 1 1 25.486 50.972 0.279 8.36 8 15.8 5.8
57 1 6 1 25.84 51.679 0.283 8.1 8 12.1 3.3
58 3 5 1 25.934 51.869 0.284 8.03 8 22.8 11.6
59 4 4 1 26.214 52.429 0.287 7.84 8 127.1 350.8
60 5 2 1 26.437 52.875 0.289 7.69 8 23.9 12.2
61 2 4 2 26.723 53.447 0.292 7.5 8 110.0 251.3
62 3 3 2 26.742 53.485 0.292 7.49 8 8.5 1.5
63 4 0 2 27.017 54.033 0.295 7.32 4 187.0 354.1
64 4 5 0 27.089 54.178 0.296 7.27 4 30.3 9.2
65 2 6 1 27.164 54.328 0.296 7.23 8 147.6 435.8
66 4 1 2 27.324 54.648 0.298 7.13 8 100.1 198.0
67 5 3 1 27.972 55.945 0.304 6.76 8 3.0 0.2
68 6 0 0 28.076 56.152 0.305 6.7 2 50.3 11.7
69 1 5 2 28.177 56.354 0.307 6.65 8 26.9 13.3
70 4 2 2 28.232 56.464 0.307 6.62 8 118.0 255.4
71 6 1 0 28.375 56.751 0.308 6.54 4 35.9 11.7
72 3 4 2 28.861 57.721 0.313 6.3 8 20.6 7.4
73 4 5 1 28.952 57.905 0.314 6.25 8 122.4 259.5
74 2 7 0 29.205 58.411 0.317 6.13 4 84.2 60.2
75 6 2 0 29.262 58.524 0.317 6.11 4 108.9 100.3
76 3 6 1 29.28 58.559 0.317 6.1 8 15.2 3.9
77 0 7 1 29.364 58.728 0.318 6.06 4 95.1 75.8
78 2 5 2 29.429 58.859 0.319 6.03 8 146.9 360.3
79 4 3 2 29.705 59.41 0.322 5.9 8 72.9 87.0
80 1 7 1 29.775 59.55 0.322 5.87 8 34.5 19.4
81 0 1 3 29.809 59.619 0.323 5.86 4 81.3 53.6
82 6 0 1 29.899 59.798 0.324 5.82 4 76.9 47.6
83 1 0 3 29.929 59.857 0.324 5.8 4 36.8 10.9
84 5 4 1 30.033 60.066 0.325 5.76 8 21.8 7.6
85 6 1 1 30.187 60.374 0.326 5.69 8 162.7 417.5
86 1 1 3 30.216 60.433 0.327 5.68 8 17.2 4.6
87 4 6 0 30.348 60.697 0.328 5.63 4 136.6 145.4
88 6 3 0 30.704 61.408 0.331 5.48 4 96.5 70.6
89 5 0 2 30.769 61.539 0.332 5.46 4 38.0 10.9
90 0 6 2 30.966 61.932 0.334 5.38 4 159.2 188.8
91 2 7 1 30.987 61.974 0.334 5.37 8 95.3 135.1
92 6 2 1 31.041 62.083 0.335 5.35 8 105.4 164.7
93 5 1 2 31.053 62.105 0.335 5.35 8 8.1 1.0
94 1 2 3 31.07 62.141 0.335 5.34 8 9.9 1.4
95 2 0 3 31.137 62.274 0.336 5.32 4 159.1 186.2
96 1 6 2 31.364 62.728 0.338 5.23 8 0.7 0.0
97 2 1 3 31.418 62.837 0.338 5.21 8 70.1 70.9
98 3 5 2 31.448 62.895 0.339 5.2 8 32.5 15.2
99 4 4 2 31.695 63.391 0.341 5.11 8 83.1 97.7
100 0 8 0 31.873 63.746 0.343 5.05 2 291.1 296.2
101 5 2 2 31.893 63.787 0.343 5.04 8 3.4 0.2
102 0 3 3 32.074 64.148 0.345 4.98 4 186.2 239.0
103 4 6 1 32.092 64.184 0.345 4.97 8 101.0 140.5
104 2 2 3 32.254 64.508 0.346 4.92 8 155.2 328.1
105 6 3 1 32.436 64.873 0.348 4.86 8 59.5 47.7
106 1 3 3 32.465 64.929 0.348 4.85 8 44.4 26.5
107 2 6 2 32.542 65.083 0.349 4.83 8 32.8 14.4
108 5 5 1 32.565 65.129 0.349 4.82 8 6.3 0.5
109 6 4 0 32.659 65.318 0.35 4.79 4 264.5 464.0
110 3 7 1 32.95 65.899 0.353 4.7 8 29.1 11.0
111 3 0 3 33.095 66.19 0.354 4.66 4 15.7 1.6
112 5 3 2 33.269 66.538 0.356 4.6 8 14.4 2.6
113 3 1 3 33.367 66.734 0.357 4.58 8 59.1 44.2
114 2 8 0 33.426 66.851 0.358 4.56 4 5.9 0.2
115 2 3 3 33.622 67.243 0.359 4.5 8 11.6 1.7
116 4 7 0 33.952 67.904 0.363 4.41 4 133.0 108.1
117 1 8 1 33.954 67.908 0.363 4.41 8 21.2 5.5
118 4 5 2 34.158 68.316 0.364 4.36 8 56.9 39.0
119 3 2 3 34.177 68.355 0.365 4.35 8 26.9 8.7
120 6 4 1 34.338 68.676 0.366 4.31 8 60.4 43.5
121 1 4 3 34.366 68.731 0.366 4.3 8 65.4 51.0
122 3 6 2 34.457 68.914 0.367 4.28 8 8.9 0.9
123 1 7 2 34.911 69.822 0.371 4.17 8 0.9 0.0
124 7 0 1 34.968 69.936 0.372 4.15 4 7.8 0.3
125 6 0 2 35.025 70.05 0.373 4.14 4 57.8 19.2
126 2 8 1 35.087 70.173 0.373 4.12 8 153.7 269.9
127 6 5 0 35.087 70.174 0.373 4.12 4 100.3 57.4
128 5 4 2 35.148 70.297 0.374 4.11 8 24.9 7.1
129 7 1 1 35.233 70.466 0.374 4.09 8 24.8 7.0
130 6 1 2 35.29 70.58 0.375 4.08 8 48.2 26.2
131 2 4 3 35.492 70.984 0.377 4.03 8 92.0 94.4
132 3 3 3 35.508 71.017 0.377 4.03 8 81.1 73.3
133 5 6 1 35.525 71.051 0.377 4.02 8 0.9 0.0
134 4 7 1 35.602 71.204 0.378 4.01 8 76.9 65.6
135 4 0 3 35.742 71.484 0.379 3.97 4 54.8 16.5
136 4 1 3 36.005 72.01 0.382 3.92 8 70.9 54.5
137 7 2 1 36.024 72.048 0.382 3.91 8 4.5 0.2
138 2 7 2 36.03 72.06 0.382 3.91 8 93.1 93.9
139 6 2 2 36.08 72.161 0.382 3.9 8 110.7 132.6
140 0 5 3 36.372 72.745 0.385 3.84 4 171.6 156.7
141 6 5 1 36.714 73.428 0.388 3.77 8 46.3 22.4
142 1 5 3 36.741 73.482 0.388 3.77 8 56.8 33.7
143 4 2 3 36.789 73.578 0.389 3.76 8 101.2 106.7
144 3 8 1 36.94 73.88 0.39 3.73 8 2.6 0.1
145 4 6 2 37.06 74.119 0.391 3.71 8 113.5 132.4
146 7 3 1 37.327 74.654 0.394 3.66 8 29.7 8.9
147 3 4 3 37.337 74.675 0.394 3.66 8 44.4 19.9
148 6 3 2 37.382 74.765 0.394 3.65 8 80.3 65.3
149 5 5 2 37.503 75.005 0.395 3.63 8 5.8 0.3
150 2 5 3 37.838 75.676 0.398 3.57 8 28.5 8.0
151 3 7 2 37.865 75.73 0.398 3.57 8 5.8 0.3
152 4 8 0 37.896 75.791 0.399 3.56 4 183.3 165.6
153 2 9 0 37.909 75.818 0.399 3.56 4 62.9 19.5
154 6 6 0 37.959 75.918 0.399 3.55 4 77.3 29.4
155 0 9 1 38.049 76.098 0.4 3.54 4 58.3 16.7
156 4 3 3 38.082 76.164 0.4 3.53 8 124.8 152.4
157 1 9 1 38.411 76.823 0.403 3.48 8 10.3 1.0
158 0 8 2 38.453 76.906 0.404 3.47 4 226.4 246.5
159 1 8 2 38.814 77.629 0.407 3.42 8 13.5 1.7
160 8 0 0 38.867 77.735 0.407 3.41 2 14.5 0.5
161 5 7 1 38.896 77.792 0.408 3.4 8 6.6 0.4
162 5 0 3 39.032 78.064 0.409 3.38 4 83.3 32.5
163 8 1 0 39.123 78.245 0.41 3.37 4 164.5 126.4
164 7 4 1 39.124 78.249 0.41 3.37 8 10.7 1.1
165 6 4 2 39.179 78.358 0.41 3.36 8 201.1 376.9
166 5 1 3 39.287 78.574 0.411 3.35 8 34.6 11.1
167 4 8 1 39.48 78.959 0.413 3.32 8 56.6 29.5
168 2 9 1 39.493 78.986 0.413 3.32 8 44.4 18.1
169 6 6 1 39.542 79.084 0.413 3.31 8 84.5 65.5
170 1 6 3 39.568 79.136 0.413 3.31 8 15.1 2.1
171 3 5 3 39.644 79.288 0.414 3.3 8 46.2 19.5
172 7 0 2 39.779 79.559 0.415 3.28 4 18.1 1.5
173 4 4 3 39.869 79.738 0.416 3.27 8 85.6 66.4
174 8 2 0 39.885 79.771 0.416 3.27 4 61.4 17.1
175 2 8 2 39.893 79.786 0.416 3.27 8 13.6 1.7
176 7 1 2 40.033 80.066 0.418 3.25 8 22.6 4.6
177 5 2 3 40.049 80.098 0.418 3.25 8 26.9 6.5
178 5 6 2 40.313 80.626 0.42 3.22 8 9.9 0.9
179 4 7 2 40.386 80.772 0.421 3.21 8 93.5 77.7
180 8 0 1 40.44 80.881 0.421 3.2 4 86.4 33.1
181 2 6 3 40.641 81.283 0.423 3.18 8 139.6 171.5
182 8 1 1 40.693 81.386 0.423 3.17 8 58.8 30.4
183 7 2 2 40.792 81.583 0.424 3.16 8 13.2 1.5
184 0 0 4 41.068 82.136 0.426 3.13 2 128.3 35.7
185 8 3 0 41.149 82.298 0.427 3.12 4 59.4 15.2
186 6 7 0 41.264 82.528 0.428 3.11 4 7.6 0.3
187 3 9 1 41.279 82.558 0.428 3.11 8 17.5 2.7
188 0 10 0 41.304 82.608 0.428 3.11 2 91.1 17.8
189 5 3 3 41.311 82.623 0.429 3.11 8 6.5 0.4
190 7 5 1 41.403 82.805 0.429 3.1 8 3.1 0.1
191 1 0 4 41.424 82.847 0.429 3.09 4 32.8 4.6
192 8 2 1 41.449 82.898 0.43 3.09 8 141.4 171.1
193 6 5 2 41.457 82.913 0.43 3.09 8 75.9 49.4
194 1 1 4 41.675 83.35 0.432 3.07 8 8.9 0.7
195 3 8 2 41.675 83.35 0.432 3.07 8 28.9 7.1
196 7 3 2 42.05 84.099 0.435 3.03 8 1.3 0.0
197 0 2 4 42.074 84.148 0.435 3.03 4 143.5 86.4
198 4 5 3 42.138 84.276 0.436 3.03 8 110.9 103.1
199 4 9 0 42.207 84.415 0.436 3.02 4 75.8 24.0
200 3 6 3 42.417 84.835 0.438 3.0 8 21.9 4.0
201 1 2 4 42.428 84.856 0.438 3.0 8 1.9 0.0
202 2 0 4 42.487 84.975 0.438 3.0 4 16.6 1.1
203 0 7 3 42.49 84.98 0.438 3.0 4 53.1 11.7
204 5 8 1 42.684 85.368 0.44 2.98 8 29.1 7.0
205 8 3 1 42.704 85.407 0.44 2.98 8 22.5 4.2
206 2 10 0 42.722 85.444 0.44 2.98 4 58.2 14.0
207 2 1 4 42.738 85.476 0.441 2.97 8 124.0 126.6
208 6 7 1 42.818 85.636 0.441 2.97 8 163.7 220.4
209 1 7 3 42.844 85.687 0.441 2.97 8 42.7 15.0
210 8 4 0 42.906 85.812 0.442 2.96 4 37.8 5.9
211 6 0 3 42.951 85.902 0.442 2.96 4 99.4 40.5
212 5 4 3 43.067 86.135 0.443 2.95 8 42.9 15.0
213 1 9 2 43.104 86.209 0.444 2.95 8 0.3 0.0
214 6 1 3 43.201 86.403 0.444 2.94 8 139.3 158.0
215 1 10 1 43.211 86.422 0.444 2.94 8 8.0 0.5
216 2 2 4 43.488 86.977 0.447 2.92 8 52.8 22.6
217 5 7 2 43.578 87.156 0.447 2.91 8 16.7 2.2
218 1 3 4 43.679 87.358 0.448 2.91 8 29.6 7.1
219 4 9 1 43.757 87.514 0.449 2.9 8 66.2 35.2
220 7 4 2 43.802 87.603 0.449 2.9 8 4.0 0.1
221 2 7 3 43.903 87.806 0.45 2.89 8 57.8 26.7
222 6 2 3 43.951 87.902 0.451 2.89 8 64.1 32.9
223 4 8 2 44.15 88.3 0.452 2.88 8 146.3 170.4
224 7 6 1 44.158 88.316 0.452 2.87 8 0.9 0.0
225 2 9 2 44.163 88.327 0.452 2.87 8 81.1 52.3
226 6 6 2 44.211 88.423 0.453 2.87 8 85.4 57.9
227 3 0 4 44.253 88.506 0.453 2.87 4 70.3 19.6
228 2 10 1 44.27 88.539 0.453 2.87 8 148.2 174.4
229 8 4 1 44.453 88.907 0.455 2.86 8 152.6 184.3
230 3 1 4 44.503 89.006 0.455 2.85 8 15.4 1.9
231 2 3 4 44.737 89.474 0.457 2.84 8 90.2 64.0
232 4 6 3 44.889 89.777 0.458 2.83 8 89.1 62.3
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 2 0 7.586 15.172 5.835 1323.1 50.1 50.7 5.6
2 2 0 0 9.026 18.052 4.91 30.4 1.2 1.2 5.6
3 2 1 0 9.799 19.599 4.52574 495.6 18.8 18.9 5.6
4 0 1 1 10.195 20.391 4.35172 509.7 19.3 19.5 5.6
5 1 0 1 10.487 20.974 4.2321 60.5 2.3 2.3 5.6
6 1 1 1 11.163 22.327 3.97856 32.4 1.2 1.2 5.6
7 2 2 0 11.831 23.663 3.75688 63.1 2.4 2.4 5.6
8 2 0 1 13.128 26.256 3.39144 2454.1 93.0 93.3 5.6
9 2 1 1 13.681 27.363 3.2567 814.2 30.8 30.9 5.6
10 2 3 0 14.633 29.266 3.04906 2314.1 87.7 87.8 5.6
11 0 3 1 14.908 29.815 2.99413 2500.6 94.7 94.8 5.6
12 2 2 1 15.23 30.461 2.93214 2639.7 100.0 100.0 5.6
13 0 4 0 15.309 30.618 2.9175 82.2 3.1 3.1 5.6
14 1 3 1 15.602 31.204 2.86396 45.9 1.7 1.7 5.6
15 3 1 1 17.125 34.25 2.61591 99.6 3.8 3.8 5.7
16 2 4 0 17.885 35.771 2.50814 756.1 28.6 28.5 5.7
17 4 0 0 18.286 36.572 2.455 889.6 33.7 33.5 5.7
18 3 2 1 18.414 36.827 2.43857 26.8 1.0 1.0 5.7
19 4 1 0 18.701 37.402 2.40242 451.0 17.1 17.0 5.7
20 0 0 2 19.176 38.353 2.345 1209.6 45.8 45.5 5.7
21 4 2 0 19.901 39.802 2.26287 352.4 13.3 13.2 5.7
22 2 4 1 20.382 40.763 2.21173 1212.3 45.9 45.5 5.7
23 0 2 2 20.733 41.466 2.17586 707.8 26.8 26.5 5.7
24 4 1 1 21.115 42.23 2.13821 294.1 11.1 11.0 5.7
25 2 5 0 21.433 42.866 2.10796 457.0 17.3 17.1 5.7
26 0 5 1 21.631 43.263 2.08955 515.3 19.5 19.3 5.7
27 2 1 2 21.713 43.425 2.0821 393.2 14.9 14.7 5.7
28 4 3 0 21.778 43.557 2.07612 104.6 4.0 3.9 5.7
29 1 5 1 22.141 44.282 2.04379 53.7 2.0 2.0 5.7
30 4 2 1 22.207 44.414 2.03805 242.4 9.2 9.1 5.7
31 2 2 2 22.781 45.563 1.98928 72.7 2.8 2.7 5.7
32 3 4 1 22.951 45.902 1.97536 40.5 1.5 1.5 5.7
33 0 6 0 23.33 46.661 1.945 241.3 9.1 9.0 5.7
34 4 3 1 23.938 47.876 1.89843 432.4 16.4 16.1 5.7
35 4 4 0 24.209 48.418 1.87844 47.7 1.8 1.8 5.7
36 2 3 2 24.481 48.962 1.85883 671.1 25.4 25.0 5.7
37 0 4 2 24.925 49.85 1.82777 91.0 3.4 3.4 5.7
38 5 0 1 25.163 50.327 1.81157 49.5 1.9 1.8 5.8
39 4 4 1 26.214 52.429 1.74378 350.8 13.3 13.0 5.8
40 2 4 2 26.723 53.447 1.71294 252.8 9.6 9.3 5.8
41 4 0 2 27.017 54.033 1.69572 354.1 13.4 13.1 5.8
42 2 6 1 27.164 54.328 1.68722 435.8 16.5 16.1 5.8
43 4 1 2 27.324 54.648 1.6781 198.0 7.5 7.3 5.8
44 4 2 2 28.232 56.464 1.62835 255.4 9.7 9.4 5.8
45 4 5 1 28.952 57.905 1.59121 259.5 9.8 9.5 5.8
46 2 7 0 29.205 58.411 1.57863 60.2 2.3 2.2 5.8
47 6 2 0 29.262 58.524 1.57585 104.2 3.9 3.8 5.8
48 0 7 1 29.364 58.728 1.57085 75.8 2.9 2.8 5.8
49 2 5 2 29.429 58.859 1.56768 360.3 13.6 13.2 5.8
50 4 3 2 29.705 59.41 1.55445 87.0 3.3 3.2 5.8
51 0 1 3 29.809 59.619 1.54949 53.6 2.0 2.0 5.8
52 6 0 1 29.899 59.798 1.54528 47.6 1.8 1.7 5.8
53 6 1 1 30.187 60.374 1.53191 417.5 15.8 15.3 5.8
54 4 6 0 30.348 60.697 1.52453 145.4 5.5 5.3 5.8
55 6 3 0 30.704 61.408 1.50858 70.6 2.7 2.6 5.8
56 0 6 2 30.966 61.932 1.49706 323.9 12.3 11.8 5.8
57 6 2 1 31.041 62.083 1.49378 167.1 6.3 6.1 5.8
58 2 0 3 31.137 62.274 1.48965 186.2 7.1 6.8 5.8
59 2 1 3 31.418 62.837 1.47766 86.1 3.3 3.1 5.9
60 4 4 2 31.695 63.391 1.46607 97.7 3.7 3.6 5.9
61 0 8 0 31.873 63.746 1.45875 296.4 11.2 10.8 5.9
62 0 3 3 32.074 64.148 1.45057 379.6 14.4 13.8 5.9
63 2 2 3 32.254 64.508 1.44335 328.1 12.4 11.9 5.9
64 6 3 1 32.436 64.873 1.43612 74.1 2.8 2.7 5.9
65 6 4 0 32.659 65.318 1.4274 464.0 17.6 16.9 5.9
66 3 1 3 33.367 66.734 1.40051 44.2 1.7 1.6 5.9
67 4 7 0 33.952 67.904 1.37919 113.6 4.3 4.1 5.9
68 4 5 2 34.158 68.316 1.37187 47.7 1.8 1.7 5.9
69 1 4 3 34.366 68.731 1.3646 94.5 3.6 3.4 5.9
70 2 8 1 35.087 70.173 1.34005 327.4 12.4 11.8 5.9
71 2 4 3 35.492 70.984 1.32671 167.7 6.4 6.0 5.9
72 4 7 1 35.602 71.204 1.32317 65.6 2.5 2.4 5.9
73 2 7 2 36.03 72.06 1.30954 148.6 5.6 5.3 5.9
74 6 2 2 36.08 72.161 1.30796 132.6 5.0 4.8 5.9
75 0 5 3 36.372 72.745 1.29889 156.7 5.9 5.6 6.0
76 1 5 3 36.741 73.482 1.28767 56.1 2.1 2.0 6.0
77 4 2 3 36.789 73.578 1.28623 106.7 4.0 3.8 6.0
78 4 6 2 37.06 74.119 1.27816 132.4 5.0 4.7 6.0
79 3 4 3 37.337 74.675 1.27002 28.9 1.1 1.0 6.0
80 6 3 2 37.382 74.765 1.26872 65.3 2.5 2.3 6.0
81 4 8 0 37.896 75.791 1.25407 185.1 7.0 6.6 6.0
82 6 6 0 37.959 75.918 1.25229 29.4 1.1 1.0 6.0
83 4 3 3 38.082 76.164 1.24886 152.4 5.8 5.4 6.0
84 0 8 2 38.453 76.906 1.23865 246.5 9.3 8.8 6.0
85 5 0 3 39.032 78.064 1.22314 32.5 1.2 1.2 6.0
86 8 1 0 39.123 78.245 1.22077 127.4 4.8 4.5 6.0
87 6 4 2 39.179 78.358 1.21928 376.9 14.3 13.4 6.0
88 4 8 1 39.48 78.959 1.21151 47.7 1.8 1.7 6.0
89 6 6 1 39.542 79.084 1.20991 67.6 2.6 2.4 6.0
90 4 4 3 39.869 79.738 1.20163 85.2 3.2 3.0 6.0
91 4 7 2 40.386 80.772 1.18882 77.7 2.9 2.7 6.1
92 8 0 1 40.44 80.881 1.1875 33.1 1.3 1.2 6.1
93 2 6 3 40.641 81.283 1.18264 171.5 6.5 6.0 6.1
94 8 1 1 40.693 81.386 1.1814 30.4 1.1 1.1 6.1
95 0 0 4 41.068 82.136 1.1725 35.7 1.4 1.3 6.1
96 8 2 1 41.449 82.898 1.16365 225.0 8.5 7.9 6.1
97 0 2 4 42.074 84.148 1.14952 86.4 3.3 3.0 6.1
98 4 5 3 42.138 84.276 1.1481 103.1 3.9 3.6 6.1
99 2 1 4 42.738 85.476 1.13503 140.5 5.3 4.9 6.1
100 6 7 1 42.818 85.636 1.13331 235.3 8.9 8.2 6.1
101 6 0 3 42.951 85.902 1.13048 40.5 1.5 1.4 6.1
102 6 1 3 43.201 86.403 1.12521 158.5 6.0 5.5 6.1
103 4 9 1 43.757 87.514 1.11377 35.2 1.3 1.2 6.2
104 2 7 3 43.903 87.806 1.11081 26.7 1.0 0.9 6.2
105 6 2 3 43.951 87.902 1.10984 32.9 1.2 1.1 6.2
106 4 8 2 44.15 88.3 1.10586 222.7 8.4 7.7 6.2
107 6 6 2 44.211 88.423 1.10465 57.9 2.2 2.0 6.2
108 2 10 1 44.27 88.539 1.1035 194.0 7.4 6.7 6.2
109 8 4 1 44.453 88.907 1.09988 184.3 7.0 6.4 6.2
110 2 3 4 44.737 89.474 1.09437 64.0 2.4 2.2 6.2
111 4 6 3 44.889 89.777 1.09147 62.3 2.4 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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