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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AHLFELDITE
2, syn, g-ahlfeldite
NiSeO(3).2H(2)O
Monoclinic P 2(1)/n Z = 4
P2(1)/n
25 .9 .8
Ref.Str.:
Larranaga A., Mesa J.L., Pizarro J.L. et al. (2005)
* Materials Research Bull., 40, 781-793
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.4681 alpha = 90.0
b = 8.7816 beta = 98.93
c = 7.5668 gamma = 90.0
Unit cell volume (cub. angs.) = 424.59
Molar volume ( cub.cm/mol.) = 63.94
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6497 0.138 0.982 0.0 Ni = 0.6 , Co = 0.4
2 0.1025 0.1523 0.8371 0.0 Se = 1.00
3 0.1739 0.3254 0.7652 0.0 O = 1.00
4 0.9592 0.1994 0.9975 0.0 O = 1.00
5 0.3279 0.0924 0.9667 0.0 O = 1.00
6 0.1158 0.4349 0.2067 0.0 H(2)O = 1.00
7 0.5815 0.3592 0.9219 0.0 H(2)O = 1.00
8 0.072 0.365 0.132 0.0 H = 1.00
9 0.009 0.501 0.198 0.0 H = 1.00
10 0.661 0.425 0.869 0.0 H = 1.00
11 0.446 0.368 0.879 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6497 0.138 0.982
2 2 0.1025 0.1523 0.8371
3 3 0.1739 0.3254 0.7652
4 4 0.9592 0.1994 0.9975
5 5 0.3279 0.0924 0.9667
6 6 0.1158 0.4349 0.2067
7 7 0.5815 0.3592 0.9219
8 8 0.072 0.365 0.132
9 9 0.009 0.501 0.198
10 10 0.661 0.425 0.869
11 11 0.446 0.368 0.879
12 1 0.3503 0.862 0.018
13 2 0.8975 0.8477 0.1629
14 3 0.8261 0.6746 0.2348
15 4 0.0408 0.8006 0.0025
16 5 0.6721 0.9076 0.0333
17 6 0.8842 0.5651 0.7933
18 7 0.4185 0.6408 0.0781
19 8 0.928 0.635 0.868
20 9 0.991 0.499 0.802
21 10 0.339 0.575 0.131
22 11 0.554 0.632 0.121
23 1 0.1497 0.362 0.482
24 2 0.6025 0.3477 0.3371
25 3 0.6739 0.1746 0.2652
26 4 0.4592 0.3006 0.4975
27 5 0.8279 0.4076 0.4667
28 6 0.6158 0.0651 0.7067
29 7 0.0815 0.1408 0.4219
30 8 0.572 0.135 0.632
31 9 0.509 0.999 0.698
32 10 0.161 0.075 0.369
33 11 0.946 0.132 0.379
34 1 0.8503 0.638 0.518
35 2 0.3975 0.6523 0.6629
36 3 0.3261 0.8254 0.7348
37 4 0.5408 0.6994 0.5025
38 5 0.1721 0.5924 0.5333
39 6 0.3842 0.9349 0.2933
40 7 0.9185 0.8592 0.5781
41 8 0.428 0.865 0.368
42 9 0.491 0.001 0.302
43 10 0.839 0.925 0.631
44 11 0.054 0.868 0.621
X-ray density (g/cm cub.) = 3.53
MU (1/cm) = 257.65 Mass attenuation coefficient (cm**2/g) = 72.96
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni ,Co 2.736 6
2.0589 4
2.1051 5
2.0279 7
2.061 5
2.1484 3
2.1577 6
2 Se 2.628 3
1.7023 3
1.6889 4
1.7089 5
3 O 3.432 8
2.6458 4
2.6518 5
2.7339 7
2.848 6
2.9523 4
3.0104 5
3.0416 7
2.9275 5
4 O 3.432 8
2.6458 3
2.6071 5
2.7039 6
2.7984 7
3.2007 5
2.9523 3
3.1064 6
3.2272 7
5 O 3.432 9
2.6518 3
2.6071 4
2.9099 7
3.2007 4
2.7379 5
3.0104 3
2.9211 6
2.9275 3
2.806 6
6 H(2)O 3.6 10
3.5519 3
2.7039 4
2.848 3
3.5642 4
3.447 6
2.9395 7
3.1064 4
2.9211 5
3.0795 7
2.806 5
7 H(2)O 3.6 8
2.7339 3
2.7984 4
2.9099 5
2.9395 6
3.0017 7
3.0416 3
3.2272 4
3.0795 6
8 H 1.8 1
0.8526 6
9 H 1.8 1
0.8969 6
10 H 1.8 1
0.9069 7
11 H 1.8 1
0.8895 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 1 9.041 18.082 0.088 78.06 4 106.5 1964.1
2 1 0 -1 9.756 19.512 0.095 66.73 2 66.7 329.1
3 1 1 0 9.969 19.938 0.097 63.82 4 5.0 3.6
4 1 1 -1 11.403 22.806 0.111 48.27 4 25.8 71.5
5 1 0 1 11.406 22.813 0.111 48.24 2 49.5 131.2
6 0 2 0 11.754 23.508 0.114 45.31 2 67.4 228.3
7 1 1 1 12.853 25.707 0.124 37.55 4 80.0 533.3
8 0 2 1 13.666 27.331 0.132 32.99 4 95.6 669.6
9 0 0 2 13.846 27.692 0.134 32.08 2 53.5 101.8
10 1 2 0 14.31 28.62 0.138 29.91 4 11.2 8.4
11 0 1 2 15.075 30.151 0.145 26.76 4 125.4 933.6
12 1 2 -1 15.366 30.731 0.148 25.68 4 16.3 15.1
13 1 1 -2 16.094 32.187 0.155 23.24 4 77.5 309.6
14 2 0 0 16.258 32.516 0.157 22.74 2 18.7 8.8
15 1 2 1 16.494 32.989 0.159 22.04 4 65.3 208.5
16 2 1 0 17.333 34.665 0.167 19.79 4 178.6 1399.8
17 2 1 -1 17.724 35.448 0.17 18.85 4 84.8 300.9
18 1 1 2 18.208 36.417 0.175 17.76 4 15.4 9.3
19 0 2 2 18.317 36.634 0.176 17.53 4 12.7 6.3
20 0 3 1 19.157 38.314 0.183 15.88 4 134.5 637.2
21 1 2 -2 19.183 38.366 0.184 15.83 4 34.6 42.1
22 1 3 0 19.64 39.28 0.188 15.03 4 71.8 172.1
23 2 1 1 19.685 39.371 0.188 14.95 4 39.9 52.8
24 2 0 -2 19.81 39.621 0.189 14.74 2 127.2 264.7
25 2 2 0 20.257 40.515 0.194 14.03 4 18.5 10.6
26 1 3 -1 20.451 40.902 0.195 13.74 4 15.6 7.4
27 2 2 -1 20.601 41.202 0.197 13.51 4 111.5 372.9
28 2 1 -2 20.725 41.45 0.198 13.33 4 6.8 1.4
29 1 2 2 21.029 42.057 0.201 12.91 4 134.0 514.2
30 1 3 1 21.345 42.69 0.203 12.48 4 3.0 0.2
31 1 0 -3 21.377 42.754 0.204 12.44 2 110.3 168.0
32 0 1 3 21.91 43.819 0.209 11.77 4 34.4 30.8
33 1 1 -3 22.239 44.477 0.212 11.38 4 139.4 490.7
34 2 2 1 22.35 44.699 0.213 11.26 4 58.3 84.9
35 0 3 2 22.838 45.676 0.217 10.72 4 42.4 42.7
36 2 2 -2 23.292 46.585 0.221 10.25 4 24.8 14.0
37 2 0 2 23.299 46.599 0.221 10.25 2 89.4 90.9
38 1 3 -2 23.566 47.132 0.223 9.98 4 93.6 194.1
39 1 0 3 23.893 47.787 0.226 9.68 2 160.2 275.7
40 0 4 0 24.043 48.086 0.228 9.54 2 196.0 406.7
41 2 1 2 24.107 48.214 0.228 9.48 4 29.8 18.6
42 0 2 3 24.378 48.755 0.231 9.25 4 30.1 18.6
43 2 3 0 24.484 48.967 0.232 9.15 4 82.5 138.2
44 1 2 -3 24.681 49.362 0.233 8.99 4 15.0 4.5
45 1 1 3 24.686 49.372 0.233 8.98 4 75.0 112.1
46 3 0 -1 24.735 49.471 0.234 8.94 2 39.4 15.4
47 2 3 -1 24.78 49.56 0.234 8.91 4 61.7 75.3
48 0 4 1 25.127 50.255 0.237 8.63 4 15.0 4.3
49 1 3 2 25.152 50.303 0.238 8.61 4 7.8 1.2
50 3 1 -1 25.509 51.017 0.241 8.34 4 32.8 19.9
51 1 4 0 25.518 51.037 0.241 8.33 4 1.6 0.0
52 2 1 -3 25.58 51.16 0.241 8.29 4 28.5 14.9
53 3 1 0 25.603 51.205 0.242 8.27 4 66.8 81.9
54 1 4 -1 26.184 52.369 0.247 7.86 4 73.6 94.3
55 2 3 1 26.311 52.623 0.248 7.77 4 56.3 54.7
56 2 2 2 26.418 52.835 0.249 7.7 4 63.5 68.8
57 1 4 1 26.929 53.858 0.253 7.37 4 2.2 0.1
58 1 2 3 26.961 53.921 0.253 7.35 4 32.9 17.6
59 3 0 1 27.012 54.023 0.254 7.32 2 133.6 145.0
60 2 3 -2 27.15 54.3 0.255 7.23 4 10.3 1.7
61 3 1 -2 27.472 54.944 0.258 7.04 4 1.0 0.0
62 3 2 -1 27.735 55.47 0.26 6.89 4 24.0 8.8
63 3 1 1 27.74 55.479 0.26 6.89 4 25.6 10.0
64 2 2 -3 27.802 55.605 0.261 6.85 4 53.1 42.8
65 3 2 0 27.824 55.647 0.261 6.84 4 59.3 53.3
66 0 3 3 28.126 56.253 0.264 6.68 4 14.2 3.0
67 0 4 2 28.197 56.395 0.264 6.64 4 47.1 32.7
68 1 3 -3 28.401 56.802 0.266 6.53 4 49.1 35.0
69 0 0 4 28.596 57.192 0.268 6.43 2 57.6 23.7
70 1 4 -2 28.826 57.651 0.27 6.32 4 4.8 0.3
71 1 1 -4 29.217 58.435 0.273 6.13 4 28.3 10.9
72 0 1 4 29.298 58.596 0.274 6.09 4 17.2 4.0
73 3 2 -2 29.597 59.195 0.276 5.95 4 60.4 48.2
74 2 4 0 29.627 59.253 0.276 5.94 4 6.9 0.6
75 3 2 1 29.852 59.705 0.278 5.84 4 40.8 21.6
76 2 4 -1 29.887 59.774 0.279 5.82 4 75.6 73.9
77 2 1 3 29.921 59.842 0.279 5.81 4 32.1 13.2
78 2 3 2 29.988 59.976 0.279 5.78 4 6.8 0.6
79 1 4 2 30.215 60.43 0.281 5.68 4 83.2 87.3
80 1 3 3 30.489 60.978 0.284 5.57 4 26.8 8.9
81 3 0 -3 30.555 61.11 0.284 5.54 2 145.4 130.0
82 2 0 -4 31.04 62.08 0.288 5.35 2 9.2 0.5
83 3 3 -1 31.207 62.413 0.29 5.29 4 14.5 2.5
84 3 1 -3 31.23 62.459 0.29 5.28 4 73.9 64.0
85 2 4 1 31.248 62.496 0.29 5.27 4 33.3 13.0
86 1 2 -4 31.267 62.534 0.29 5.27 4 170.2 338.6
87 2 3 -3 31.269 62.539 0.29 5.27 4 67.3 52.9
88 3 3 0 31.289 62.578 0.29 5.26 4 57.0 37.9
89 0 2 4 31.344 62.689 0.291 5.24 4 4.2 0.2
90 0 5 1 31.544 63.087 0.292 5.17 4 16.5 3.1
91 3 1 2 31.641 63.281 0.293 5.13 4 112.9 145.1
92 2 1 -4 31.709 63.417 0.294 5.11 4 15.5 2.7
93 1 5 0 31.882 63.764 0.295 5.05 4 39.3 17.3
94 1 1 4 31.939 63.877 0.296 5.03 4 99.1 109.5
95 2 2 3 31.944 63.888 0.296 5.03 4 4.4 0.2
96 2 4 -2 32.003 64.005 0.296 5.01 4 114.5 145.5
97 1 5 -1 32.461 64.923 0.3 4.85 4 31.3 10.5
98 0 4 3 32.889 65.777 0.304 4.72 4 26.0 7.1
99 3 3 -2 32.949 65.897 0.304 4.7 4 8.9 0.8
100 1 5 1 33.116 66.231 0.305 4.65 4 102.8 108.9
101 1 4 -3 33.139 66.279 0.306 4.64 4 84.3 73.3
102 3 3 1 33.189 66.377 0.306 4.63 4 8.0 0.7
103 3 2 -3 33.207 66.413 0.306 4.62 4 32.7 10.9
104 3 2 2 33.605 67.21 0.309 4.51 4 45.1 20.3
105 2 2 -4 33.671 67.341 0.31 4.49 4 24.0 5.7
106 1 2 4 33.894 67.787 0.312 4.43 4 20.1 4.0
107 4 0 0 34.051 68.102 0.313 4.39 2 160.6 125.5
108 0 5 2 34.243 68.486 0.315 4.33 4 115.2 127.5
109 4 1 -1 34.292 68.583 0.315 4.32 4 85.8 70.6
110 1 3 -4 34.527 69.055 0.317 4.26 4 21.9 4.5
111 2 4 2 34.6 69.199 0.317 4.24 4 49.5 23.0
112 0 3 4 34.601 69.202 0.317 4.24 4 27.3 7.0
113 4 1 0 34.689 69.378 0.318 4.22 4 2.3 0.1
114 1 5 -2 34.808 69.615 0.319 4.19 4 37.0 12.7
115 4 0 -2 35.013 70.027 0.321 4.14 2 47.8 10.5
116 1 4 3 35.064 70.129 0.321 4.13 4 123.0 138.5
117 2 3 3 35.172 70.343 0.322 4.1 4 7.1 0.5
118 2 5 0 35.532 71.065 0.325 4.02 4 158.4 223.9
119 4 1 -2 35.643 71.287 0.326 4.0 4 104.8 97.3
120 3 4 -1 35.734 71.467 0.326 3.98 4 9.9 0.9
121 2 5 -1 35.769 71.539 0.327 3.97 4 40.8 14.7
122 2 4 -3 35.792 71.585 0.327 3.96 4 49.7 21.8
123 3 4 0 35.811 71.621 0.327 3.96 4 56.8 28.3
124 1 5 2 36.069 72.137 0.329 3.9 4 28.4 7.0
125 4 2 -1 36.184 72.368 0.33 3.88 4 92.7 73.9
126 2 0 4 36.215 72.429 0.33 3.87 2 67.4 19.5
127 1 0 -5 36.364 72.729 0.331 3.84 2 92.3 36.4
128 3 3 -3 36.38 72.759 0.332 3.84 4 26.5 6.0
129 3 0 3 36.392 72.783 0.332 3.84 2 117.5 58.8
130 3 1 -4 36.478 72.955 0.332 3.82 4 118.6 119.3
131 4 2 0 36.573 73.145 0.333 3.8 4 21.2 3.8
132 3 3 2 36.762 73.524 0.335 3.77 4 142.8 170.3
133 4 1 1 36.811 73.622 0.335 3.76 4 23.1 4.4
134 2 3 -4 36.825 73.651 0.335 3.75 4 2.5 0.1
135 2 1 4 36.836 73.672 0.335 3.75 4 18.5 2.9
136 1 1 -5 36.985 73.97 0.336 3.72 4 77.8 50.0
137 3 1 3 37.012 74.024 0.337 3.72 4 127.8 134.7
138 2 5 1 37.017 74.034 0.337 3.72 4 23.6 4.6
139 1 3 4 37.04 74.08 0.337 3.71 4 116.0 110.9
140 0 1 5 37.366 74.731 0.339 3.65 4 59.3 28.5
141 3 4 -2 37.372 74.744 0.339 3.65 4 56.8 26.1
142 4 2 -2 37.507 75.014 0.34 3.63 4 7.1 0.4
143 3 4 1 37.599 75.199 0.341 3.61 4 97.7 76.6
144 0 6 0 37.672 75.344 0.342 3.6 2 110.0 48.3
145 2 5 -2 37.715 75.431 0.342 3.59 4 55.6 24.6
146 3 2 -4 38.326 76.652 0.347 3.49 4 13.3 1.4
147 0 6 1 38.517 77.033 0.348 3.46 4 36.2 10.1
148 0 5 3 38.541 77.083 0.348 3.46 4 28.5 6.2
149 4 2 1 38.654 77.307 0.349 3.44 4 48.3 17.8
150 4 1 -3 38.668 77.336 0.349 3.44 4 13.5 1.4
151 2 2 4 38.678 77.356 0.349 3.44 4 26.0 5.2
152 1 5 -3 38.776 77.553 0.35 3.42 4 129.4 127.1
153 1 2 -5 38.825 77.649 0.35 3.42 4 30.2 6.9
154 1 6 0 38.826 77.653 0.35 3.41 4 1.0 0.0
155 3 2 3 38.851 77.702 0.351 3.41 4 16.8 2.1
156 1 4 -4 38.873 77.747 0.351 3.41 4 72.0 39.2
157 2 1 -5 38.923 77.845 0.351 3.4 4 35.6 9.5
158 0 4 4 38.944 77.887 0.351 3.4 4 17.3 2.2
159 0 2 5 39.199 78.399 0.353 3.36 4 44.3 14.6
160 4 3 -1 39.256 78.512 0.354 3.35 4 115.5 99.2
161 1 6 -1 39.36 78.721 0.355 3.34 4 33.8 8.4
162 1 0 5 39.438 78.877 0.355 3.33 2 32.6 3.9
163 2 4 3 39.49 78.981 0.355 3.32 4 34.6 8.8
164 4 3 0 39.634 79.269 0.357 3.3 4 21.6 3.4
165 4 0 2 39.954 79.908 0.359 3.26 2 35.6 4.6
166 1 6 1 39.966 79.933 0.359 3.26 4 65.5 31.0
167 1 1 5 40.043 80.086 0.36 3.25 4 64.8 30.3
168 2 5 2 40.153 80.307 0.36 3.24 4 6.3 0.3
169 4 2 -3 40.484 80.968 0.363 3.2 4 94.4 63.2
170 4 3 -2 40.546 81.093 0.363 3.19 4 29.7 6.2
171 4 1 2 40.557 81.113 0.363 3.19 4 29.4 6.1
172 1 5 3 40.595 81.19 0.364 3.18 4 69.3 33.9
173 3 4 -3 40.653 81.307 0.364 3.18 4 98.9 69.0
174 2 2 -5 40.736 81.471 0.365 3.17 4 33.1 7.7
175 0 6 2 41.02 82.04 0.367 3.14 4 10.9 0.8
176 3 4 2 41.023 82.047 0.367 3.14 4 36.7 9.4
177 2 4 -4 41.085 82.169 0.367 3.13 4 17.8 2.2
178 3 5 -1 41.233 82.467 0.368 3.11 4 26.9 5.0
179 2 5 -3 41.289 82.579 0.369 3.11 4 7.9 0.4
180 1 4 4 41.292 82.585 0.369 3.11 4 27.7 5.3
181 3 5 0 41.307 82.614 0.369 3.11 4 22.9 3.6
182 3 3 -4 41.348 82.697 0.369 3.1 4 140.9 136.6
183 1 6 -2 41.552 83.103 0.371 3.08 4 26.4 4.8
184 4 3 1 41.67 83.34 0.372 3.07 4 30.4 6.3
185 2 3 4 41.694 83.388 0.372 3.07 4 25.0 4.3
186 1 3 -5 41.838 83.676 0.373 3.05 4 37.7 9.6
187 1 2 5 41.844 83.689 0.373 3.05 4 7.3 0.4
188 3 3 3 41.864 83.728 0.373 3.05 4 45.7 14.1
189 0 3 5 42.207 84.413 0.376 3.02 4 98.6 65.1
190 2 6 0 42.238 84.476 0.376 3.02 4 18.5 2.3
191 4 2 2 42.354 84.708 0.377 3.01 4 16.8 1.9
192 2 6 -1 42.464 84.927 0.377 3.0 4 73.5 35.9
193 3 0 -5 42.495 84.99 0.378 2.99 2 138.8 64.0
194 4 0 -4 42.674 85.347 0.379 2.98 2 17.9 1.1
195 1 6 2 42.749 85.498 0.379 2.97 4 82.5 45.0
196 3 5 -2 42.81 85.619 0.38 2.97 4 29.6 5.8
197 3 5 1 43.03 86.059 0.381 2.95 4 45.6 13.6
198 3 1 -5 43.091 86.182 0.382 2.95 4 57.5 21.7
199 4 1 -4 43.269 86.539 0.383 2.93 4 43.3 12.2
200 4 4 -1 43.455 86.91 0.384 2.92 4 40.5 10.6
201 4 3 -3 43.474 86.948 0.385 2.92 4 58.6 22.3
202 2 6 1 43.658 87.316 0.386 2.91 4 68.6 30.4
203 2 3 -5 43.723 87.446 0.386 2.9 4 74.5 35.8
204 3 1 4 43.751 87.501 0.387 2.9 4 18.1 2.1
205 5 0 -1 43.751 87.502 0.387 2.9 2 32.9 3.5
206 4 4 0 43.826 87.653 0.387 2.9 4 115.6 85.8
207 1 5 -4 44.27 88.54 0.39 2.87 4 22.9 3.3
208 2 6 -2 44.332 88.665 0.391 2.86 4 80.1 40.8
209 0 5 4 44.338 88.677 0.391 2.86 4 45.7 13.3
210 5 1 -1 44.346 88.692 0.391 2.86 4 19.7 2.5
211 4 4 -2 44.725 89.451 0.393 2.84 4 58.6 21.7
212 1 3 5 44.823 89.646 0.394 2.84 4 36.1 8.2
213 2 5 3 44.874 89.748 0.394 2.83 4 31.7 6.3
214 3 2 -5 44.876 89.751 0.394 2.83 4 36.3 8.3
215 2 1 5 44.925 89.85 0.395 2.83 4 36.5 8.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 9.041 18.082 5.69216 1964.1 100.0 100.0 5.6
2 1 0 -1 9.756 19.512 5.27845 329.1 16.8 16.7 5.6
3 1 0 1 11.406 22.813 4.52279 202.6 10.3 10.3 5.6
4 0 2 0 11.754 23.508 4.3908 228.3 11.6 11.6 5.6
5 1 1 1 12.853 25.707 4.02085 533.3 27.2 27.0 5.6
6 0 2 1 13.666 27.331 3.78598 669.6 34.1 33.9 5.6
7 0 0 2 13.846 27.692 3.73757 101.8 5.2 5.1 5.6
8 0 1 2 15.075 30.151 3.43904 933.6 47.5 47.1 5.6
9 1 1 -2 16.094 32.187 3.22665 309.6 15.8 15.6 5.6
10 1 2 1 16.494 32.989 3.15039 208.5 10.6 10.5 5.6
11 2 1 0 17.333 34.665 3.00235 1399.8 71.3 70.4 5.7
12 2 1 -1 17.724 35.448 2.93815 300.9 15.3 15.1 5.7
13 0 3 1 19.157 38.314 2.72567 679.3 34.6 34.0 5.7
14 1 3 0 19.64 39.28 2.66124 172.1 8.8 8.6 5.7
15 2 1 1 19.685 39.371 2.65533 52.8 2.7 2.6 5.7
16 2 0 -2 19.81 39.621 2.63923 264.7 13.5 13.2 5.7
17 2 2 -1 20.601 41.202 2.54213 372.9 19.0 18.6 5.7
18 1 2 2 21.029 42.057 2.49267 514.2 26.2 25.7 5.7
19 1 0 -3 21.377 42.754 2.45392 168.0 8.6 8.4 5.7
20 0 1 3 21.91 43.819 2.39709 30.8 1.6 1.5 5.7
21 1 1 -3 22.239 44.477 2.36338 490.7 25.0 24.4 5.7
22 2 2 1 22.35 44.699 2.35225 84.9 4.3 4.2 5.7
23 0 3 2 22.838 45.676 2.30454 42.7 2.2 2.1 5.7
24 2 0 2 23.299 46.599 2.2614 104.9 5.3 5.2 5.7
25 1 3 -2 23.566 47.132 2.23725 194.1 9.9 9.6 5.7
26 1 0 3 23.893 47.787 2.20836 275.7 14.0 13.7 5.7
27 0 4 0 24.043 48.086 2.1954 406.7 20.7 20.2 5.7
28 2 3 0 24.484 48.967 2.15828 138.2 7.0 6.8 5.7
29 1 1 3 24.686 49.372 2.14167 116.6 5.9 5.8 5.7
30 2 3 -1 24.78 49.56 2.13406 75.3 3.8 3.7 5.7
31 3 1 -1 25.509 51.017 2.07702 19.9 1.0 1.0 5.8
32 3 1 0 25.603 51.205 2.0699 96.8 4.9 4.8 5.8
33 1 4 -1 26.184 52.369 2.02706 94.3 4.8 4.7 5.8
34 2 3 1 26.311 52.623 2.01797 54.7 2.8 2.7 5.8
35 2 2 2 26.418 52.835 2.01042 68.8 3.5 3.4 5.8
36 3 0 1 27.012 54.023 1.96943 145.0 7.4 7.1 5.8
37 3 2 0 27.824 55.647 1.91635 96.2 4.9 4.7 5.8
38 0 4 2 28.197 56.395 1.89299 32.7 1.7 1.6 5.8
39 1 3 -3 28.401 56.802 1.88054 35.0 1.8 1.7 5.8
40 0 0 4 28.596 57.192 1.86879 23.7 1.2 1.2 5.8
41 3 2 -2 29.597 59.195 1.81101 48.2 2.5 2.4 5.8
42 3 2 1 29.852 59.705 1.79695 21.6 1.1 1.1 5.8
43 2 4 -1 29.887 59.774 1.79504 73.9 3.8 3.6 5.8
44 1 4 2 30.215 60.43 1.77737 87.3 4.4 4.3 5.8
45 3 0 -3 30.555 61.11 1.75948 130.0 6.6 6.3 5.8
46 3 1 -3 31.23 62.459 1.7252 66.5 3.4 3.2 5.8
47 2 3 -3 31.269 62.539 1.72322 442.3 22.5 21.5 5.8
48 3 1 2 31.641 63.281 1.70506 145.1 7.4 7.0 5.9
49 1 1 4 31.939 63.877 1.69082 109.7 5.6 5.3 5.9
50 2 4 -2 32.003 64.005 1.6878 145.5 7.4 7.1 5.9
51 1 5 1 33.116 66.231 1.63721 182.2 9.3 8.8 5.9
52 3 2 2 33.605 67.21 1.61612 20.3 1.0 1.0 5.9
53 4 0 0 34.051 68.102 1.59744 125.5 6.4 6.0 5.9
54 0 5 2 34.243 68.486 1.58957 127.5 6.5 6.1 5.9
55 4 1 -1 34.292 68.583 1.5876 70.6 3.6 3.4 5.9
56 2 4 2 34.6 69.199 1.5752 30.1 1.5 1.4 5.9
57 1 4 3 35.064 70.129 1.55694 138.5 7.1 6.6 5.9
58 2 5 0 35.532 71.065 1.53909 223.9 11.4 10.7 5.9
59 4 1 -2 35.643 71.287 1.53492 97.3 5.0 4.7 5.9
60 2 4 -3 35.792 71.585 1.52939 64.7 3.3 3.1 5.9
61 4 2 -1 36.184 72.368 1.51506 73.9 3.8 3.5 5.9
62 3 0 3 36.392 72.783 1.5076 101.1 5.1 4.8 6.0
63 3 1 -4 36.478 72.955 1.50454 119.3 6.1 5.7 6.0
64 3 3 2 36.762 73.524 1.49452 170.3 8.7 8.1 6.0
65 3 1 3 37.012 74.024 1.48586 300.3 15.3 14.3 6.0
66 0 1 5 37.366 74.731 1.47382 54.7 2.8 2.6 6.0
67 3 4 1 37.599 75.199 1.466 76.6 3.9 3.6 6.0
68 0 6 0 37.672 75.344 1.4636 48.3 2.5 2.3 6.0
69 2 5 -2 37.715 75.431 1.46216 24.6 1.3 1.2 6.0
70 4 2 1 38.654 77.307 1.43203 24.4 1.2 1.2 6.0
71 1 5 -3 38.776 77.553 1.42821 127.1 6.5 6.0 6.0
72 1 4 -4 38.873 77.747 1.4252 39.2 2.0 1.9 6.0
73 4 3 -1 39.256 78.512 1.41352 99.2 5.1 4.7 6.0
74 1 6 1 39.966 79.933 1.3925 35.6 1.8 1.7 6.0
75 1 1 5 40.043 80.086 1.39029 30.3 1.5 1.4 6.0
76 4 2 -3 40.484 80.968 1.37771 63.2 3.2 3.0 6.1
77 1 5 3 40.595 81.19 1.3746 33.9 1.7 1.6 6.1
78 3 4 -3 40.653 81.307 1.37296 69.0 3.5 3.2 6.1
79 3 3 -4 41.348 82.697 1.35394 136.6 7.0 6.4 6.1
80 3 3 3 41.864 83.728 1.34028 24.1 1.2 1.1 6.1
81 0 3 5 42.207 84.413 1.33143 65.1 3.3 3.0 6.1
82 2 6 -1 42.464 84.927 1.32488 35.9 1.8 1.7 6.1
83 3 0 -5 42.495 84.99 1.3241 64.0 3.3 3.0 6.1
84 1 6 2 42.749 85.498 1.31773 45.0 2.3 2.1 6.1
85 3 1 -5 43.091 86.182 1.3093 21.7 1.1 1.0 6.1
86 4 3 -3 43.474 86.948 1.30004 32.9 1.7 1.5 6.1
87 2 6 1 43.658 87.316 1.29566 30.4 1.5 1.4 6.2
88 2 3 -5 43.723 87.446 1.29412 41.3 2.1 1.9 6.2
89 4 4 0 43.826 87.653 1.29169 85.8 4.4 4.0 6.2
90 2 6 -2 44.332 88.665 1.27996 56.6 2.9 2.6 6.2
91 4 4 -2 44.725 89.451 1.27107 21.7 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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