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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THERMONATRITE
1, syn, f-natron
Na(2)[CO(3)].H(2)O
Orthorhombic P 2(1)ab Z = 4
P2(1)ab
16 .1 .9
Ref.Str.:
Wu K.K., Brown I.D. (1975)
* Acta Cryst., B31, 890-892
R: A neutron diffraction study.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.472 alpha = 90.0
b = 10.724 beta = 90.0
c = 5.259 gamma = 90.0
Unit cell volume (cub. angs.) = 365.0
Molar volume ( cub.cm/mol.) = 54.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.1932 0.1392 0.0 Na = 1.00
2 0.0643 0.0012 0.6218 0.0 Na = 1.00
3 0.7855 0.2546 0.6024 0.0 C = 1.00
4 0.799 0.1389 0.5466 0.0 O = 1.00
5 0.7967 0.3366 0.4266 0.0 O = 1.00
6 0.7602 0.2883 0.835 0.0 O = 1.00
7 0.0322 0.9704 0.0692 0.0 H(2)O = 1.00
8 0.1464 0.9338 0.1611 0.0 H = 1.00
9 0.9195 0.9101 0.1 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.1932 0.1392
2 2 0.0643 0.0012 0.6218
3 3 0.7855 0.2546 0.6024
4 4 0.799 0.1389 0.5466
5 5 0.7967 0.3366 0.4266
6 6 0.7602 0.2883 0.835
7 7 0.0322 0.9704 0.0692
8 8 0.1464 0.9338 0.1611
9 9 0.9195 0.9101 0.1
10 1 0.5 0.8068 0.8608
11 2 0.5643 0.9988 0.3782
12 3 0.2855 0.7454 0.3976
13 4 0.299 0.8611 0.4534
14 5 0.2967 0.6634 0.5734
15 6 0.2602 0.7117 0.165
16 7 0.5322 0.0296 0.9308
17 8 0.6464 0.0662 0.8389
18 9 0.4195 0.0899 0.9
19 1 0.5 0.3068 0.1392
20 2 0.5643 0.4988 0.6218
21 3 0.2855 0.2454 0.6024
22 4 0.299 0.3611 0.5466
23 5 0.2967 0.1634 0.4266
24 6 0.2602 0.2117 0.835
25 7 0.5322 0.5296 0.0692
26 8 0.6464 0.5662 0.1611
27 9 0.4195 0.5899 0.1
28 1 0.0 0.6932 0.8608
29 2 0.0643 0.5012 0.3782
30 3 0.7855 0.7546 0.3976
31 4 0.799 0.6389 0.4534
32 5 0.7967 0.8366 0.5734
33 6 0.7602 0.7883 0.165
34 7 0.0322 0.4704 0.9308
35 8 0.1464 0.4338 0.8389
36 9 0.9195 0.4101 0.9
X-ray density (g/cm cub.) = 2.29
MU (1/cm) = 40.008 Mass attenuation coefficient (cm**2/g) = 17.452
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.976 6
2.5733 4
2.526 5
2.4511 6
2.4265 7
2.4645 5
2.3312 6
2 Na 2.976 7
2.299 4
2.385 7
2.9322 7
2.3128 4
2.5183 5
2.8214 6
2.486 5
3 C 2.04 3
1.278 4
1.278 5
1.286 6
4 O 3.432 6
2.2121 5
2.2204 6
2.9048 7
3.2929 5
3.322 5
3.245 5
5 O 3.432 9
2.2121 4
2.2219 6
3.1629 6
3.322 4
3.2929 4
3.2783 7
3.245 4
3.3783 7
3.3437 7
6 O 3.432 8
2.2204 4
3.1629 5
2.2219 5
3.1825 7
3.3386 6
3.3386 6
3.2234 7
2.677 7
7 H(2)O 3.6 10
3.4419 4
2.9048 4
3.1825 6
3.3771 7
3.3771 7
3.2783 5
3.2234 6
3.3783 5
3.3437 5
2.677 6
8 H 1.8 1
0.9664 7
9 H 1.8 2
0.9881 7
1.6988 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 0 2 0 8.259 16.519 0.093 93.97 2 24.8 86.6
2 0 0 1 8.422 16.845 0.095 90.29 2 28.1 106.7
3 0 1 1 9.389 18.778 0.106 72.23 4 8.1 14.1
4 1 2 0 10.752 21.503 0.121 54.57 4 14.9 36.5
5 1 1 1 11.65 23.3 0.131 46.16 8 3.5 3.4
6 0 2 1 11.839 23.678 0.133 44.64 4 1.9 0.5
7 1 2 1 13.72 27.441 0.154 32.71 8 7.6 11.2
8 2 0 0 13.771 27.541 0.155 32.46 2 3.9 0.8
9 0 3 1 15.103 30.205 0.169 26.65 4 0.1 0.0
10 2 2 0 16.142 32.285 0.18 23.09 4 84.6 496.0
11 2 0 1 16.23 32.459 0.181 22.83 4 64.1 281.4
12 1 3 1 16.645 33.291 0.186 21.61 8 34.2 151.9
13 0 4 0 16.697 33.394 0.186 21.46 2 48.0 74.3
14 2 1 1 16.772 33.545 0.187 21.25 8 47.4 287.3
15 0 0 2 17.034 34.068 0.19 20.55 2 36.5 41.1
16 0 1 2 17.555 35.109 0.196 19.24 4 14.9 12.9
17 1 4 0 18.119 36.237 0.202 17.96 4 57.1 175.7
18 2 2 1 18.315 36.631 0.204 17.54 8 33.7 119.3
19 0 4 1 18.814 37.627 0.209 16.53 4 19.0 18.0
20 1 1 2 18.92 37.84 0.21 16.33 8 66.1 428.4
21 0 2 2 19.042 38.085 0.212 16.09 4 14.8 10.6
22 1 4 1 20.106 40.211 0.223 14.27 8 38.0 123.7
23 1 2 2 20.322 40.644 0.225 13.93 8 12.2 12.4
24 2 3 1 20.666 41.331 0.229 13.42 8 35.5 101.4
25 0 3 2 21.325 42.65 0.236 12.51 4 19.9 14.9
26 2 4 0 21.907 43.815 0.242 11.77 4 57.6 117.2
27 2 0 2 22.176 44.352 0.245 11.45 4 15.0 7.8
28 1 3 2 22.497 44.994 0.248 11.09 8 49.8 165.1
29 2 1 2 22.596 45.192 0.249 10.98 8 36.5 87.6
30 3 2 0 22.636 45.271 0.25 10.94 4 19.5 12.5
31 0 5 1 22.821 45.643 0.252 10.74 4 29.6 28.2
32 3 1 1 23.113 46.227 0.255 10.43 8 20.3 25.7
33 2 4 1 23.63 47.26 0.26 9.92 8 30.0 53.7
34 2 2 2 23.82 47.641 0.262 9.74 8 19.5 22.2
35 1 5 1 23.935 47.871 0.263 9.64 8 23.1 30.8
36 0 4 2 24.225 48.449 0.266 9.38 4 13.8 5.4
37 3 2 1 24.318 48.635 0.267 9.3 8 13.6 10.3
38 1 4 2 25.292 50.584 0.277 8.5 8 2.8 0.4
39 0 6 0 25.529 51.058 0.28 8.32 2 63.8 50.8
40 2 3 2 25.762 51.524 0.282 8.15 8 25.8 32.5
41 0 0 3 26.066 52.132 0.285 7.94 2 31.2 11.6
42 3 3 1 26.232 52.464 0.287 7.82 8 33.8 53.6
43 0 1 3 26.439 52.877 0.289 7.69 4 3.4 0.3
44 1 6 0 26.558 53.115 0.29 7.61 4 27.7 17.6
45 2 5 1 27.07 54.14 0.295 7.28 8 2.5 0.3
46 0 6 1 27.076 54.152 0.295 7.28 4 21.6 10.2
47 3 4 0 27.277 54.554 0.297 7.16 4 47.4 48.3
48 1 1 3 27.443 54.887 0.299 7.06 8 10.4 4.6
49 0 2 3 27.535 55.07 0.3 7.01 4 54.5 62.4
50 0 5 2 27.61 55.221 0.301 6.96 4 8.6 1.5
51 3 1 2 27.865 55.731 0.303 6.82 8 47.1 90.8
52 1 6 1 28.065 56.131 0.305 6.71 8 8.9 3.2
53 2 4 2 28.318 56.636 0.308 6.57 8 27.6 30.0
54 4 0 0 28.429 56.858 0.309 6.52 2 105.0 107.9
55 1 2 3 28.514 57.027 0.31 6.47 8 17.9 12.4
56 1 5 2 28.587 57.174 0.311 6.44 8 58.6 132.8
57 3 4 1 28.759 57.519 0.312 6.35 8 21.3 17.3
58 3 2 2 28.925 57.851 0.314 6.27 8 11.8 5.2
59 0 3 3 29.301 58.602 0.318 6.09 4 11.9 2.6
60 2 6 0 29.494 58.988 0.32 6.0 4 33.1 19.7
61 4 2 0 29.82 59.639 0.323 5.85 4 38.8 26.4
62 4 0 1 29.874 59.748 0.323 5.83 4 45.1 35.6
63 2 0 3 29.983 59.965 0.324 5.78 4 26.4 12.1
64 4 1 1 30.215 60.43 0.327 5.68 8 7.1 1.7
65 1 3 3 30.243 60.485 0.327 5.67 8 30.0 30.6
66 2 1 3 30.323 60.646 0.328 5.64 8 14.4 7.0
67 3 3 2 30.64 61.28 0.331 5.51 8 14.7 7.2
68 2 6 1 30.908 61.816 0.333 5.4 8 12.7 5.3
69 4 2 1 31.225 62.449 0.336 5.28 8 2.9 0.3
70 2 2 3 31.331 62.661 0.338 5.24 8 22.8 16.4
71 2 5 2 31.4 62.8 0.338 5.22 8 20.4 13.0
72 0 6 2 31.406 62.812 0.338 5.22 4 16.1 4.1
73 0 7 1 31.58 63.161 0.34 5.15 4 18.9 5.5
74 0 4 3 31.668 63.337 0.341 5.12 4 22.1 7.5
75 3 5 1 31.815 63.63 0.342 5.07 8 14.8 6.7
76 1 6 2 32.311 64.622 0.347 4.9 8 14.1 5.9
77 1 7 1 32.483 64.966 0.349 4.85 8 33.3 32.3
78 1 4 3 32.569 65.139 0.349 4.82 8 22.8 15.0
79 4 3 1 32.868 65.736 0.352 4.72 8 3.2 0.3
80 3 4 2 32.951 65.901 0.353 4.7 8 6.7 1.3
81 2 3 3 32.971 65.942 0.353 4.69 8 17.5 8.7
82 4 4 0 33.783 67.566 0.361 4.46 4 26.5 9.4
83 4 0 2 33.985 67.97 0.363 4.4 4 26.1 9.0
84 3 6 0 34.032 68.064 0.363 4.39 4 35.3 16.5
85 4 1 2 34.303 68.606 0.366 4.32 8 13.9 5.0
86 0 5 3 34.576 69.152 0.368 4.25 4 24.2 7.5
87 3 1 3 34.801 69.601 0.37 4.19 8 26.0 17.1
88 2 6 2 34.952 69.904 0.372 4.16 8 9.2 2.1
89 0 8 0 35.073 70.146 0.373 4.13 2 10.0 0.6
90 4 4 1 35.101 70.201 0.373 4.12 8 15.7 6.1
91 2 7 1 35.117 70.235 0.373 4.12 8 8.3 1.7
92 2 4 3 35.201 70.401 0.374 4.1 8 10.2 2.5
93 4 2 2 35.25 70.499 0.375 4.09 8 10.8 2.8
94 3 6 1 35.346 70.691 0.376 4.06 8 7.7 1.4
95 1 5 3 35.44 70.88 0.376 4.04 8 5.1 0.6
96 0 7 2 35.585 71.169 0.378 4.01 4 7.8 0.7
97 3 2 3 35.741 71.482 0.379 3.98 8 11.2 3.0
98 3 5 2 35.806 71.613 0.38 3.96 8 49.6 58.6
99 0 0 4 35.865 71.73 0.38 3.95 2 61.1 22.1
100 1 8 0 35.931 71.863 0.381 3.93 4 21.1 5.2
101 0 1 4 36.176 72.351 0.383 3.88 4 3.4 0.1
102 0 8 1 36.37 72.74 0.385 3.84 4 44.5 22.9
103 1 7 2 36.438 72.876 0.386 3.83 8 14.2 4.7
104 4 3 2 36.803 73.607 0.389 3.76 8 10.0 2.2
105 1 1 4 37.023 74.047 0.391 3.72 8 16.7 6.2
106 0 2 4 37.102 74.203 0.392 3.7 4 4.3 0.2
107 1 8 1 37.216 74.432 0.393 3.68 8 17.9 7.1
108 3 3 3 37.287 74.573 0.393 3.67 8 23.2 11.9
109 5 2 0 37.747 75.495 0.397 3.59 4 12.5 1.7
110 4 5 1 37.884 75.768 0.399 3.56 8 16.3 5.7
111 1 2 4 37.942 75.883 0.399 3.55 8 14.7 4.6
112 2 5 3 37.981 75.962 0.399 3.55 8 3.0 0.2
113 0 6 3 37.986 75.973 0.4 3.55 4 0.8 0.0
114 5 1 1 38.1 76.201 0.401 3.53 8 16.6 5.9
115 2 8 0 38.46 76.921 0.404 3.47 4 15.5 2.5
116 0 3 4 38.627 77.254 0.405 3.44 4 9.4 0.9
117 1 6 3 38.82 77.64 0.407 3.42 8 23.3 11.2
118 4 4 2 38.939 77.878 0.408 3.4 8 7.4 1.1
119 2 7 2 38.955 77.91 0.408 3.4 8 25.7 13.5
120 5 2 1 39.01 78.02 0.409 3.39 8 5.4 0.6
121 3 6 2 39.175 78.35 0.41 3.36 8 5.0 0.5
122 2 0 4 39.226 78.453 0.41 3.36 4 29.9 9.0
123 3 7 1 39.333 78.667 0.411 3.34 8 28.8 16.6
124 3 4 3 39.413 78.827 0.412 3.33 8 20.0 8.0
125 1 3 4 39.456 78.913 0.413 3.33 8 19.7 7.8
126 2 1 4 39.528 79.055 0.413 3.32 8 21.5 9.2
127 2 8 1 39.716 79.433 0.415 3.29 8 13.0 3.4
128 4 6 0 39.953 79.907 0.417 3.26 4 39.1 15.0
129 0 8 2 40.164 80.329 0.419 3.23 4 14.4 2.0
130 4 0 3 40.38 80.761 0.421 3.21 4 30.1 8.7
131 2 2 4 40.428 80.857 0.421 3.2 8 23.9 11.0
132 5 3 1 40.513 81.027 0.422 3.19 8 4.2 0.3
133 4 1 3 40.68 81.359 0.423 3.17 8 6.9 0.9
134 0 4 4 40.733 81.466 0.424 3.17 4 37.3 13.2
135 1 8 2 40.986 81.972 0.426 3.14 8 7.1 0.9
136 4 6 1 41.197 82.395 0.428 3.12 8 23.1 9.9
137 2 6 3 41.292 82.585 0.428 3.11 8 16.4 5.0
138 5 4 0 41.362 82.724 0.429 3.1 4 21.6 4.4
139 0 9 1 41.516 83.033 0.43 3.08 4 22.3 4.6
140 1 4 4 41.552 83.104 0.431 3.08 8 21.2 8.3
141 4 2 3 41.575 83.149 0.431 3.08 8 30.5 17.2
142 4 5 2 41.637 83.273 0.431 3.07 8 7.0 0.9
143 5 1 2 41.848 83.696 0.433 3.05 8 25.0 11.4
144 0 7 3 41.893 83.786 0.433 3.05 4 14.3 1.9
145 2 3 4 41.92 83.84 0.434 3.05 8 5.0 0.5
146 3 5 3 42.104 84.208 0.435 3.03 8 14.5 3.8
147 1 9 1 42.333 84.665 0.437 3.01 8 23.4 9.9
148 3 8 0 42.572 85.144 0.439 2.99 4 15.6 2.2
149 5 4 1 42.598 85.196 0.439 2.99 8 21.6 8.4
150 1 7 3 42.708 85.417 0.44 2.98 8 24.9 11.1
151 5 2 2 42.739 85.478 0.441 2.97 8 4.2 0.3
152 3 7 2 43.056 86.112 0.443 2.95 8 21.9 8.5
153 4 3 3 43.059 86.118 0.443 2.95 8 5.3 0.5
154 0 5 4 43.408 86.816 0.446 2.92 4 0.6 0.0
155 2 8 2 43.433 86.866 0.446 2.92 8 4.0 0.3
156 3 1 4 43.618 87.237 0.448 2.91 8 12.2 2.6
157 3 8 1 43.804 87.608 0.449 2.9 8 13.8 3.3
158 2 4 4 43.995 87.989 0.451 2.88 8 12.7 2.8
159 5 3 2 44.219 88.438 0.453 2.87 8 47.7 39.2
160 1 5 4 44.22 88.441 0.453 2.87 8 10.3 1.8
161 3 2 4 44.506 89.011 0.455 2.85 8 19.0 6.2
162 2 9 1 44.771 89.543 0.457 2.84 8 19.1 6.2
163 4 6 2 44.896 89.792 0.458 2.83 8 12.0 2.5
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 8.259 16.519 5.362 86.6 17.5 17.7 5.6
2 0 0 1 8.422 16.845 5.259 106.7 21.5 21.8 5.6
3 0 1 1 9.389 18.778 4.72179 14.1 2.8 2.9 5.6
4 1 2 0 10.752 21.503 4.12902 36.5 7.4 7.4 5.6
5 1 2 1 13.72 27.441 3.24764 11.2 2.3 2.3 5.6
6 2 2 0 16.142 32.285 2.77055 496.0 100.0 100.0 5.6
7 2 0 1 16.23 32.459 2.75604 281.4 56.7 56.7 5.6
8 1 3 1 16.645 33.291 2.6891 151.9 30.6 30.6 5.6
9 0 4 0 16.697 33.394 2.681 74.3 15.0 15.0 5.7
10 2 1 1 16.772 33.545 2.6693 287.3 57.9 57.9 5.7
11 0 0 2 17.034 34.068 2.6295 41.1 8.3 8.3 5.7
12 0 1 2 17.555 35.109 2.55385 12.9 2.6 2.6 5.7
13 1 4 0 18.119 36.237 2.47689 175.7 35.4 35.3 5.7
14 2 2 1 18.315 36.631 2.4512 119.3 24.1 24.0 5.7
15 0 4 1 18.814 37.627 2.38853 18.0 3.6 3.6 5.7
16 1 1 2 18.92 37.84 2.37559 428.4 86.4 85.9 5.7
17 0 2 2 19.042 38.085 2.3609 10.6 2.1 2.1 5.7
18 1 4 1 20.106 40.211 2.2408 123.7 24.9 24.8 5.7
19 1 2 2 20.322 40.644 2.21793 12.4 2.5 2.5 5.7
20 2 3 1 20.666 41.331 2.18264 101.4 20.4 20.3 5.7
21 0 3 2 21.325 42.65 2.11816 14.9 3.0 3.0 5.7
22 2 4 0 21.907 43.815 2.06451 117.2 23.6 23.4 5.7
23 2 0 2 22.176 44.352 2.04071 7.8 1.6 1.5 5.7
24 1 3 2 22.497 44.994 2.01309 165.1 33.3 32.9 5.7
25 2 1 2 22.596 45.192 2.00474 87.6 17.7 17.4 5.7
26 3 2 0 22.636 45.271 2.00142 12.5 2.5 2.5 5.7
27 0 5 1 22.821 45.643 1.98599 28.2 5.7 5.6 5.7
28 3 1 1 23.113 46.227 1.96223 25.7 5.2 5.1 5.7
29 2 4 1 23.63 47.26 1.92173 53.7 10.8 10.7 5.7
30 2 2 2 23.82 47.641 1.90725 22.2 4.5 4.4 5.7
31 1 5 1 23.935 47.871 1.89861 30.8 6.2 6.1 5.7
32 0 4 2 24.225 48.449 1.87728 5.4 1.1 1.1 5.7
33 3 2 1 24.318 48.635 1.87054 10.3 2.1 2.1 5.7
34 0 6 0 25.529 51.058 1.78733 50.8 10.3 10.1 5.8
35 2 3 2 25.762 51.524 1.77225 32.5 6.6 6.4 5.8
36 0 0 3 26.066 52.132 1.753 11.6 2.3 2.3 5.8
37 3 3 1 26.232 52.464 1.74268 53.6 10.8 10.6 5.8
38 1 6 0 26.558 53.115 1.72284 17.6 3.5 3.5 5.8
39 0 6 1 27.076 54.152 1.69227 10.2 2.1 2.0 5.8
40 3 4 0 27.277 54.554 1.68075 48.3 9.7 9.5 5.8
41 0 2 3 27.535 55.07 1.66621 62.4 12.6 12.3 5.8
42 3 1 2 27.865 55.731 1.64803 90.8 18.3 17.8 5.8
43 2 4 2 28.318 56.636 1.62382 30.0 6.1 5.9 5.8
44 4 0 0 28.429 56.858 1.618 107.9 21.8 21.2 5.8
45 1 2 3 28.514 57.027 1.6136 12.4 2.5 2.4 5.8
46 1 5 2 28.587 57.174 1.6098 132.8 26.8 26.0 5.8
47 3 4 1 28.759 57.519 1.60098 17.3 3.5 3.4 5.8
48 3 2 2 28.925 57.851 1.59258 5.2 1.1 1.0 5.8
49 2 6 0 29.494 58.988 1.56455 19.7 4.0 3.9 5.8
50 4 2 0 29.82 59.639 1.54901 26.4 5.3 5.2 5.8
51 4 0 1 29.874 59.748 1.54646 35.6 7.2 7.0 5.8
52 2 0 3 29.983 59.965 1.54137 12.1 2.4 2.4 5.8
53 1 3 3 30.243 60.485 1.52936 32.3 6.5 6.3 5.8
54 2 1 3 30.323 60.646 1.52569 7.0 1.4 1.4 5.8
55 3 3 2 30.64 61.28 1.51142 7.2 1.5 1.4 5.8
56 2 6 1 30.908 61.816 1.49959 5.3 1.1 1.0 5.8
57 2 2 3 31.331 62.661 1.48137 16.4 3.3 3.2 5.8
58 2 5 2 31.4 62.8 1.47843 17.1 3.4 3.3 5.9
59 0 7 1 31.58 63.161 1.47086 5.5 1.1 1.1 5.9
60 0 4 3 31.668 63.337 1.4672 7.5 1.5 1.5 5.9
61 3 5 1 31.815 63.63 1.46113 6.7 1.3 1.3 5.9
62 1 6 2 32.311 64.622 1.44107 5.9 1.2 1.1 5.9
63 1 7 1 32.483 64.966 1.43429 32.3 6.5 6.3 5.9
64 1 4 3 32.569 65.139 1.43089 15.0 3.0 2.9 5.9
65 2 3 3 32.971 65.942 1.41539 9.9 2.0 1.9 5.9
66 4 4 0 33.783 67.566 1.38528 9.4 1.9 1.8 5.9
67 4 0 2 33.985 67.97 1.37802 9.0 1.8 1.7 5.9
68 3 6 0 34.032 68.064 1.37634 16.5 3.3 3.2 5.9
69 4 1 2 34.303 68.606 1.36678 5.0 1.0 1.0 5.9
70 0 5 3 34.576 69.152 1.35732 7.5 1.5 1.4 5.9
71 3 1 3 34.801 69.601 1.34966 17.1 3.4 3.3 5.9
72 4 4 1 35.101 70.201 1.33958 7.8 1.6 1.5 5.9
73 3 5 2 35.806 71.613 1.31661 58.6 11.8 11.2 5.9
74 0 0 4 35.865 71.73 1.31475 22.1 4.5 4.2 5.9
75 1 8 0 35.931 71.863 1.31264 5.2 1.1 1.0 5.9
76 0 8 1 36.37 72.74 1.29897 22.9 4.6 4.4 6.0
77 1 1 4 37.023 74.047 1.27923 6.2 1.2 1.2 6.0
78 1 8 1 37.216 74.432 1.27357 7.1 1.4 1.3 6.0
79 3 3 3 37.287 74.573 1.2715 11.9 2.4 2.3 6.0
80 4 5 1 37.884 75.768 1.2544 5.7 1.1 1.1 6.0
81 5 1 1 38.1 76.201 1.24834 5.9 1.2 1.1 6.0
82 1 6 3 38.82 77.64 1.22876 11.2 2.3 2.1 6.0
83 2 7 2 38.955 77.91 1.22518 14.6 2.9 2.8 6.0
84 2 0 4 39.226 78.453 1.21806 9.0 1.8 1.7 6.0
85 3 7 1 39.333 78.667 1.21528 16.6 3.3 3.1 6.0
86 3 4 3 39.413 78.827 1.21321 8.0 1.6 1.5 6.0
87 1 3 4 39.456 78.913 1.2121 7.8 1.6 1.5 6.0
88 2 1 4 39.528 79.055 1.21027 9.2 1.9 1.7 6.0
89 4 6 0 39.953 79.907 1.19951 15.0 3.0 2.8 6.0
90 4 0 3 40.38 80.761 1.18896 8.7 1.8 1.6 6.1
91 2 2 4 40.428 80.857 1.18779 11.0 2.2 2.1 6.1
92 0 4 4 40.733 81.466 1.18045 13.2 2.7 2.5 6.1
93 4 6 1 41.197 82.395 1.16947 9.9 2.0 1.9 6.1
94 2 6 3 41.292 82.585 1.16726 5.0 1.0 0.9 6.1
95 4 2 3 41.575 83.149 1.16077 25.6 5.2 4.8 6.1
96 5 1 2 41.848 83.696 1.15457 11.4 2.3 2.1 6.1
97 1 9 1 42.333 84.665 1.14381 9.9 2.0 1.8 6.1
98 5 4 1 42.598 85.196 1.13803 10.5 2.1 2.0 6.1
99 1 7 3 42.708 85.417 1.13566 11.4 2.3 2.1 6.1
100 3 7 2 43.056 86.112 1.12826 9.0 1.8 1.7 6.1
101 5 3 2 44.219 88.438 1.10449 41.1 8.3 7.6 6.2
102 3 2 4 44.506 89.011 1.09886 6.2 1.2 1.1 6.2
103 2 9 1 44.771 89.543 1.09371 6.2 1.3 1.1 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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