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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GJERDINGENITE-NA
1, f-labuntsovite
(K,Na,Ca)(2)(Na,Ca,Mn){(Nb,Ti)(4)[Si(4)O(12)](2)(OH,O)(4)}.5.32(H(2)O
Monoclinic C 2/m Z = 2
R =0.0341 NR =1631
20 .11 .15
Ref.Str.:
N.A. Yamnova, I.V. Pekov, Yu.K. Kabalov, N.V. Chukanov, J. Shneider (2007)
* Doklady Chemistry, 414, 109-114
L: $ K0.98 Na1.52 Sr0.41 Ca0.41 Ba0.07 Mn0.04 Fe3+0.09 Nb2.43 Ti1.46
Si8 O33.32 H10$
R: Locality - Mont Saint Hilaire alkaline rock, Quebec, Canada.
There are U(eq) in the article. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.6119 alpha = 90.0
b = 14.1426 beta = 117.43
c = 7.9022 gamma = 90.0
Unit cell volume (cub. angs.) = 1449.38
Molar volume ( cub.cm/mol.) = 436.51
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.208 0.106 0.78 0.0 Si = 1.00
2 0.308 0.11 0.24 0.0 Si = 1.00
3 0.0 0.247 0.5 0.0 Nb = 0.52, Ti = 0.48
4 0.25 0.25 0.5 0.0 Nb = 0.66, Ti = 0.34
5 0.0 0.0 0.5 0.0 Na = 0.84, Ca = 0.16
6 0.458 0.0 0.76 0.0 K = 0.5 , Na = 0.38, Ca = 0.12
7 0.088 0.133 0.699 0.0 O = 1.00
8 0.275 0.183 0.739 0.0 O = 1.00
9 0.244 0.152 0.346 0.0 O = 1.00
10 0.339 0.0 0.264 0.0 O = 1.00
11 0.215 0.0 0.758 0.0 O = 1.00
12 0.428 0.156 0.339 0.0 O = 1.00
13 0.253 0.136 0.014 0.0 O = 1.00
14 0.095 0.252 0.395 0.0 O = 0.44, OH = 0.56
15 0.0 0.13 0.0 0.0 H(2)O = 1.00
16 0.5 0.165 0.0 0.0 H(2)O = 1.00
17 0.066 0.0 0.293 0.0 H(2)O = 0.7 , H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.208 0.106 0.78
2 2 0.308 0.11 0.24
3 3 0.0 0.247 0.5
4 4 0.25 0.25 0.5
5 5 0.0 0.0 0.5
6 6 0.458 0.0 0.76
7 7 0.088 0.133 0.699
8 8 0.275 0.183 0.739
9 9 0.244 0.152 0.346
10 10 0.339 0.0 0.264
11 11 0.215 0.0 0.758
12 12 0.428 0.156 0.339
13 13 0.253 0.136 0.014
14 14 0.095 0.252 0.395
15 15 0.0 0.13 0.0
16 16 0.5 0.165 0.0
17 17 0.066 0.0 0.293
18 1 0.792 0.894 0.22
19 2 0.692 0.89 0.76
20 3 0.0 0.753 0.5
21 4 0.75 0.75 0.5
22 6 0.542 0.0 0.24
23 7 0.912 0.867 0.301
24 8 0.725 0.817 0.261
25 9 0.756 0.848 0.654
26 10 0.661 0.0 0.736
27 11 0.785 0.0 0.242
28 12 0.572 0.844 0.661
29 13 0.747 0.864 0.986
30 14 0.905 0.748 0.605
31 15 0.0 0.87 0.0
32 16 0.5 0.835 0.0
33 17 0.934 0.0 0.707
34 1 0.208 0.894 0.78
35 2 0.308 0.89 0.24
36 4 0.25 0.75 0.5
37 7 0.088 0.867 0.699
38 8 0.275 0.817 0.739
39 9 0.244 0.848 0.346
40 12 0.428 0.844 0.339
41 13 0.253 0.864 0.014
42 14 0.095 0.748 0.395
43 1 0.792 0.106 0.22
44 2 0.692 0.11 0.76
45 4 0.75 0.25 0.5
46 7 0.912 0.133 0.301
47 8 0.725 0.183 0.261
48 9 0.756 0.152 0.654
49 12 0.572 0.156 0.661
50 13 0.747 0.136 0.986
51 14 0.905 0.252 0.605
52 1 0.708 0.394 0.78
53 2 0.808 0.39 0.24
54 3 0.5 0.253 0.5
55 5 0.5 0.5 0.5
56 6 0.958 0.5 0.76
57 7 0.588 0.367 0.699
58 8 0.775 0.317 0.739
59 9 0.744 0.348 0.346
60 10 0.839 0.5 0.264
61 11 0.715 0.5 0.758
62 12 0.928 0.344 0.339
63 13 0.753 0.364 0.014
64 14 0.595 0.248 0.395
65 15 0.5 0.37 0.0
66 16 0.0 0.335 0.0
67 17 0.566 0.5 0.293
68 1 0.292 0.606 0.22
69 2 0.192 0.61 0.76
70 3 0.5 0.747 0.5
71 6 0.042 0.5 0.24
72 7 0.412 0.633 0.301
73 8 0.225 0.683 0.261
74 9 0.256 0.652 0.654
75 10 0.161 0.5 0.736
76 11 0.285 0.5 0.242
77 12 0.072 0.656 0.661
78 13 0.247 0.636 0.986
79 14 0.405 0.752 0.605
80 15 0.5 0.63 0.0
81 16 0.0 0.665 0.0
82 17 0.434 0.5 0.707
83 1 0.708 0.606 0.78
84 2 0.808 0.61 0.24
85 7 0.588 0.633 0.699
86 8 0.775 0.683 0.739
87 9 0.744 0.652 0.346
88 12 0.928 0.656 0.339
89 13 0.753 0.636 0.014
90 14 0.595 0.752 0.395
91 1 0.292 0.394 0.22
92 2 0.192 0.39 0.76
93 7 0.412 0.367 0.301
94 8 0.225 0.317 0.261
95 9 0.256 0.348 0.654
96 12 0.072 0.344 0.661
97 13 0.247 0.364 0.986
98 14 0.405 0.248 0.605
X-ray density (g/cm cub.) = 2.66
MU (1/cm) = 273.379 Mass attenuation coefficient (cm**2/g) = 102.714
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.268 4
1.6112 7
1.5942 8
1.518 11
1.7063 13
2 Si 2.268 4
1.6281 9
1.6069 10
1.687 12
1.6273 13
3 Nb ,Ti 2.736 6
2.2051 7
1.9187 14
2.2051 7
1.9187 14
1.8369 12
1.8369 12
4 Nb ,Ti 2.736 6
1.9906 8
1.8197 9
2.0217 14
1.9906 8
1.8197 9
2.0217 14
5 Na ,Ca 3.048 8
2.4086 7
2.8504 11
2.2493 17
2.4086 7
2.8504 11
2.2493 17
2.4086 7
2.4086 7
6 K ,Na ,Ca 3.396 5
2.889 16
3.0582 10
3.0749 12
2.889 16
3.0749 12
7 O 3.432 9
2.6963 8
2.5302 11
2.5458 13
2.9732 14
3.1829 15
2.9558 17
3.0088 7
2.9503 14
2.9975 12
8 O 3.432 9
2.6963 7
2.9573 9
2.7587 11
2.4313 13
2.9448 14
2.9799 16
2.4087 9
3.3564 13
2.7254 14
9 O 3.432 9
2.9573 8
2.7923 10
2.7151 12
2.6962 13
2.7689 14
3.3618 15
3.2492 17
2.4087 8
2.6702 14
10 O 3.432 6
2.7923 9
2.4899 12
2.6256 13
2.7923 9
2.4899 12
2.6256 13
11 O 3.432 7
2.5302 7
2.7587 8
2.658 13
3.2971 17
2.5302 7
2.7587 8
2.658 13
12 O 3.432 8
2.7151 9
2.4899 10
2.6765 13
3.3009 16
2.4431 12
2.6169 14
2.9975 7
2.622 14
13 O 3.432 8
2.5458 7
2.4313 8
2.6962 9
2.6256 10
2.658 11
2.6765 12
3.3564 8
3.2305 13
14 O ,OH 3.48 10
2.9732 7
2.9448 8
2.7689 9
3.2641 15
2.9503 7
2.6169 12
3.0092 16
2.7254 8
2.6702 9
2.622 12
15 H(2)O 3.6 9
3.1829 7
3.3618 9
3.2641 14
2.7593 17
2.7593 17
3.1829 7
3.3618 9
3.2641 14
2.8992 16
16 H(2)O 3.6 7
2.9799 8
3.3009 12
2.9799 8
3.3009 12
3.0092 14
2.8992 15
3.0092 14
17 H(2)O,H(2)O 3.6 7
3.2492 9
3.2971 11
2.7593 15
2.9558 7
2.7593 15
3.2492 9
2.9558 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 1 1 0 5.369 10.739 0.052 225.42 4 24.6 26.1
2 0 2 0 7.267 14.534 0.071 122.04 2 218.8 556.2
3 0 0 1 7.327 14.654 0.071 120.01 2 268.7 825.1
4 1 1 -1 7.473 14.947 0.073 115.27 4 34.4 26.0
5 2 0 0 7.929 15.857 0.077 102.17 2 158.3 243.7
6 2 0 -1 7.94 15.88 0.077 101.86 2 190.5 352.1
7 0 2 1 10.348 20.696 0.1 59.08 4 270.8 824.7
8 1 1 1 10.486 20.973 0.102 57.47 4 6.0 0.4
9 2 2 0 10.787 21.574 0.105 54.2 4 33.0 11.3
10 2 2 -1 10.795 21.591 0.105 54.11 4 78.6 63.6
11 3 1 -1 11.355 22.709 0.11 48.7 4 21.8 4.4
12 1 3 0 11.647 23.294 0.113 46.19 4 3.5 0.1
13 3 1 0 12.495 24.991 0.121 39.86 4 17.2 2.3
14 1 3 -1 12.778 25.556 0.124 38.02 4 38.1 10.5
15 2 0 1 13.117 26.234 0.127 35.98 2 95.1 31.0
16 2 0 -2 13.138 26.277 0.127 35.85 2 159.9 87.3
17 1 1 -2 13.887 27.774 0.134 31.88 4 19.5 2.3
18 4 0 -1 14.173 28.347 0.137 30.53 2 56.1 9.2
19 3 1 -2 14.565 29.13 0.141 28.8 4 51.1 14.3
20 0 4 0 14.654 29.308 0.141 28.43 2 34.9 3.3
21 0 0 2 14.777 29.555 0.143 27.93 2 61.5 10.0
22 1 3 1 14.785 29.571 0.143 27.89 4 20.2 2.2
23 2 2 1 15.059 30.117 0.145 26.82 4 8.7 0.4
24 2 2 -2 15.078 30.155 0.145 26.75 4 21.7 2.4
25 3 3 -1 15.427 30.854 0.149 25.46 4 26.7 3.5
26 4 2 -1 15.998 31.996 0.154 23.55 4 319.9 458.8
27 4 0 0 16.014 32.029 0.154 23.49 2 431.2 415.8
28 4 0 -2 16.038 32.077 0.154 23.42 2 311.0 215.6
29 3 3 0 16.304 32.608 0.157 22.6 4 17.1 1.3
30 0 4 1 16.458 32.916 0.158 22.15 4 330.2 459.9
31 0 2 2 16.541 33.082 0.159 21.9 4 330.5 455.6
32 2 4 0 16.747 33.494 0.161 21.32 4 183.3 136.4
33 2 4 -1 16.753 33.505 0.161 21.31 4 180.2 131.8
34 3 1 1 17.194 34.389 0.165 20.14 4 23.0 2.0
35 1 3 -2 17.418 34.836 0.167 19.58 4 90.7 30.7
36 1 1 2 17.46 34.92 0.168 19.47 4 110.1 44.9
37 4 2 0 17.668 35.335 0.17 18.98 4 180.5 117.7
38 4 2 -2 17.69 35.379 0.17 18.93 4 201.4 146.1
39 3 3 -2 17.976 35.951 0.173 18.27 4 30.3 3.2
40 5 1 -1 18.307 36.614 0.176 17.55 4 91.7 28.1
41 1 5 0 18.885 37.769 0.181 16.39 4 65.7 13.5
42 5 1 -2 19.087 38.174 0.183 16.01 4 11.6 0.4
43 1 5 -1 19.635 39.271 0.188 15.04 4 77.7 17.3
44 2 4 1 19.868 39.736 0.19 14.65 4 174.8 85.2
45 2 4 -2 19.883 39.766 0.19 14.63 4 168.2 78.8
46 2 0 2 19.957 39.915 0.191 14.5 2 159.0 34.9
47 2 0 -3 19.982 39.965 0.191 14.46 2 166.9 38.4
48 3 3 1 20.214 40.428 0.193 14.1 4 17.0 0.8
49 3 1 -3 20.29 40.58 0.194 13.98 4 9.7 0.2
50 1 3 2 20.446 40.891 0.195 13.74 4 25.1 1.6
51 5 1 0 20.524 41.048 0.196 13.63 4 3.8 0.0
52 4 4 -1 20.614 41.228 0.197 13.49 4 224.6 129.7
53 4 0 1 20.687 41.373 0.197 13.39 2 260.7 86.6
54 4 0 -3 20.725 41.45 0.198 13.33 2 312.6 124.0
55 0 4 2 21.054 42.108 0.201 12.87 4 254.7 159.0
56 1 5 1 21.06 42.119 0.201 12.86 4 16.4 0.7
57 5 3 -1 21.191 42.381 0.202 12.69 4 66.9 10.8
58 1 1 -3 21.204 42.408 0.202 12.67 4 39.5 3.8
59 2 2 2 21.347 42.693 0.203 12.48 4 26.8 1.7
60 2 2 -3 21.37 42.74 0.204 12.45 4 36.4 3.1
61 3 5 -1 21.537 43.074 0.205 12.23 4 10.7 0.3
62 6 0 -1 21.88 43.761 0.208 11.81 2 12.4 0.2
63 5 3 -2 21.885 43.769 0.208 11.8 4 23.0 1.2
64 6 0 -2 21.894 43.788 0.208 11.79 2 21.1 0.5
65 4 4 0 21.982 43.964 0.209 11.68 4 88.6 17.5
66 4 4 -2 22.0 44.0 0.209 11.66 4 29.4 1.9
67 4 2 1 22.038 44.076 0.21 11.62 4 17.2 0.7
68 4 2 -3 22.074 44.149 0.21 11.57 4 4.4 0.0
69 3 5 0 22.204 44.408 0.211 11.42 4 9.1 0.2
70 0 6 0 22.301 44.602 0.212 11.31 2 43.0 2.0
71 0 0 3 22.494 44.989 0.214 11.09 2 37.5 1.5
72 5 1 -3 22.604 45.208 0.215 10.97 4 71.8 10.8
73 3 3 -3 22.966 45.933 0.218 10.58 4 50.3 5.1
74 1 5 -2 23.074 46.149 0.219 10.47 4 57.7 6.6
75 6 2 -1 23.176 46.351 0.22 10.37 4 79.6 12.5
76 5 3 0 23.179 46.357 0.22 10.37 4 43.5 3.7
77 6 2 -2 23.189 46.378 0.22 10.36 4 39.6 3.1
78 3 5 -2 23.519 47.038 0.223 10.03 4 20.1 0.8
79 0 6 1 23.599 47.198 0.224 9.95 4 192.9 70.5
80 3 1 2 23.617 47.234 0.224 9.94 4 15.8 0.5
81 0 2 3 23.763 47.527 0.225 9.8 4 99.7 18.6
82 1 3 -3 23.798 47.596 0.226 9.76 4 27.4 1.4
83 2 6 0 23.814 47.628 0.226 9.75 4 73.3 10.0
84 2 6 -1 23.818 47.636 0.226 9.75 4 18.7 0.7
85 6 0 0 24.445 48.89 0.231 9.19 2 122.9 13.2
86 6 0 -3 24.483 48.966 0.232 9.16 2 112.5 11.0
87 1 1 3 25.063 50.126 0.237 8.68 4 50.1 4.1
88 5 1 1 25.082 50.164 0.237 8.67 4 61.0 6.1
89 5 3 -3 25.084 50.168 0.237 8.66 4 13.6 0.3
90 2 4 2 25.141 50.283 0.237 8.62 4 37.1 2.3
91 2 4 -3 25.162 50.324 0.238 8.6 4 92.2 13.9
92 3 5 1 25.356 50.712 0.239 8.45 4 84.6 11.5
93 1 5 2 25.55 51.101 0.241 8.31 4 57.0 5.1
94 6 2 0 25.64 51.28 0.242 8.24 4 113.0 20.0
95 6 2 -3 25.677 51.354 0.242 8.21 4 40.0 2.5
96 7 1 -2 25.745 51.491 0.243 8.17 4 68.2 7.2
97 4 4 1 25.754 51.507 0.243 8.16 4 285.0 126.2
98 4 4 -3 25.786 51.572 0.243 8.14 4 238.7 88.3
99 3 3 2 26.024 52.047 0.245 7.97 4 79.6 9.6
100 5 5 -1 26.181 52.362 0.247 7.86 4 93.6 13.1
101 2 6 1 26.241 52.483 0.247 7.82 4 1.1 0.0
102 2 6 -2 26.253 52.507 0.247 7.81 4 47.8 3.4
103 7 1 -1 26.322 52.644 0.248 7.76 4 8.4 0.1
104 1 7 0 26.619 53.239 0.25 7.57 4 22.8 0.7
105 6 4 -1 26.771 53.542 0.252 7.47 4 118.9 20.1
106 5 5 -2 26.775 53.549 0.252 7.47 4 6.1 0.1
107 6 4 -2 26.783 53.566 0.252 7.46 4 32.7 1.5
108 4 6 -1 26.847 53.695 0.252 7.42 4 98.2 13.6
109 4 0 2 26.992 53.985 0.254 7.33 2 128.0 11.4
110 4 0 -4 27.04 54.079 0.254 7.3 2 222.0 34.3
111 1 7 -1 27.199 54.397 0.256 7.21 4 35.6 1.7
112 0 6 2 27.208 54.417 0.256 7.2 4 218.1 65.2
113 3 1 -4 27.26 54.519 0.256 7.17 4 0.2 0.0
114 0 4 3 27.301 54.603 0.256 7.14 4 289.2 113.7
115 1 3 3 27.376 54.753 0.257 7.1 4 64.5 5.6
116 5 3 1 27.395 54.789 0.257 7.09 4 61.5 5.1
117 7 1 -3 27.504 55.008 0.258 7.02 4 33.4 1.5
118 2 0 3 27.557 55.114 0.259 6.99 2 75.3 3.8
119 2 0 -4 27.584 55.169 0.259 6.98 2 129.9 11.2
120 3 5 -3 27.712 55.424 0.26 6.91 4 64.3 5.4
121 5 5 0 27.897 55.795 0.262 6.8 4 0.8 0.0
122 4 6 0 27.98 55.959 0.262 6.76 4 70.7 6.4
123 4 6 -2 27.995 55.99 0.262 6.75 4 101.9 13.3
124 7 3 -2 28.019 56.038 0.263 6.74 4 39.1 2.0
125 5 1 -4 28.045 56.091 0.263 6.72 4 28.1 1.0
126 4 2 2 28.11 56.22 0.263 6.69 4 194.7 48.3
127 4 2 -4 28.156 56.312 0.264 6.66 4 168.4 36.0
128 1 7 1 28.325 56.65 0.265 6.57 4 39.5 2.0
129 1 5 -3 28.441 56.883 0.266 6.51 4 11.3 0.2
130 7 3 -1 28.564 57.128 0.267 6.45 4 39.9 2.0
131 2 2 3 28.66 57.321 0.268 6.4 4 6.8 0.1
132 2 2 -4 28.687 57.373 0.268 6.39 4 76.4 7.1
133 3 7 -1 28.71 57.42 0.269 6.37 4 42.7 2.2
134 6 4 0 29.014 58.028 0.271 6.22 4 34.6 1.4
135 6 4 -3 29.048 58.095 0.271 6.21 4 71.6 6.1
136 6 0 1 29.074 58.148 0.272 6.19 2 141.2 11.8
137 1 1 -4 29.103 58.206 0.272 6.18 4 41.6 2.0
138 6 0 -4 29.13 58.26 0.272 6.17 2 176.2 18.2
139 7 1 0 29.138 58.276 0.272 6.16 4 20.0 0.5
140 3 7 0 29.254 58.508 0.273 6.11 4 12.4 0.2
141 8 0 -2 29.322 58.644 0.274 6.08 2 453.5 119.0
142 3 3 -4 29.454 58.907 0.275 6.02 4 9.1 0.1
143 5 5 -3 29.584 59.167 0.276 5.96 4 28.9 0.9
144 7 3 -3 29.686 59.372 0.277 5.91 4 35.3 1.4
145 1 7 -2 29.974 59.948 0.279 5.78 4 1.4 0.0
146 6 2 1 30.141 60.282 0.281 5.71 4 67.2 4.9
147 6 2 -4 30.196 60.392 0.281 5.69 4 8.6 0.1
148 5 3 -4 30.202 60.404 0.281 5.69 4 46.7 2.4
149 3 7 -2 30.346 60.691 0.282 5.63 4 33.8 1.2
150 8 2 -2 30.384 60.767 0.283 5.61 4 132.2 18.7
151 8 0 -1 30.387 60.773 0.283 5.61 2 49.8 1.3
152 0 8 0 30.396 60.791 0.283 5.61 2 447.4 106.8
153 8 0 -3 30.416 60.831 0.283 5.6 2 219.2 25.6
154 3 5 2 30.428 60.856 0.283 5.59 4 56.7 3.4
155 0 0 4 30.672 61.344 0.285 5.5 2 417.4 91.2
156 2 6 2 30.69 61.38 0.285 5.49 4 93.4 9.1
157 2 6 -3 30.708 61.416 0.285 5.48 4 139.2 20.2
158 3 1 3 31.056 62.112 0.288 5.35 4 17.2 0.3
159 1 3 -4 31.214 62.428 0.29 5.29 4 51.8 2.7
160 4 6 1 31.228 62.457 0.29 5.28 4 230.4 53.4
161 5 1 2 31.243 62.486 0.29 5.28 4 80.7 6.5
162 7 3 0 31.247 62.495 0.29 5.27 4 43.5 1.9
163 4 6 -3 31.257 62.514 0.29 5.27 4 222.7 49.8
164 4 4 2 31.306 62.613 0.29 5.25 4 231.2 53.4
165 7 1 -4 31.332 62.663 0.291 5.24 4 0.6 0.0
166 4 4 -4 31.349 62.699 0.291 5.24 4 256.3 65.5
167 8 2 -1 31.427 62.853 0.291 5.21 4 232.7 53.7
168 0 8 1 31.452 62.905 0.292 5.2 4 182.8 33.1
169 8 2 -3 31.455 62.91 0.292 5.2 4 114.0 12.9
170 2 8 0 31.63 63.26 0.293 5.13 4 13.2 0.2
171 2 8 -1 31.634 63.267 0.293 5.13 4 109.2 11.7
172 1 5 3 31.657 63.314 0.293 5.13 4 75.4 5.5
173 5 5 1 31.673 63.347 0.294 5.12 4 23.9 0.6
174 0 2 4 31.707 63.414 0.294 5.11 4 52.4 2.7
175 2 4 3 31.822 63.645 0.295 5.07 4 20.7 0.4
176 2 4 -4 31.847 63.694 0.295 5.06 4 80.9 6.3
177 3 7 1 31.909 63.818 0.295 5.04 4 50.0 2.4
178 1 7 2 32.077 64.154 0.297 4.98 4 66.9 4.2
179 6 6 -1 32.132 64.264 0.297 4.96 4 122.8 14.2
180 6 6 -2 32.142 64.285 0.297 4.96 4 106.8 10.8
181 7 5 -2 32.246 64.492 0.298 4.92 4 29.8 0.8
182 0 6 3 32.607 65.213 0.301 4.81 4 279.9 71.7
183 5 7 -1 32.625 65.249 0.301 4.8 4 15.3 0.2
184 7 5 -1 32.748 65.496 0.302 4.76 4 91.2 7.6
185 3 3 3 33.094 66.188 0.305 4.66 4 21.8 0.4
186 5 7 -2 33.144 66.289 0.306 4.64 4 13.7 0.2
187 6 4 1 33.219 66.439 0.306 4.62 4 139.6 17.2
188 6 4 -4 33.271 66.543 0.307 4.6 4 57.6 2.9
189 5 3 2 33.275 66.549 0.307 4.6 4 46.6 1.9
190 1 1 4 33.298 66.597 0.307 4.6 4 58.3 3.0
191 7 3 -4 33.36 66.72 0.307 4.58 4 11.1 0.1
192 8 4 -2 33.449 66.899 0.308 4.55 4 114.8 11.4
193 8 0 0 33.488 66.975 0.308 4.54 2 121.2 6.3
194 8 0 -4 33.543 67.086 0.309 4.53 2 115.1 5.7
195 3 5 -4 33.572 67.143 0.309 4.52 4 48.4 2.0
196 2 8 1 33.678 67.357 0.31 4.49 4 16.3 0.2
197 2 8 -2 33.689 67.377 0.31 4.48 4 21.2 0.4
198 9 1 -2 33.739 67.478 0.31 4.47 4 75.5 4.9
199 7 5 -3 33.788 67.576 0.311 4.46 4 0.6 0.0
200 7 1 1 33.838 67.676 0.311 4.44 4 26.5 0.6
201 3 7 -3 33.972 67.945 0.312 4.41 4 23.2 0.5
202 5 7 0 34.137 68.275 0.314 4.36 4 13.8 0.2
203 6 6 0 34.157 68.315 0.314 4.36 4 37.0 1.1
204 6 6 -3 34.188 68.376 0.314 4.35 4 167.0 23.1
205 4 8 -1 34.201 68.402 0.314 4.35 4 32.1 0.9
206 9 1 -3 34.257 68.514 0.315 4.33 4 5.4 0.0
207 5 5 -4 34.269 68.538 0.315 4.33 4 0.9 0.0
208 4 0 3 34.434 68.868 0.316 4.28 2 21.7 0.2
209 8 4 -1 34.442 68.883 0.316 4.28 4 306.0 76.4
210 8 4 -3 34.469 68.938 0.316 4.28 4 254.1 52.6
211 8 2 0 34.477 68.953 0.316 4.27 4 230.0 43.1
212 4 0 -5 34.488 68.977 0.317 4.27 2 65.4 1.7
213 0 8 2 34.515 69.03 0.317 4.26 4 72.5 4.3
214 8 2 -4 34.531 69.062 0.317 4.26 4 259.2 54.5
215 1 7 -3 34.623 69.246 0.318 4.24 4 28.7 0.7
216 0 4 4 34.709 69.418 0.318 4.22 4 95.4 7.3
217 5 1 -5 34.873 69.747 0.32 4.18 4 63.9 3.2
218 1 9 0 34.986 69.972 0.321 4.15 4 44.3 1.5
219 3 1 -5 35.174 70.348 0.322 4.1 4 52.0 2.1
220 4 8 0 35.19 70.38 0.322 4.1 4 200.0 31.2
221 4 8 -2 35.204 70.407 0.322 4.1 4 213.2 35.4
222 1 5 -4 35.218 70.436 0.322 4.09 4 35.1 1.0
223 9 1 -1 35.221 70.443 0.322 4.09 4 28.1 0.6
224 7 5 0 35.249 70.498 0.323 4.09 4 45.9 1.6
225 1 3 4 35.269 70.537 0.323 4.08 4 16.7 0.2
226 6 0 2 35.278 70.556 0.323 4.08 2 44.8 0.8
227 6 0 -5 35.349 70.697 0.323 4.06 2 2.8 0.0
228 4 2 3 35.41 70.821 0.324 4.05 4 243.0 45.5
229 4 2 -5 35.464 70.929 0.324 4.04 4 261.3 52.5
230 1 9 -1 35.482 70.964 0.324 4.03 4 39.8 1.2
231 5 7 -3 35.652 71.305 0.326 3.99 4 63.1 3.0
232 9 3 -2 35.698 71.395 0.326 3.98 4 8.3 0.1
233 7 3 1 35.794 71.588 0.327 3.96 4 47.5 1.7
234 2 0 4 35.915 71.831 0.328 3.94 2 63.2 1.5
235 2 0 -5 35.946 71.891 0.328 3.93 2 89.7 3.0
236 9 3 -3 36.203 72.406 0.33 3.88 4 24.9 0.5
237 6 2 2 36.244 72.489 0.33 3.87 4 12.3 0.1
238 4 6 2 36.271 72.543 0.331 3.86 4 165.3 20.1
239 4 6 -4 36.311 72.623 0.331 3.85 4 127.4 11.9
240 6 2 -5 36.314 72.629 0.331 3.85 4 21.4 0.3
241 3 7 2 36.421 72.842 0.332 3.83 4 20.6 0.3
242 1 9 1 36.459 72.918 0.332 3.82 4 0.7 0.0
243 9 1 -4 36.737 73.474 0.334 3.77 4 87.1 5.4
244 2 6 3 36.752 73.505 0.334 3.77 4 18.9 0.3
245 2 6 -4 36.776 73.551 0.335 3.76 4 61.1 2.7
246 3 9 -1 36.796 73.592 0.335 3.76 4 38.7 1.1
247 5 3 -5 36.805 73.61 0.335 3.76 4 13.5 0.1
248 7 1 -5 36.872 73.744 0.335 3.74 4 0.2 0.0
249 2 2 4 36.875 73.75 0.335 3.74 4 11.4 0.1
250 2 2 -5 36.905 73.81 0.336 3.74 4 71.9 3.7
251 3 5 3 36.997 73.994 0.336 3.72 4 22.7 0.4
252 3 3 -5 37.099 74.199 0.337 3.7 4 42.5 1.3
253 9 3 -1 37.146 74.291 0.338 3.69 4 18.9 0.3
254 5 5 2 37.169 74.338 0.338 3.69 4 23.6 0.4
255 7 5 -4 37.251 74.501 0.338 3.67 4 28.1 0.6
256 3 9 0 37.276 74.551 0.339 3.67 4 45.0 1.4
257 8 4 0 37.372 74.744 0.339 3.65 4 184.6 23.7
258 8 4 -4 37.425 74.85 0.34 3.64 4 185.0 23.7
259 1 7 3 37.551 75.102 0.341 3.62 4 6.9 0.0
260 5 7 1 37.566 75.132 0.341 3.62 4 8.7 0.1
261 2 8 2 37.613 75.227 0.341 3.61 4 25.0 0.4
262 2 8 -3 37.63 75.26 0.341 3.61 4 102.5 7.2
263 1 1 -5 37.752 75.504 0.342 3.59 4 55.6 2.1
264 1 9 -2 37.915 75.831 0.344 3.56 4 76.3 3.9
265 10 0 -2 37.977 75.954 0.344 3.55 2 104.9 3.7
266 10 0 -3 37.993 75.987 0.344 3.55 2 104.6 3.7
267 6 6 1 38.065 76.13 0.345 3.53 4 127.4 10.9
268 7 7 -2 38.097 76.194 0.345 3.53 4 44.4 1.3
269 4 8 1 38.103 76.207 0.345 3.53 4 262.2 46.2
270 6 6 -4 38.114 76.228 0.345 3.53 4 29.6 0.6
271 4 8 -3 38.13 76.259 0.345 3.52 4 296.2 58.8
272 3 9 -2 38.248 76.496 0.346 3.5 4 71.8 3.4
273 4 4 3 38.277 76.554 0.346 3.5 4 270.6 48.8
274 8 6 -2 38.282 76.564 0.346 3.5 4 181.0 21.8
275 4 4 -5 38.33 76.659 0.347 3.49 4 323.6 69.6
276 8 0 1 38.383 76.766 0.347 3.48 2 209.1 14.5
277 8 0 -5 38.461 76.923 0.348 3.47 2 100.3 3.3
278 7 7 -1 38.564 77.129 0.348 3.45 4 17.5 0.2
279 9 1 0 38.604 77.209 0.349 3.45 4 105.6 7.3
280 9 3 -4 38.632 77.264 0.349 3.44 4 64.5 2.7
281 5 1 3 38.696 77.392 0.349 3.43 4 127.9 10.7
282 7 3 -5 38.765 77.53 0.35 3.42 4 50.2 1.6
283 10 2 -2 38.918 77.837 0.351 3.4 4 33.2 0.7
284 6 8 -1 38.932 77.864 0.351 3.4 4 54.7 1.9
285 10 2 -3 38.935 77.869 0.351 3.4 4 20.3 0.3
286 6 8 -2 38.942 77.884 0.351 3.4 4 47.2 1.4
287 1 5 4 39.079 78.159 0.352 3.38 4 5.4 0.0
288 6 4 2 39.088 78.177 0.352 3.38 4 41.3 1.1
289 6 4 -5 39.157 78.313 0.353 3.37 4 24.1 0.4
290 8 6 -1 39.224 78.447 0.353 3.36 4 175.2 19.6
291 0 10 0 39.232 78.463 0.354 3.36 2 77.6 1.9
292 8 6 -3 39.25 78.499 0.354 3.35 4 199.9 25.5
293 8 2 1 39.321 78.642 0.354 3.34 4 63.7 2.6
294 3 7 -4 39.336 78.672 0.354 3.34 4 17.0 0.2
295 0 8 3 39.371 78.741 0.355 3.34 4 135.4 11.6
296 8 2 -5 39.399 78.798 0.355 3.33 4 179.4 20.4
297 0 6 4 39.479 78.957 0.355 3.32 4 101.3 6.5
298 3 1 4 39.482 78.964 0.355 3.32 4 49.6 1.6
299 9 5 -2 39.493 78.987 0.356 3.32 4 34.8 0.8
300 7 7 -3 39.539 79.079 0.356 3.31 4 16.0 0.2
301 7 5 1 39.587 79.173 0.356 3.31 4 17.5 0.2
302 0 0 5 39.617 79.234 0.356 3.3 2 76.0 1.8
303 1 3 -5 39.631 79.262 0.357 3.3 4 16.9 0.2
304 3 9 1 39.663 79.326 0.357 3.3 4 1.8 0.0
305 2 4 4 39.704 79.408 0.357 3.29 4 87.7 4.8
306 2 4 -5 39.733 79.466 0.357 3.29 4 107.6 7.3
307 1 9 2 39.817 79.633 0.358 3.28 4 55.8 1.9
308 10 0 -1 39.868 79.735 0.358 3.27 2 76.0 1.8
309 10 0 -4 39.916 79.832 0.359 3.27 2 132.5 5.5
310 9 5 -3 39.982 79.963 0.359 3.26 4 15.8 0.2
311 5 7 -4 39.993 79.987 0.359 3.26 4 23.1 0.3
312 7 1 2 40.141 80.282 0.36 3.24 4 57.5 2.0
313 0 10 1 40.18 80.36 0.361 3.23 4 179.8 19.9
314 5 9 -1 40.319 80.638 0.362 3.22 4 82.2 4.1
315 2 10 0 40.34 80.681 0.362 3.21 4 57.5 2.0
316 2 10 -1 40.343 80.687 0.362 3.21 4 65.1 2.6
317 9 3 0 40.472 80.944 0.363 3.2 4 31.8 0.6
318 0 2 5 40.548 81.095 0.363 3.19 4 134.2 10.9
319 5 3 3 40.563 81.125 0.364 3.19 4 1.7 0.0
320 5 5 -5 40.566 81.132 0.364 3.19 4 112.0 7.6
321 10 2 -1 40.797 81.593 0.365 3.16 4 26.6 0.4
322 5 9 -2 40.799 81.597 0.365 3.16 4 78.4 3.7
323 6 8 0 40.817 81.633 0.365 3.16 4 21.4 0.3
324 10 2 -4 40.845 81.69 0.366 3.16 4 5.2 0.0
325 6 8 -3 40.846 81.691 0.366 3.15 4 11.9 0.1
326 3 5 -5 40.852 81.703 0.366 3.15 4 25.7 0.4
327 1 7 -4 40.893 81.786 0.366 3.15 4 18.8 0.2
328 9 5 -1 40.897 81.793 0.366 3.15 4 57.7 2.0
329 7 7 0 40.923 81.846 0.366 3.15 4 12.8 0.1
330 9 1 -5 41.046 82.092 0.367 3.13 4 14.5 0.1
331 3 3 4 41.34 82.68 0.369 3.1 4 72.4 3.1
332 3 9 -3 41.569 83.137 0.371 3.08 4 36.7 0.8
333 10 4 -2 41.707 83.414 0.372 3.07 4 201.5 23.7
334 5 9 0 41.723 83.445 0.372 3.06 4 25.9 0.4
335 10 4 -3 41.723 83.446 0.372 3.06 4 47.0 1.3
336 7 3 2 41.992 83.984 0.374 3.04 4 57.1 1.9
337 8 6 0 42.04 84.081 0.374 3.03 4 93.1 5.0
338 8 6 -4 42.092 84.183 0.375 3.03 4 89.3 4.6
339 8 4 1 42.104 84.207 0.375 3.03 4 134.1 10.4
340 1 9 -3 42.178 84.356 0.375 3.02 4 4.8 0.0
341 8 4 -5 42.18 84.361 0.375 3.02 4 178.5 18.3
342 2 10 1 42.217 84.434 0.376 3.02 4 14.6 0.1
343 2 10 -2 42.227 84.453 0.376 3.02 4 88.4 4.5
344 9 5 -4 42.348 84.695 0.377 3.01 4 13.1 0.1
345 1 1 5 42.469 84.938 0.377 3.0 4 13.5 0.1
346 7 5 -5 42.478 84.956 0.377 3.0 4 44.1 1.1
347 3 7 3 42.598 85.196 0.378 2.99 4 19.8 0.2
348 11 1 -3 42.62 85.24 0.379 2.98 4 39.2 0.9
349 4 10 -1 42.703 85.407 0.379 2.98 4 278.6 44.0
350 5 7 2 42.764 85.529 0.38 2.97 4 58.9 2.0
351 4 8 2 42.821 85.642 0.38 2.97 4 174.4 17.2
352 7 7 -4 42.843 85.686 0.38 2.97 4 15.4 0.1
353 4 8 -4 42.859 85.718 0.38 2.96 4 163.0 15.0
354 9 3 -5 42.89 85.78 0.38 2.96 4 0.6 0.0
355 6 0 3 42.907 85.814 0.381 2.96 2 130.6 4.8
356 4 6 3 42.921 85.841 0.381 2.96 4 188.7 20.1
357 4 6 -5 42.972 85.943 0.381 2.96 4 188.8 20.1
358 6 0 -6 42.993 85.986 0.381 2.95 2 145.8 6.0
359 0 10 2 42.996 85.993 0.381 2.95 4 319.0 57.3
360 5 1 -6 43.01 86.021 0.381 2.95 4 45.8 1.2
361 4 0 4 43.051 86.101 0.382 2.95 2 375.6 39.6
362 11 1 -2 43.07 86.139 0.382 2.95 4 36.8 0.8
363 4 0 -6 43.114 86.229 0.382 2.95 2 283.0 22.5
364 5 9 -3 43.15 86.3 0.382 2.94 4 5.7 0.0
365 2 8 3 43.282 86.564 0.383 2.93 4 64.2 2.3
366 2 8 -4 43.304 86.609 0.383 2.93 4 42.5 1.0
367 0 4 5 43.315 86.63 0.383 2.93 4 207.7 24.1
368 1 5 -5 43.328 86.657 0.384 2.93 4 95.0 5.0
369 10 4 -1 43.561 87.123 0.385 2.91 4 76.2 3.2
370 10 0 0 43.606 87.212 0.386 2.91 2 87.7 2.1
371 10 4 -4 43.609 87.218 0.386 2.91 4 190.8 20.2
372 4 10 0 43.631 87.262 0.386 2.91 4 102.0 5.8
373 4 10 -2 43.644 87.287 0.386 2.91 4 206.2 23.5
374 10 0 -5 43.686 87.371 0.386 2.9 2 77.4 1.7
375 6 6 2 43.714 87.427 0.386 2.9 4 73.8 3.0
376 9 1 1 43.768 87.536 0.387 2.9 4 0.1 0.0
377 6 6 -5 43.78 87.561 0.387 2.9 4 109.9 6.7
378 6 2 3 43.825 87.65 0.387 2.9 4 15.0 0.1
379 3 9 2 43.882 87.764 0.387 2.89 4 33.3 0.6
380 6 2 -6 43.911 87.822 0.388 2.89 4 5.7 0.0
381 4 2 4 43.969 87.938 0.388 2.89 4 163.3 14.7
382 7 1 -6 43.981 87.961 0.388 2.89 4 20.0 0.2
383 4 2 -6 44.032 88.065 0.389 2.88 4 174.5 16.7
384 11 1 -4 44.038 88.075 0.389 2.88 4 12.1 0.1
385 9 5 0 44.158 88.315 0.389 2.87 4 22.5 0.3
386 3 1 -6 44.223 88.446 0.39 2.87 4 9.2 0.0
387 5 5 3 44.247 88.494 0.39 2.87 4 31.5 0.5
388 1 3 5 44.306 88.611 0.39 2.87 4 37.5 0.8
389 2 6 4 44.318 88.635 0.391 2.87 4 109.2 6.5
390 2 6 -5 44.346 88.692 0.391 2.86 4 70.8 2.7
391 1 11 0 44.356 88.712 0.391 2.86 4 59.1 1.9
392 11 3 -3 44.456 88.912 0.392 2.86 4 16.5 0.1
393 10 2 0 44.523 89.047 0.392 2.85 4 12.1 0.1
394 6 8 1 44.549 89.099 0.392 2.85 4 72.2 2.8
395 6 8 -4 44.597 89.194 0.392 2.85 4 85.7 4.0
396 10 2 -5 44.603 89.206 0.393 2.85 4 25.2 0.3
397 1 7 4 44.622 89.244 0.393 2.85 4 38.0 0.8
398 8 8 -2 44.761 89.522 0.394 2.84 4 314.3 53.4
399 1 11 -1 44.824 89.647 0.394 2.84 4 58.4 1.8
400 5 3 -6 44.845 89.691 0.394 2.84 4 73.9 2.9
401 11 3 -2 44.905 89.809 0.395 2.83 4 31.4 0.5
402 8 0 2 44.952 89.904 0.395 2.83 2 285.2 21.9
403 1 9 3 44.968 89.937 0.395 2.83 4 38.7 0.8
404 5 9 1 44.983 89.967 0.395 2.83 4 96.0 5.0
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 1 1 0 5.369 10.739 9.55845 26.1 3.0 3.0 5.6
2 0 2 0 7.267 14.534 7.0713 556.2 63.6 64.4 5.6
3 0 0 1 7.327 14.654 7.01366 825.1 94.3 95.5 5.6
4 1 1 -1 7.473 14.947 6.87707 26.0 3.0 3.0 5.6
5 2 0 -1 7.94 15.88 6.47502 595.8 68.1 68.9 5.6
6 0 2 1 10.348 20.696 4.97966 824.7 94.3 95.1 5.6
7 2 2 -1 10.795 21.591 4.77544 74.9 8.6 8.6 5.6
8 1 3 -1 12.778 25.556 4.04419 10.5 1.2 1.2 5.6
9 2 0 -2 13.138 26.277 3.9351 118.3 13.5 13.6 5.6
10 4 0 -1 14.173 28.347 3.65297 9.2 1.0 1.1 5.6
11 3 1 -2 14.565 29.13 3.55679 14.3 1.6 1.6 5.6
12 0 0 2 14.777 29.555 3.50683 12.2 1.4 1.4 5.6
13 4 2 -1 15.998 31.996 3.24549 874.7 100.0 100.0 5.6
14 4 0 -2 16.038 32.077 3.23751 215.6 24.6 24.6 5.6
15 0 4 1 16.458 32.916 3.15718 459.9 52.6 52.5 5.6
16 0 2 2 16.541 33.082 3.14171 455.6 52.1 52.0 5.6
17 2 4 0 16.747 33.494 3.1042 268.2 30.7 30.6 5.7
18 1 3 -2 17.418 34.836 2.9881 30.7 3.5 3.5 5.7
19 1 1 2 17.46 34.92 2.98117 44.9 5.1 5.1 5.7
20 4 2 -2 17.69 35.379 2.94366 263.9 30.2 30.1 5.7
21 5 1 -1 18.307 36.614 2.84764 28.1 3.2 3.2 5.7
22 1 5 0 18.885 37.769 2.76356 13.5 1.5 1.5 5.7
23 1 5 -1 19.635 39.271 2.66183 17.3 2.0 2.0 5.7
24 2 4 1 19.868 39.736 2.6319 164.0 18.8 18.6 5.7
25 2 0 -3 19.982 39.965 2.61745 73.3 8.4 8.3 5.7
26 4 4 -1 20.614 41.228 2.54055 129.7 14.8 14.7 5.7
27 4 0 1 20.687 41.373 2.53204 86.6 9.9 9.8 5.7
28 4 0 -3 20.725 41.45 2.52755 124.0 14.2 14.1 5.7
29 0 4 2 21.054 42.108 2.48983 159.7 18.3 18.1 5.7
30 5 3 -1 21.191 42.381 2.47449 14.6 1.7 1.6 5.7
31 4 4 0 21.982 43.964 2.38961 19.4 2.2 2.2 5.7
32 5 1 -3 22.604 45.208 2.32714 10.8 1.2 1.2 5.7
33 6 2 -1 23.176 46.351 2.27279 19.4 2.2 2.2 5.7
34 0 6 1 23.599 47.198 2.2343 71.0 8.1 8.0 5.7
35 0 2 3 23.763 47.527 2.21972 18.6 2.1 2.1 5.7
36 2 6 0 23.814 47.628 2.21528 12.0 1.4 1.4 5.7
37 6 0 0 24.445 48.89 2.16149 13.2 1.5 1.5 5.7
38 6 0 -3 24.483 48.966 2.15834 11.0 1.3 1.2 5.7
39 5 1 1 25.082 50.164 2.10999 10.6 1.2 1.2 5.7
40 2 4 -3 25.162 50.324 2.10371 16.2 1.9 1.8 5.8
41 3 5 1 25.356 50.712 2.08869 11.5 1.3 1.3 5.8
42 6 2 0 25.64 51.28 2.06707 20.0 2.3 2.2 5.8
43 4 4 1 25.754 51.507 2.05859 133.5 15.3 15.0 5.8
44 4 4 -3 25.786 51.572 2.05618 88.3 10.1 9.9 5.8
45 3 3 2 26.024 52.047 2.03869 9.6 1.1 1.1 5.8
46 5 5 -1 26.181 52.362 2.0273 13.1 1.5 1.5 5.8
47 6 4 -1 26.771 53.542 1.98581 21.7 2.5 2.4 5.8
48 4 6 -1 26.847 53.695 1.98058 13.6 1.6 1.5 5.8
49 4 0 2 26.992 53.985 1.97073 11.4 1.3 1.3 5.8
50 4 0 -4 27.04 54.079 1.96755 34.3 3.9 3.8 5.8
51 0 6 2 27.208 54.417 1.95627 66.9 7.7 7.5 5.8
52 0 4 3 27.301 54.603 1.95012 113.7 13.0 12.7 5.8
53 1 3 3 27.376 54.753 1.94518 10.7 1.2 1.2 5.8
54 2 0 -4 27.584 55.169 1.93165 15.0 1.7 1.7 5.8
55 4 6 -2 27.995 55.99 1.90556 22.7 2.6 2.5 5.8
56 4 2 2 28.11 56.22 1.89838 48.3 5.5 5.4 5.8
57 4 2 -4 28.156 56.312 1.89554 36.0 4.1 4.0 5.8
58 2 2 -4 28.687 57.373 1.86338 9.3 1.1 1.0 5.8
59 6 0 1 29.074 58.148 1.84069 17.8 2.0 2.0 5.8
60 6 0 -4 29.13 58.26 1.83745 20.3 2.3 2.2 5.8
61 8 0 -2 29.322 58.644 1.82648 119.0 13.6 13.2 5.8
62 0 8 0 30.396 60.791 1.76783 155.9 17.8 17.2 5.8
63 0 0 4 30.672 61.344 1.75342 100.3 11.5 11.1 5.8
64 2 6 -3 30.708 61.416 1.75156 20.2 2.3 2.2 5.8
65 4 6 -3 31.257 62.514 1.72383 114.3 13.1 12.6 5.8
66 4 4 2 31.306 62.613 1.72139 53.4 6.1 5.9 5.8
67 4 4 -4 31.349 62.699 1.71927 65.5 7.5 7.2 5.8
68 8 2 -1 31.427 62.853 1.71548 99.6 11.4 11.0 5.9
69 2 8 -1 31.634 63.267 1.70541 17.2 2.0 1.9 5.9
70 6 6 -1 32.132 64.264 1.68173 25.0 2.9 2.8 5.9
71 0 6 3 32.607 65.213 1.65989 71.9 8.2 7.9 5.9
72 6 4 1 33.219 66.439 1.63268 17.2 2.0 1.9 5.9
73 8 4 -2 33.449 66.899 1.62275 11.4 1.3 1.3 5.9
74 6 6 -3 34.188 68.376 1.59181 23.9 2.7 2.6 5.9
75 8 4 -1 34.442 68.883 1.58153 129.0 14.7 14.1 5.9
76 8 2 0 34.477 68.953 1.58012 44.8 5.1 4.9 5.9
77 8 2 -4 34.531 69.062 1.57794 58.8 6.7 6.4 5.9
78 4 8 -2 35.204 70.407 1.55158 68.8 7.9 7.5 5.9
79 4 2 3 35.41 70.821 1.54369 45.5 5.2 5.0 5.9
80 4 2 -5 35.464 70.929 1.54165 53.7 6.1 5.8 5.9
81 4 6 2 36.271 72.543 1.51191 20.1 2.3 2.2 6.0
82 4 6 -4 36.311 72.623 1.51047 12.2 1.4 1.3 6.0
83 8 4 0 37.372 74.744 1.4736 23.7 2.7 2.6 6.0
84 8 4 -4 37.425 74.85 1.47183 23.7 2.7 2.6 6.0
85 6 6 1 38.065 76.13 1.45075 10.9 1.2 1.2 6.0
86 4 8 -3 38.13 76.259 1.44865 106.9 12.2 11.5 6.0
87 4 4 3 38.277 76.554 1.44392 74.1 8.5 8.0 6.0
88 4 4 -5 38.33 76.659 1.44225 69.6 8.0 7.5 6.0
89 8 0 1 38.383 76.766 1.44055 14.5 1.7 1.6 6.0
90 9 1 0 38.604 77.209 1.43357 10.0 1.1 1.1 6.0
91 5 1 3 38.696 77.392 1.4307 10.7 1.2 1.1 6.0
92 8 6 -3 39.25 78.499 1.41372 47.1 5.4 5.0 6.0
93 8 2 -5 39.399 78.798 1.40923 32.1 3.7 3.4 6.0
94 0 6 4 39.479 78.957 1.40685 8.8 1.0 0.9 6.0
95 2 4 -5 39.733 79.466 1.39932 12.1 1.4 1.3 6.0
96 0 10 1 40.18 80.36 1.38636 19.9 2.3 2.1 6.0
97 5 9 -1 40.319 80.638 1.38238 8.7 1.0 0.9 6.1
98 0 2 5 40.548 81.095 1.37592 18.6 2.1 2.0 6.1
99 10 4 -2 41.707 83.414 1.34441 25.4 2.9 2.7 6.1
100 8 4 1 42.104 84.207 1.33407 15.0 1.7 1.6 6.1
101 8 4 -5 42.18 84.361 1.3321 18.3 2.1 1.9 6.1
102 4 10 -1 42.703 85.407 1.31887 44.0 5.0 4.6 6.1
103 4 8 2 42.821 85.642 1.31595 17.3 2.0 1.8 6.1
104 4 8 -4 42.859 85.718 1.315 15.0 1.7 1.6 6.1
105 4 6 3 42.921 85.841 1.31348 24.9 2.8 2.6 6.1
106 0 10 2 42.996 85.993 1.31162 84.5 9.7 8.9 6.1
107 4 0 4 43.051 86.101 1.31028 40.4 4.6 4.2 6.1
108 4 0 -6 43.114 86.229 1.30873 22.5 2.6 2.4 6.1
109 0 4 5 43.315 86.63 1.30387 29.1 3.3 3.1 6.1
110 4 10 0 43.631 87.262 1.2963 51.6 5.9 5.4 6.2
111 4 2 4 43.969 87.938 1.28835 14.9 1.7 1.6 6.2
112 4 2 -6 44.032 88.065 1.28687 16.8 1.9 1.8 6.2
113 2 6 4 44.318 88.635 1.2803 9.2 1.1 1.0 6.2
114 8 8 -2 44.761 89.522 1.27027 53.4 6.1 5.6 6.2
115 8 0 2 44.952 89.904 1.26602 22.7 2.6 2.4 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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