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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NICKELAUSTINITE
1, f-adamite
Ca(Ni,Zn)[AsO(4)](OH)
Orthorhombic P 2(1)2(1)2(1) Z = 4
R =0.068
6 .4 .1990
Ref.Str.:
F.P.Cesbron, D.Ginderow et all. (1987)
* Canad. Mineral., 25, 401-407
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.455 alpha = 90.0
b = 8.955 beta = 90.0
c = 5.916 gamma = 90.0
Unit cell volume (cub. angs.) = 394.95
Molar volume ( cub.cm/mol.) = 59.47
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3687 0.1704 0.4761 0.0 Ca = 1.00
2 0.2405 0.5049 0.2558 0.0 Ni = 1.00
3 0.1182 0.1812 0.0165 0.0 As = 1.00
4 0.9451 0.0627 0.9894 0.0 O = 1.00
5 0.2839 0.0668 0.0842 0.0 O = 1.00
6 0.1463 0.2749 0.7678 0.0 O = 1.00
7 0.1024 0.296 0.243 0.0 O = 1.00
8 0.3978 0.4255 0.4967 0.0 O = 1.00
9 0.475 0.971 0.01 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3687 0.1704 0.4761
2 2 0.2405 0.5049 0.2558
3 3 0.1182 0.1812 0.0165
4 4 0.9451 0.0627 0.9894
5 5 0.2839 0.0668 0.0842
6 6 0.1463 0.2749 0.7678
7 7 0.1024 0.296 0.243
8 8 0.3978 0.4255 0.4967
9 9 0.475 0.971 0.01
10 1 0.1313 0.8296 0.9761
11 2 0.2595 0.4951 0.7558
12 3 0.3818 0.8188 0.5165
13 4 0.5549 0.9373 0.4894
14 5 0.2161 0.9332 0.5842
15 6 0.3537 0.7251 0.2678
16 7 0.3976 0.704 0.743
17 8 0.1022 0.5745 0.9967
18 9 0.025 0.029 0.51
19 1 0.6313 0.6704 0.0239
20 2 0.7595 0.0049 0.2442
21 3 0.8818 0.6812 0.4835
22 4 0.0549 0.5627 0.5106
23 5 0.7161 0.5668 0.4158
24 6 0.8537 0.7749 0.7322
25 7 0.8976 0.796 0.257
26 8 0.6022 0.9255 0.0033
27 9 0.525 0.471 0.49
28 1 0.8687 0.3296 0.5239
29 2 0.7405 0.9951 0.7442
30 3 0.6182 0.3188 0.9835
31 4 0.4451 0.4373 0.0106
32 5 0.7839 0.4332 0.9158
33 6 0.6463 0.2251 0.2322
34 7 0.6024 0.204 0.757
35 8 0.8978 0.0745 0.5033
36 9 0.975 0.529 0.99
X-ray density (g/cm cub.) = 4.28
MU (1/cm) = 680.691 Mass attenuation coefficient (cm**2/g) = 158.959
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.576 5
2.5696 6
2.6661 7
2.2979 8
2.5081 4
2.493 5
2.57 6
2.4264 7
2 Ni 2.52 6
2.1366 7
1.9778 8
2.1461 6
1.9496 8
2.1106 4
2.1903 4
3 As 2.46 4
1.6784 4
1.654 5
1.7067 6
1.693 7
4 O 3.264 10
2.5875 5
2.7531 6
2.8268 7
3.0695 6
2.8872 7
2.8374 8
3.0233 6
3.1652 7
3.0624 8
2.8992 8
5 O 3.264 7
2.5875 4
2.8335 6
2.6318 7
3.2306 5
3.2306 5
2.7315 8
3.1742 6
6 O 3.264 10
2.7531 4
2.8335 5
2.8366 7
3.1276 7
2.8118 8
3.0232 8
3.0695 4
3.0233 4
3.1742 5
3.0168 8
7 O 3.264 9
2.8268 4
2.6318 5
3.1276 6
2.8366 6
2.9064 8
2.8884 8
2.8872 4
3.1652 4
2.9381 8
8 O 3.264 10
2.8118 6
2.9064 7
3.0232 6
2.8884 7
2.8374 4
2.7315 5
3.0624 4
2.8992 4
3.0168 6
2.9381 7
9 H 1.632 1
1.0329 8
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 1 0 7.726 15.453 0.087 107.7 4 40.3 449.5
2 0 1 1 8.978 17.955 0.101 79.2 4 57.2 665.4
3 1 0 1 9.568 19.136 0.108 69.47 4 7.3 9.5
4 0 2 0 9.906 19.812 0.112 64.66 2 14.9 18.5
5 1 1 1 10.787 21.574 0.121 54.2 8 54.3 818.8
6 1 2 0 11.577 23.153 0.13 46.78 4 40.9 201.1
7 2 0 0 11.926 23.852 0.134 43.95 2 74.3 311.2
8 0 2 1 12.46 24.919 0.14 40.1 4 24.1 59.8
9 2 1 0 12.934 25.869 0.145 37.06 4 69.7 461.7
10 1 2 1 13.84 27.681 0.155 32.11 8 37.5 232.0
11 2 0 1 14.137 28.275 0.159 30.69 4 171.1 2303.2
12 2 1 1 15.008 30.016 0.168 27.02 8 17.8 43.7
13 0 0 2 15.094 30.188 0.169 26.69 2 97.3 324.0
14 2 2 0 15.598 31.196 0.175 24.87 4 77.7 385.1
15 0 1 2 15.917 31.834 0.178 23.81 4 23.9 34.8
16 1 3 0 16.139 32.278 0.18 23.1 4 169.8 1708.3
17 1 0 2 16.269 32.539 0.182 22.71 4 13.4 10.5
18 0 3 1 16.8 33.601 0.188 21.18 4 9.6 5.0
19 1 1 2 17.041 34.083 0.19 20.53 8 125.7 1665.0
20 2 2 1 17.383 34.765 0.194 19.66 8 105.8 1128.2
21 1 3 1 17.876 35.751 0.199 18.5 8 107.7 1099.8
22 0 2 2 18.186 36.372 0.203 17.81 4 91.9 385.5
23 3 1 0 18.765 37.53 0.209 16.62 4 66.0 185.8
24 1 2 2 19.193 38.387 0.213 15.82 8 64.1 333.6
25 2 3 0 19.305 38.61 0.215 15.61 4 97.1 377.4
26 2 0 2 19.417 38.834 0.216 15.42 4 92.3 336.5
27 3 0 1 19.646 39.292 0.218 15.02 4 5.3 1.1
28 2 1 2 20.083 40.167 0.223 14.3 8 26.2 50.4
29 0 4 0 20.125 40.25 0.223 14.24 2 52.7 50.6
30 3 1 1 20.306 40.612 0.225 13.96 8 30.7 67.3
31 3 2 0 20.763 41.527 0.23 13.28 4 12.5 5.3
32 2 3 1 20.813 41.625 0.231 13.21 8 10.9 8.1
33 1 4 0 21.054 42.108 0.233 12.87 4 19.0 11.9
34 0 3 2 21.507 43.013 0.238 12.27 4 6.5 1.3
35 0 4 1 21.585 43.17 0.239 12.17 4 6.6 1.4
36 2 2 2 21.982 43.964 0.243 11.68 8 80.2 385.0
37 3 2 1 22.189 44.378 0.245 11.44 8 28.8 48.6
38 1 3 2 22.389 44.778 0.247 11.21 8 45.7 120.1
39 1 4 1 22.465 44.929 0.248 11.13 8 5.5 1.7
40 0 1 3 23.576 47.152 0.26 9.97 4 27.8 19.8
41 2 4 0 23.663 47.326 0.261 9.89 4 67.4 115.4
42 3 3 0 23.786 47.573 0.262 9.78 4 31.9 25.5
43 1 0 3 23.831 47.662 0.262 9.73 4 11.5 3.3
44 3 0 2 23.881 47.762 0.263 9.69 4 1.2 0.0
45 1 1 3 24.4 48.799 0.268 9.23 8 62.6 185.4
46 4 0 0 24.412 48.824 0.268 9.22 2 105.0 130.4
47 3 1 2 24.448 48.897 0.269 9.18 8 53.5 134.9
48 2 3 2 24.887 49.775 0.273 8.82 8 26.9 32.7
49 2 4 1 24.957 49.915 0.274 8.76 8 39.6 70.3
50 4 1 0 24.971 49.941 0.274 8.75 4 16.2 5.9
51 3 3 1 25.076 50.152 0.275 8.67 8 97.1 419.4
52 0 2 3 25.266 50.531 0.277 8.52 4 49.7 54.0
53 0 4 2 25.563 51.126 0.28 8.3 4 125.1 333.1
54 4 0 1 25.678 51.357 0.281 8.21 4 10.1 2.2
55 1 2 3 26.049 52.098 0.285 7.95 8 25.6 26.6
56 3 2 2 26.096 52.192 0.286 7.92 8 12.7 6.5
57 4 1 1 26.217 52.434 0.287 7.83 8 33.4 44.7
58 2 0 3 26.225 52.451 0.287 7.83 4 127.3 325.5
59 1 5 0 26.252 52.504 0.287 7.81 4 11.1 2.5
60 1 4 2 26.34 52.68 0.288 7.75 8 25.1 25.0
61 4 2 0 26.594 53.189 0.291 7.58 4 173.4 585.0
62 0 5 1 26.703 53.405 0.292 7.51 4 7.0 1.0
63 2 1 3 26.756 53.513 0.292 7.48 8 15.1 8.7
64 1 5 1 27.457 54.914 0.299 7.05 8 77.2 215.6
65 3 4 0 27.588 55.175 0.301 6.98 4 15.8 4.4
66 4 2 1 27.789 55.579 0.303 6.86 8 4.3 0.7
67 0 3 3 27.914 55.829 0.304 6.79 4 15.9 4.4
68 2 2 3 28.308 56.616 0.308 6.58 8 67.1 151.9
69 2 5 0 28.5 56.999 0.31 6.48 4 23.8 9.4
70 2 4 2 28.583 57.166 0.311 6.44 8 72.3 172.5
71 1 3 3 28.647 57.295 0.311 6.41 8 88.1 254.9
72 3 3 2 28.691 57.382 0.312 6.38 8 175.0 1003.1
73 3 4 1 28.755 57.509 0.312 6.35 8 49.8 80.8
74 4 3 0 29.159 58.319 0.316 6.15 4 12.5 2.5
75 4 0 2 29.242 58.483 0.317 6.12 4 162.8 415.5
76 2 5 1 29.643 59.287 0.321 5.93 8 13.2 5.3
77 4 1 2 29.736 59.472 0.322 5.89 8 15.4 7.2
78 3 0 3 29.911 59.822 0.324 5.81 4 10.4 1.6
79 0 5 2 30.184 60.368 0.326 5.7 4 5.3 0.4
80 4 3 1 30.287 60.575 0.327 5.65 8 49.7 71.6
81 3 1 3 30.399 60.798 0.328 5.61 8 29.5 25.1
82 2 3 3 30.779 61.558 0.332 5.45 8 5.1 0.7
83 1 5 2 30.883 61.765 0.333 5.41 8 145.3 586.0
84 0 6 0 31.071 62.142 0.335 5.34 2 130.3 116.3
85 4 2 2 31.191 62.383 0.336 5.29 8 9.6 2.5
86 0 4 3 31.368 62.736 0.338 5.23 4 44.3 26.3
87 0 0 4 31.387 62.773 0.338 5.22 2 219.8 323.5
88 5 1 0 31.583 63.166 0.34 5.15 4 94.4 117.8
89 1 6 0 31.759 63.517 0.342 5.09 4 21.7 6.2
90 3 2 3 31.836 63.673 0.342 5.06 8 38.2 37.9
91 0 1 4 31.861 63.723 0.343 5.05 4 2.2 0.1
92 3 5 0 32.015 64.031 0.344 5.0 4 128.9 213.2
93 1 4 3 32.052 64.104 0.344 4.99 8 24.5 15.4
94 1 0 4 32.07 64.141 0.345 4.98 4 28.1 10.1
95 3 4 2 32.093 64.186 0.345 4.97 8 39.1 38.9
96 0 6 1 32.159 64.318 0.346 4.95 4 16.6 3.5
97 5 0 1 32.193 64.386 0.346 4.94 4 5.2 0.3
98 4 4 0 32.532 65.064 0.349 4.83 4 73.8 67.4
99 1 1 4 32.54 65.079 0.349 4.83 8 57.5 81.8
100 5 1 1 32.661 65.323 0.35 4.79 8 39.1 37.5
101 1 6 1 32.834 65.668 0.352 4.74 8 31.1 23.5
102 2 5 2 32.928 65.856 0.353 4.71 8 40.5 39.6
103 5 2 0 32.991 65.982 0.353 4.69 4 43.6 22.8
104 3 5 1 33.086 66.172 0.354 4.66 8 70.4 118.3
105 0 2 4 33.263 66.527 0.356 4.61 4 21.5 5.5
106 4 3 2 33.536 67.072 0.359 4.53 8 23.3 12.6
107 4 4 1 33.594 67.188 0.359 4.51 8 21.5 10.7
108 2 6 0 33.775 67.55 0.361 4.46 4 49.4 27.9
109 1 2 4 33.927 67.854 0.362 4.42 8 32.6 24.1
110 5 2 1 34.046 68.092 0.363 4.39 8 26.2 15.4
111 2 4 3 34.06 68.119 0.364 4.38 8 38.1 32.7
112 2 0 4 34.077 68.155 0.364 4.38 4 28.8 9.3
113 3 3 3 34.157 68.315 0.364 4.36 8 81.8 149.7
114 2 1 4 34.533 69.065 0.368 4.26 8 50.2 55.1
115 4 0 3 34.658 69.315 0.369 4.23 4 0.3 0.0
116 2 6 1 34.818 69.637 0.371 4.19 8 106.2 242.5
117 4 1 3 35.11 70.219 0.373 4.12 8 23.5 11.7
118 5 3 0 35.274 70.547 0.375 4.08 4 15.5 2.5
119 0 6 2 35.315 70.631 0.375 4.07 4 31.2 10.2
120 5 0 2 35.348 70.696 0.376 4.06 4 8.1 0.7
121 0 5 3 35.52 71.04 0.377 4.02 4 13.5 1.9
122 0 3 4 35.537 71.075 0.377 4.02 4 10.9 1.2
123 5 1 2 35.796 71.592 0.38 3.96 8 24.3 12.0
124 2 2 4 35.883 71.765 0.38 3.94 8 57.1 66.0
125 1 6 2 35.961 71.922 0.381 3.93 8 53.8 58.4
126 1 5 3 36.164 72.329 0.383 3.88 8 65.1 84.4
127 1 3 4 36.182 72.363 0.383 3.88 8 118.0 277.3
128 3 5 2 36.203 72.406 0.383 3.88 8 48.0 45.7
129 5 3 1 36.298 72.595 0.384 3.86 8 83.0 136.2
130 4 2 3 36.45 72.9 0.386 3.83 8 34.2 23.0
131 4 5 0 36.618 73.236 0.387 3.79 4 22.1 4.7
132 4 4 2 36.691 73.382 0.388 3.78 8 12.0 2.8
133 3 6 0 37.016 74.031 0.391 3.72 4 0.4 0.0
134 5 2 2 37.126 74.253 0.392 3.7 8 52.7 52.7
135 3 4 3 37.289 74.578 0.393 3.67 8 38.3 27.6
136 3 0 4 37.306 74.612 0.393 3.66 4 4.0 0.2
137 4 5 1 37.627 75.255 0.396 3.61 8 24.1 10.7
138 1 7 0 37.656 75.312 0.397 3.6 4 30.3 8.5
139 3 1 4 37.745 75.49 0.397 3.59 8 72.5 96.8
140 2 6 2 37.872 75.744 0.398 3.57 8 44.9 36.9
141 3 6 1 38.021 76.042 0.4 3.54 8 25.6 11.9
142 0 7 1 38.027 76.054 0.4 3.54 4 44.5 18.0
143 2 5 3 38.072 76.143 0.4 3.53 8 19.6 7.0
144 2 3 4 38.088 76.177 0.4 3.53 8 49.5 44.4
145 6 0 0 38.312 76.624 0.402 3.49 2 75.1 25.2
146 5 4 0 38.368 76.736 0.403 3.48 4 8.1 0.6
147 0 4 4 38.624 77.247 0.405 3.45 4 35.8 11.3
148 4 3 3 38.644 77.288 0.405 3.44 8 32.3 18.4
149 1 7 1 38.656 77.311 0.405 3.44 8 9.1 1.5
150 6 1 0 38.747 77.494 0.406 3.43 4 52.7 24.4
151 3 2 4 39.051 78.103 0.409 3.38 8 20.3 7.1
152 1 4 4 39.249 78.498 0.411 3.35 8 13.8 3.3
153 6 0 1 39.307 78.613 0.411 3.35 4 139.2 166.2
154 5 3 2 39.307 78.615 0.411 3.35 8 118.6 241.2
155 5 4 1 39.362 78.724 0.412 3.34 8 10.8 2.0
156 2 7 0 39.538 79.076 0.413 3.31 4 32.4 8.9
157 6 1 1 39.738 79.477 0.415 3.29 8 31.8 17.0
158 6 2 0 40.044 80.087 0.418 3.25 4 50.0 20.8
159 0 6 3 40.335 80.669 0.42 3.21 4 12.5 1.3
160 5 0 3 40.366 80.732 0.42 3.21 4 22.4 4.1
161 2 7 1 40.524 81.049 0.422 3.19 8 12.1 2.4
162 4 5 2 40.605 81.21 0.422 3.18 8 21.4 7.5
163 5 1 3 40.795 81.59 0.424 3.16 8 39.4 25.1
164 1 6 3 40.954 81.907 0.425 3.14 8 24.3 9.5
165 3 6 2 40.991 81.981 0.426 3.14 8 27.2 11.9
166 0 7 2 40.997 81.993 0.426 3.14 4 12.5 1.2
167 6 2 1 41.027 82.054 0.426 3.14 8 47.3 36.0
168 0 1 5 41.047 82.093 0.426 3.13 4 35.5 10.1
169 2 4 4 41.111 82.222 0.427 3.13 8 69.5 77.4
170 3 5 3 41.186 82.372 0.427 3.12 8 65.2 67.9
171 3 3 4 41.203 82.405 0.428 3.12 8 22.2 7.9
172 1 0 5 41.236 82.472 0.428 3.11 4 8.5 0.6
173 4 6 0 41.391 82.781 0.429 3.1 4 46.8 17.4
174 1 7 2 41.614 83.227 0.431 3.07 8 44.7 31.5
175 4 4 3 41.656 83.312 0.431 3.07 8 41.3 26.9
176 1 1 5 41.663 83.326 0.431 3.07 8 49.2 38.1
177 4 0 4 41.673 83.345 0.432 3.07 4 79.1 49.2
178 5 2 3 42.077 84.153 0.435 3.03 8 24.6 9.4
179 4 1 4 42.099 84.198 0.435 3.03 8 7.6 0.9
180 6 3 0 42.183 84.367 0.436 3.02 4 14.3 1.6
181 5 5 0 42.238 84.476 0.436 3.02 4 84.7 55.5
182 6 0 2 42.254 84.507 0.436 3.02 4 20.0 3.1
183 5 4 2 42.308 84.616 0.437 3.01 8 32.0 15.8
184 0 2 5 42.327 84.654 0.437 3.01 4 48.6 18.2
185 4 6 1 42.368 84.736 0.437 3.01 8 7.5 0.9
186 0 5 4 42.488 84.976 0.438 3.0 4 1.4 0.0
187 3 7 0 42.627 85.254 0.44 2.98 4 86.8 57.6
188 6 1 2 42.679 85.359 0.44 2.98 8 19.1 5.6
189 2 6 3 42.8 85.6 0.441 2.97 8 87.9 117.7
190 1 2 5 42.941 85.882 0.442 2.96 8 12.6 2.4
191 2 0 5 43.08 86.161 0.443 2.95 4 102.5 79.4
192 1 5 4 43.102 86.203 0.444 2.95 8 25.0 9.4
193 6 3 1 43.158 86.316 0.444 2.94 8 18.8 5.4
194 5 5 1 43.212 86.425 0.444 2.94 8 63.6 60.9
195 4 2 4 43.375 86.75 0.446 2.93 8 110.8 184.1
196 2 7 2 43.456 86.911 0.446 2.92 8 34.8 18.1
197 0 8 0 43.483 86.965 0.447 2.92 2 80.7 24.4
198 2 1 5 43.505 87.01 0.447 2.92 8 11.1 1.9
199 3 7 1 43.6 87.201 0.448 2.91 8 32.0 15.2
200 6 2 2 43.953 87.907 0.451 2.89 8 47.2 33.0
201 1 8 0 44.095 88.19 0.452 2.88 4 6.0 0.3
202 3 4 4 44.181 88.362 0.452 2.87 8 6.1 0.5
203 5 3 3 44.201 88.402 0.453 2.87 8 75.9 85.0
204 0 3 5 44.45 88.901 0.455 2.86 4 30.3 6.7
205 0 8 1 44.455 88.909 0.455 2.86 4 14.0 1.4
206 2 2 5 44.778 89.555 0.457 2.84 8 57.9 48.8
207 2 5 4 44.938 89.876 0.458 2.83 8 21.3 6.6
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 7.726 15.453 5.72945 449.5 19.5 19.7 5.6
2 0 1 1 8.978 17.955 4.9361 665.4 28.9 29.1 5.6
3 1 1 1 10.787 21.574 4.1157 818.8 35.6 35.7 5.6
4 1 2 0 11.577 23.153 3.8384 201.1 8.7 8.8 5.6
5 2 0 0 11.926 23.852 3.7275 311.2 13.5 13.6 5.6
6 0 2 1 12.46 24.919 3.57023 59.8 2.6 2.6 5.6
7 2 1 0 12.934 25.869 3.44128 461.7 20.0 20.1 5.6
8 1 2 1 13.84 27.681 3.22002 232.0 10.1 10.1 5.6
9 2 0 1 14.137 28.275 3.15371 2303.2 100.0 100.0 5.6
10 2 1 1 15.008 30.016 2.97463 43.7 1.9 1.9 5.6
11 0 0 2 15.094 30.188 2.958 324.0 14.1 14.0 5.6
12 2 2 0 15.598 31.196 2.86472 385.1 16.7 16.7 5.6
13 0 1 2 15.917 31.834 2.80874 34.8 1.5 1.5 5.6
14 1 3 0 16.139 32.278 2.77112 1708.3 74.2 73.9 5.6
15 1 1 2 17.041 34.083 2.62838 1665.0 72.3 71.9 5.7
16 2 2 1 17.383 34.765 2.57834 1128.2 49.0 48.7 5.7
17 1 3 1 17.876 35.751 2.50946 1099.8 47.8 47.4 5.7
18 0 2 2 18.186 36.372 2.46805 385.5 16.7 16.6 5.7
19 3 1 0 18.765 37.53 2.39451 185.8 8.1 8.0 5.7
20 1 2 2 19.193 38.387 2.34299 333.6 14.5 14.4 5.7
21 2 3 0 19.305 38.61 2.32998 377.4 16.4 16.2 5.7
22 2 0 2 19.417 38.834 2.31707 336.5 14.6 14.5 5.7
23 2 1 2 20.083 40.167 2.2432 50.4 2.2 2.2 5.7
24 0 4 0 20.125 40.25 2.23875 50.6 2.2 2.2 5.7
25 3 1 1 20.306 40.612 2.21959 67.3 2.9 2.9 5.7
26 2 2 2 21.982 43.964 2.05785 385.0 16.7 16.5 5.7
27 3 2 1 22.189 44.378 2.03959 48.6 2.1 2.1 5.7
28 1 3 2 22.389 44.778 2.02232 120.1 5.2 5.1 5.7
29 2 4 0 23.663 47.326 1.9192 115.4 5.0 4.9 5.7
30 3 3 0 23.786 47.573 1.90982 25.5 1.1 1.1 5.7
31 1 1 3 24.4 48.799 1.86464 315.8 13.7 13.4 5.7
32 3 1 2 24.448 48.897 1.86114 134.9 5.9 5.7 5.7
33 2 3 2 24.887 49.775 1.83035 32.7 1.4 1.4 5.7
34 2 4 1 24.957 49.915 1.82554 76.2 3.3 3.2 5.7
35 3 3 1 25.076 50.152 1.81746 419.4 18.2 17.8 5.7
36 0 2 3 25.266 50.531 1.80472 54.0 2.3 2.3 5.8
37 0 4 2 25.563 51.126 1.78512 333.1 14.5 14.1 5.8
38 1 2 3 26.049 52.098 1.75405 26.6 1.2 1.1 5.8
39 2 0 3 26.225 52.451 1.7431 372.7 16.2 15.8 5.8
40 1 4 2 26.34 52.68 1.73604 25.0 1.1 1.1 5.8
41 4 2 0 26.594 53.189 1.72064 585.0 25.4 24.8 5.8
42 1 5 1 27.457 54.914 1.67058 215.6 9.4 9.1 5.8
43 2 2 3 28.308 56.616 1.62435 151.9 6.6 6.4 5.8
44 2 4 2 28.583 57.166 1.61001 172.5 7.5 7.3 5.8
45 1 3 3 28.647 57.295 1.6067 254.9 11.1 10.7 5.8
46 3 3 2 28.691 57.382 1.60446 1003.1 43.6 42.2 5.8
47 3 4 1 28.755 57.509 1.60122 80.8 3.5 3.4 5.8
48 4 0 2 29.242 58.483 1.57685 415.5 18.0 17.5 5.8
49 4 3 1 30.287 60.575 1.52731 71.6 3.1 3.0 5.8
50 3 1 3 30.399 60.798 1.52223 25.1 1.1 1.1 5.8
51 1 5 2 30.883 61.765 1.50069 586.0 25.4 24.5 5.8
52 0 6 0 31.071 62.142 1.4925 116.3 5.1 4.9 5.8
53 0 0 4 31.387 62.773 1.479 349.8 15.2 14.6 5.9
54 5 1 0 31.583 63.166 1.47075 117.8 5.1 4.9 5.9
55 3 2 3 31.836 63.673 1.46025 38.0 1.6 1.6 5.9
56 3 5 0 32.015 64.031 1.45296 213.2 9.3 8.9 5.9
57 1 4 3 32.052 64.104 1.45147 25.5 1.1 1.1 5.9
58 3 4 2 32.093 64.186 1.44981 38.9 1.7 1.6 5.9
59 1 1 4 32.54 65.079 1.43206 149.2 6.5 6.2 5.9
60 5 1 1 32.661 65.323 1.42731 37.5 1.6 1.6 5.9
61 1 6 1 32.834 65.668 1.42064 23.5 1.0 1.0 5.9
62 2 5 2 32.928 65.856 1.41703 39.6 1.7 1.6 5.9
63 3 5 1 33.086 66.172 1.41103 118.3 5.1 4.9 5.9
64 2 6 0 33.775 67.55 1.38556 27.9 1.2 1.2 5.9
65 1 2 4 33.927 67.854 1.38009 24.1 1.0 1.0 5.9
66 2 4 3 34.06 68.119 1.37537 57.5 2.5 2.4 5.9
67 3 3 3 34.157 68.315 1.3719 149.7 6.5 6.2 5.9
68 2 1 4 34.533 69.065 1.35882 55.1 2.4 2.3 5.9
69 2 6 1 34.818 69.637 1.34905 242.5 10.5 10.0 5.9
70 2 2 4 35.883 71.765 1.31419 66.0 2.9 2.7 5.9
71 1 6 2 35.961 71.922 1.3117 58.4 2.5 2.4 5.9
72 1 3 4 36.182 72.363 1.30479 407.5 17.7 16.7 5.9
73 5 3 1 36.298 72.595 1.3012 136.2 5.9 5.6 6.0
74 5 2 2 37.126 74.253 1.2762 52.7 2.3 2.2 6.0
75 3 4 3 37.289 74.578 1.27143 27.7 1.2 1.1 6.0
76 3 1 4 37.745 75.49 1.25832 96.8 4.2 4.0 6.0
77 2 6 2 37.872 75.744 1.25473 36.9 1.6 1.5 6.0
78 0 7 1 38.027 76.054 1.25039 29.9 1.3 1.2 6.0
79 2 3 4 38.088 76.177 1.24868 51.4 2.2 2.1 6.0
80 6 0 0 38.312 76.624 1.2425 25.2 1.1 1.0 6.0
81 4 3 3 38.644 77.288 1.23347 31.1 1.4 1.3 6.0
82 6 1 0 38.747 77.494 1.23071 24.4 1.1 1.0 6.0
83 5 3 2 39.307 78.615 1.21595 407.4 17.7 16.5 6.0
84 5 1 3 40.795 81.59 1.17896 25.1 1.1 1.0 6.1
85 6 2 1 41.027 82.054 1.17347 46.2 2.0 1.9 6.1
86 2 4 4 41.111 82.222 1.1715 77.4 3.4 3.1 6.1
87 3 5 3 41.186 82.372 1.16974 75.8 3.3 3.0 6.1
88 1 7 2 41.614 83.227 1.15988 31.5 1.4 1.3 6.1
89 4 0 4 41.673 83.345 1.15853 114.2 5.0 4.6 6.1
90 5 5 0 42.238 84.476 1.14589 58.6 2.5 2.3 6.1
91 0 2 5 42.327 84.654 1.14393 34.1 1.5 1.4 6.1
92 3 7 0 42.627 85.254 1.13741 57.6 2.5 2.3 6.1
93 2 6 3 42.8 85.6 1.1337 117.7 5.1 4.7 6.1
94 2 0 5 43.08 86.161 1.12775 88.8 3.9 3.5 6.1
95 5 5 1 43.212 86.425 1.12498 60.9 2.6 2.4 6.1
96 4 2 4 43.375 86.75 1.1216 184.1 8.0 7.3 6.1
97 0 8 0 43.483 86.965 1.11937 44.4 1.9 1.8 6.1
98 6 2 2 43.953 87.907 1.1098 33.0 1.4 1.3 6.2
99 5 3 3 44.201 88.402 1.10485 85.0 3.7 3.4 6.2
100 2 2 5 44.778 89.555 1.09359 48.8 2.1 1.9 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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