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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KORAGOITE
1, DN
(Mn,Fe)(3)(Nb,Mn)(2)(Nb,Ta,Ti)(3)(W,Ta)(2)O(20)
Monoclinic P 2(1) Z = 2
R =0.054 NR =1041
9 .10 .1995
Ref.Str.:
Yamnova N.A., Pushcharovskii D.Yu., Volshin A.V. (1995)
* Kristallogr., 40, 3, 469-475
Reserv:
[Mn(2.76)Fe(0.1)][Nb(0.8)Mn(0.2)][Nb(2.0)Ta(0.65)W(0.1)]
[W(1.71)Ti(0.09)]O(20) D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 24.73 alpha = 90.0
b = 5.056 beta = 103.5
c = 5.76 gamma = 90.0
Unit cell volume (cub. angs.) = 700.3
Molar volume ( cub.cm/mol.) = 210.91
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6025 0.239 0.76 1.5 Mn = 0.9 , Fe = 0.1
2 0.3011 0.263 0.97 2.4 Mn = 1.00
3 0.101 0.751 0.449 2.0 Mn = 0.86, Mn = 0.0
4 0.8024 0.2725 0.9336 0.36 Ta = 0.66, W = 0.09
5 0.1979 0.267 0.3862 0.2 Nb = 1.00
6 0.6992 0.276 0.3697 0.83 Nb = 1.00
7 0.1003 0.2871 0.7874 1.11 Nb = 0.8 , Mn = 0.2
8 0.3988 0.267 0.5824 0.56 Nb = 0.8 , Mn = 0.2
9 0.9993 0.2875 0.1645 0.35 W = 0.9 , W = 0.0
10 0.5003 0.2581 0.1916 0.36 W = 0.81, Ti = 0.09
11 0.446 0.11 0.301 1.7 O = 1.00
12 0.247 0.117 0.129 0.5 O = 1.00
13 0.446 0.614 0.545 1.4 O = 1.00
14 0.049 0.131 0.42 0.6 O = 1.00
15 0.243 0.627 0.361 0.1 O = 1.00
16 0.34 0.461 0.736 0.6 O = 1.00
17 0.251 0.101 0.611 2.9 O = 1.00
18 0.156 0.95 0.275 0.8 O = 1.00
19 0.35 0.437 0.201 1.0 O = 1.00
20 0.148 0.938 0.753 0.8 O = 1.00
21 0.258 0.603 0.876 0.9 O = 1.00
22 0.158 0.476 0.068 2.1 O = 1.00
23 0.045 0.6 0.144 0.6 O = 1.00
24 0.355 0.932 0.446 0.2 O = 1.00
25 0.05 0.14 0.95 4.3 O = 1.00
26 0.455 0.079 0.825 0.9 O = 1.00
27 0.339 0.962 0.934 0.2 O = 1.00
28 0.047 0.634 0.674 0.4 O = 1.00
29 0.454 0.562 0.057 1.4 O = 1.00
30 0.155 0.449 0.55 6.4 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6025 0.239 0.76
2 2 0.3011 0.263 0.97
3 3 0.101 0.751 0.449
4 4 0.8024 0.2725 0.9336
5 5 0.1979 0.267 0.3862
6 6 0.6992 0.276 0.3697
7 7 0.1003 0.2871 0.7874
8 8 0.3988 0.267 0.5824
9 9 0.9993 0.2875 0.1645
10 10 0.5003 0.2581 0.1916
11 11 0.446 0.11 0.301
12 12 0.247 0.117 0.129
13 13 0.446 0.614 0.545
14 14 0.049 0.131 0.42
15 15 0.243 0.627 0.361
16 16 0.34 0.461 0.736
17 17 0.251 0.101 0.611
18 18 0.156 0.95 0.275
19 19 0.35 0.437 0.201
20 20 0.148 0.938 0.753
21 21 0.258 0.603 0.876
22 22 0.158 0.476 0.068
23 23 0.045 0.6 0.144
24 24 0.355 0.932 0.446
25 25 0.05 0.14 0.95
26 26 0.455 0.079 0.825
27 27 0.339 0.962 0.934
28 28 0.047 0.634 0.674
29 29 0.454 0.562 0.057
30 30 0.155 0.449 0.55
31 1 0.3975 0.739 0.24
32 2 0.6989 0.763 0.03
33 3 0.899 0.251 0.551
34 4 0.1976 0.7725 0.0664
35 5 0.8021 0.767 0.6138
36 6 0.3008 0.776 0.6303
37 7 0.8997 0.7871 0.2126
38 8 0.6012 0.767 0.4176
39 9 0.0007 0.7875 0.8355
40 10 0.4997 0.7581 0.8084
41 11 0.554 0.61 0.699
42 12 0.753 0.617 0.871
43 13 0.554 0.114 0.455
44 14 0.951 0.631 0.58
45 15 0.757 0.127 0.639
46 16 0.66 0.961 0.264
47 17 0.749 0.601 0.389
48 18 0.844 0.45 0.725
49 19 0.65 0.937 0.799
50 20 0.852 0.438 0.247
51 21 0.742 0.103 0.124
52 22 0.842 0.976 0.932
53 23 0.955 0.1 0.856
54 24 0.645 0.432 0.554
55 25 0.95 0.64 0.05
56 26 0.545 0.579 0.175
57 27 0.661 0.462 0.066
58 28 0.953 0.134 0.326
59 29 0.546 0.062 0.943
60 30 0.845 0.949 0.45
X-ray density (g/cm cub.) = 6.11
MU (1/cm) = 934.46 Mass attenuation coefficient (cm**2/g) = 153.0
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe 2.724 6
2.2099 11
1.9851 13
1.9075 19
2.0117 24
2.2979 27
2.1335 29
2 Mn 2.724 6
1.9354 12
2.0856 16
2.2991 17
1.8043 19
2.0285 21
1.8244 27
3 Mn ,Mn 2.724 6
2.2962 14
2.1221 18
2.0882 20
2.1098 23
2.1496 28
2.0225 30
4 Ta ,W 2.448 6
2.1097 12
1.9472 15
1.9709 18
2.1047 20
2.2211 21
1.7918 22
5 Nb 2.436 6
2.2548 12
2.1572 15
1.8198 17
1.9347 18
2.146 22
1.8248 30
6 Nb 2.436 6
1.9954 15
1.8898 16
2.0409 17
2.1419 21
2.0518 24
2.0163 27
7 Nb ,Mn 2.724 6
2.3361 14
2.1576 20
2.1175 22
1.8766 25
2.1996 28
2.2877 30
8 Nb ,Mn 2.724 6
2.3459 11
2.1458 13
2.1119 16
2.4049 19
2.0645 24
1.97 26
9 W ,W 2.448 6
1.8596 14
1.9621 23
2.0924 25
2.0851 23
2.1731 25
1.81 28
10 W ,Ti 2.568 6
1.7765 11
2.3301 26
1.9643 29
1.9119 13
1.9781 26
2.2508 29
11 O 3.264 10
2.9101 13
2.8748 13
2.8395 19
2.7294 24
2.9783 26
2.8065 26
3.069 27
2.7142 29
3.1338 29
2.6105 13
12 O 3.264 12
2.9165 15
2.8275 15
2.7561 17
3.0094 17
2.7144 18
2.9639 19
3.0047 20
2.9018 21
3.0227 21
2.8109 22
3.0109 24
2.8714 27
13 O 3.264 10
2.8748 11
2.9101 11
3.1665 16
2.8578 19
2.7158 24
2.8303 26
3.1305 26
2.9212 29
2.8756 29
2.6105 11
14 O 3.264 10
3.0933 18
2.9039 20
2.8437 23
3.1099 23
3.0475 25
2.7135 25
2.9401 28
2.9139 28
3.0168 30
2.3086 28
15 O 3.264 12
2.8275 12
2.9165 12
2.9504 16
2.7791 17
3.0087 17
2.654 18
3.1484 19
2.9048 21
2.9052 21
2.4887 22
3.1074 24
2.7995 30
16 O 3.264 11
3.1665 13
2.9504 15
2.8171 17
2.6345 19
3.1509 19
2.4579 21
2.9813 24
3.2204 24
2.7804 27
2.7712 27
3.0321 29
17 O 3.264 12
3.0094 12
2.7561 12
3.0087 15
2.7791 15
2.8171 16
2.7794 18
2.968 20
2.9459 21
2.9285 21
3.0642 24
2.6079 27
2.9096 30
18 O 3.264 12
2.7144 12
3.0933 14
2.654 15
2.7794 17
2.8067 20
2.9674 20
2.9196 22
2.6824 22
3.2045 23
3.0013 25
2.9821 30
2.9907 30
19 O 3.264 12
2.8395 11
2.9639 12
2.8578 13
3.1484 15
3.1509 16
2.6345 16
2.7197 21
2.8616 24
2.9059 24
3.0479 27
2.8305 27
2.9493 29
20 O 3.264 12
3.0047 12
2.9039 14
2.968 17
2.9674 18
2.8067 18
3.1418 21
3.247 22
2.9326 22
3.0803 25
2.8771 28
2.8578 30
2.7576 30
21 O 3.264 12
3.0227 12
2.9018 12
2.9052 15
2.9048 15
2.4579 16
2.9285 17
2.9459 17
2.7197 19
3.1418 20
3.0047 22
2.6658 27
2.8961 30
22 O 3.264 12
2.8109 12
2.4887 15
2.6824 18
2.9196 18
2.9326 20
3.247 20
3.0047 21
2.9942 23
3.1038 25
3.2272 28
2.7979 30
2.9704 30
23 O 3.264 10
3.1099 14
2.8437 14
3.2045 18
2.9942 22
2.9636 25
2.5957 25
3.0465 28
2.7246 28
3.2375 30
2.2934 25
24 O 3.264 12
2.7294 11
3.0109 12
2.7158 13
3.1074 15
3.2204 16
2.9813 16
3.0642 17
2.9059 19
2.8616 19
2.9855 26
2.9326 27
2.8865 27
25 O 3.264 10
2.7135 14
3.0475 14
3.0013 18
3.0803 20
3.1038 22
2.5957 23
2.9636 23
2.9523 28
3.0038 28
2.2934 23
26 O 3.264 9
2.8065 11
2.9783 11
3.1305 13
2.8303 13
2.9855 24
3.1328 27
2.7866 29
2.9385 29
2.1954 29
27 O 3.264 11
3.069 11
2.8714 12
2.7712 16
2.7804 16
2.6079 17
2.8305 19
3.0479 19
2.6658 21
2.8865 24
2.9326 24
3.1328 26
28 O 3.264 10
2.9139 14
2.9401 14
2.8771 20
3.2272 22
2.7246 23
3.0465 23
3.0038 25
2.9523 25
3.0674 30
2.3086 14
29 O 3.264 9
3.1338 11
2.7142 11
2.8756 13
2.9212 13
3.0321 16
2.9493 19
2.9385 26
2.7866 26
2.1954 26
30 O 3.264 12
3.0168 14
2.7995 15
2.9096 17
2.9907 18
2.9821 18
2.7576 20
2.8578 20
2.8961 21
2.9704 22
2.7979 22
3.2375 23
3.0674 28
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 0 0 2.132 4.263 0.021 1442.51 2 24.6 357.3
2 2 0 0 4.266 8.533 0.042 358.39 2 66.4 644.6
3 3 0 0 6.407 12.814 0.062 157.65 2 35.8 82.3
4 4 0 0 8.557 17.113 0.083 87.41 2 151.4 817.2
5 1 0 -1 8.934 17.867 0.087 80.0 2 68.8 154.6
6 2 0 -1 9.187 18.374 0.089 75.53 2 95.3 279.6
7 0 0 1 9.19 18.379 0.089 75.49 2 63.7 125.1
8 3 0 -1 9.913 19.826 0.096 64.57 2 77.7 159.2
9 1 0 1 9.917 19.834 0.096 64.51 2 61.7 100.2
10 1 1 0 10.415 20.83 0.101 58.29 4 26.9 34.4
11 5 0 0 10.719 21.437 0.104 54.92 2 79.2 140.3
12 4 0 -1 11.021 22.043 0.107 51.82 2 16.0 5.4
13 2 0 1 11.027 22.054 0.107 51.77 2 28.8 17.5
14 2 1 0 11.065 22.129 0.107 51.4 4 5.8 1.4
15 3 1 0 12.073 24.147 0.117 42.84 4 86.1 259.2
16 5 0 -1 12.416 24.832 0.12 40.39 2 12.9 2.7
17 3 0 1 12.423 24.845 0.12 40.35 2 33.3 18.3
18 6 0 0 12.896 25.792 0.125 37.29 2 188.6 540.8
19 4 1 0 13.365 26.731 0.129 34.58 4 3.9 0.4
20 1 1 -1 13.615 27.23 0.132 33.25 4 42.3 48.5
21 2 1 -1 13.786 27.573 0.133 32.38 4 173.8 797.3
22 0 1 1 13.788 27.576 0.133 32.37 4 120.1 380.6
23 6 0 -1 14.018 28.036 0.135 31.25 2 368.4 1729.8
24 4 0 1 14.026 28.051 0.135 31.22 2 364.7 1693.5
25 3 1 -1 14.291 28.582 0.138 29.99 4 19.5 9.3
26 1 1 1 14.294 28.588 0.138 29.98 4 68.2 113.6
27 5 1 0 14.873 29.747 0.143 27.54 4 6.9 1.1
28 7 0 0 15.092 30.185 0.146 26.69 2 32.2 11.3
29 4 1 -1 15.098 30.196 0.146 26.67 4 60.3 79.2
30 2 1 1 15.102 30.205 0.146 26.65 4 84.1 153.7
31 7 0 -1 15.773 31.545 0.152 24.28 2 27.4 7.4
32 5 0 1 15.781 31.562 0.152 24.25 2 24.1 5.7
33 5 1 -1 16.167 32.333 0.156 23.02 4 54.3 55.3
34 3 1 1 16.172 32.344 0.156 23.0 4 56.6 60.1
35 6 1 0 16.546 33.093 0.159 21.89 4 2.8 0.1
36 8 0 0 17.312 34.624 0.166 19.84 2 48.1 18.7
37 6 1 -1 17.455 34.909 0.168 19.49 4 579.6 5339.9
38 4 1 1 17.461 34.922 0.168 19.47 4 587.5 5481.5
39 8 0 -1 17.644 35.287 0.169 19.03 2 19.4 2.9
40 6 0 1 17.652 35.305 0.17 19.01 2 6.5 0.3
41 2 0 -2 18.094 36.188 0.174 18.01 2 322.0 761.6
42 3 0 -2 18.227 36.453 0.175 17.72 2 23.5 4.0
43 1 0 -2 18.229 36.458 0.175 17.72 2 81.6 48.1
44 7 1 0 18.348 36.696 0.176 17.47 4 86.8 107.3
45 4 0 -2 18.622 37.244 0.179 16.91 2 88.9 54.4
46 0 0 2 18.627 37.253 0.179 16.9 2 69.1 32.9
47 7 1 -1 18.924 37.849 0.181 16.32 4 71.1 67.4
48 5 1 1 18.931 37.863 0.181 16.3 4 37.4 18.6
49 5 0 -2 19.266 38.532 0.184 15.68 2 82.1 43.1
50 1 0 2 19.273 38.546 0.185 15.67 2 39.0 9.7
51 9 0 0 19.559 39.117 0.187 15.17 2 4.7 0.1
52 9 0 -1 19.608 39.216 0.188 15.08 2 53.7 17.7
53 7 0 1 19.617 39.234 0.188 15.07 2 70.6 30.6
54 6 0 -2 20.139 40.279 0.192 14.21 2 60.1 21.0
55 2 0 2 20.148 40.296 0.193 14.2 2 105.6 64.5
56 8 1 0 20.254 40.509 0.194 14.04 4 14.9 2.5
57 8 1 -1 20.545 41.091 0.196 13.6 4 94.3 98.5
58 6 1 1 20.553 41.106 0.196 13.58 4 55.7 34.4
59 0 2 0 20.721 41.442 0.198 13.34 2 534.9 1556.5
60 1 2 0 20.841 41.681 0.199 13.17 4 58.1 36.2
61 2 1 -2 20.942 41.885 0.2 13.03 4 427.4 1941.1
62 3 1 -2 21.06 42.119 0.201 12.86 4 95.0 94.7
63 1 1 -2 21.062 42.124 0.201 12.86 4 31.8 10.6
64 2 2 0 21.196 42.392 0.202 12.68 4 78.2 63.2
65 7 0 -2 21.218 42.436 0.202 12.65 2 19.4 1.9
66 3 0 2 21.229 42.457 0.202 12.64 2 17.4 1.6
67 4 1 -2 21.411 42.822 0.204 12.4 4 79.7 64.1
68 0 1 2 21.415 42.83 0.204 12.39 4 51.4 26.7
69 10 0 -1 21.651 43.303 0.206 12.09 2 31.6 4.9
70 8 0 1 21.661 43.322 0.206 12.08 2 60.3 17.9
71 3 2 0 21.777 43.555 0.207 11.93 4 43.8 18.7
72 10 0 0 21.837 43.674 0.208 11.86 2 440.7 939.2
73 5 1 -2 21.987 43.974 0.209 11.68 4 24.7 5.8
74 1 1 2 21.993 43.986 0.209 11.67 4 63.3 38.1
75 9 1 0 22.25 44.499 0.212 11.37 4 12.5 1.4
76 9 1 -1 22.294 44.588 0.212 11.32 4 71.6 47.3
77 7 1 1 22.302 44.604 0.212 11.31 4 19.3 3.4
78 8 0 -2 22.479 44.959 0.214 11.11 2 97.8 43.3
79 4 0 2 22.492 44.983 0.214 11.1 2 47.7 10.3
80 4 2 0 22.571 45.143 0.215 11.01 4 163.8 241.0
81 1 2 -1 22.731 45.461 0.216 10.83 4 69.0 42.0
82 6 1 -2 22.774 45.548 0.216 10.79 4 137.8 167.0
83 2 1 2 22.782 45.564 0.216 10.78 4 175.4 270.3
84 2 2 -1 22.841 45.682 0.217 10.72 4 71.6 44.8
85 0 2 1 22.842 45.684 0.217 10.72 4 43.0 16.2
86 3 2 -1 23.171 46.342 0.22 10.37 4 86.1 62.8
87 1 2 1 23.173 46.346 0.22 10.37 4 75.3 47.9
88 5 2 0 23.561 47.122 0.223 9.99 4 73.6 44.2
89 4 2 -1 23.714 47.427 0.225 9.84 4 1.9 0.0
90 2 2 1 23.717 47.433 0.225 9.84 4 31.0 7.7
91 7 1 -2 23.756 47.512 0.225 9.8 4 81.6 53.3
92 3 1 2 23.766 47.532 0.225 9.79 4 91.1 66.2
93 11 0 -1 23.766 47.532 0.225 9.79 2 55.5 12.3
94 9 0 1 23.776 47.552 0.225 9.79 2 58.9 13.8
95 9 0 -2 23.902 47.804 0.226 9.67 2 46.2 8.4
96 5 0 2 23.916 47.831 0.227 9.66 2 92.4 33.7
97 11 0 0 24.152 48.305 0.229 9.44 2 38.3 5.6
98 10 1 -1 24.153 48.306 0.229 9.44 4 74.0 42.2
99 8 1 1 24.162 48.324 0.229 9.43 4 114.1 100.2
100 10 1 0 24.324 48.648 0.23 9.29 4 0.8 0.0
101 5 2 -1 24.458 48.916 0.231 9.18 4 28.5 6.1
102 3 2 1 24.462 48.923 0.231 9.17 4 38.9 11.3
103 6 2 0 24.729 49.458 0.234 8.95 4 182.2 242.2
104 8 1 -2 24.916 49.833 0.236 8.8 4 197.4 279.6
105 4 1 2 24.928 49.855 0.236 8.79 4 136.1 132.7
106 6 2 -1 25.391 50.782 0.24 8.43 4 269.7 499.9
107 4 2 1 25.396 50.791 0.24 8.42 4 276.9 526.8
108 10 0 -2 25.468 50.936 0.24 8.37 2 62.9 13.5
109 6 0 2 25.483 50.966 0.241 8.36 2 92.6 29.2
110 12 0 -1 25.948 51.897 0.245 8.02 2 101.7 33.8
111 10 0 1 25.959 51.917 0.245 8.01 2 74.0 17.9
112 7 2 0 26.059 52.119 0.246 7.94 4 54.4 19.2
113 11 1 -1 26.112 52.224 0.246 7.91 4 45.0 13.0
114 9 1 1 26.121 52.242 0.246 7.9 4 58.4 22.0
115 9 1 -2 26.239 52.477 0.247 7.82 4 42.4 11.5
116 5 1 2 26.251 52.503 0.247 7.81 4 40.9 10.6
117 11 1 0 26.473 52.946 0.249 7.66 4 30.5 5.8
118 7 2 -1 26.499 52.998 0.249 7.65 4 40.4 10.2
119 5 2 1 26.504 53.008 0.249 7.64 4 49.6 15.3
120 12 0 0 26.51 53.021 0.25 7.64 2 80.5 20.2
121 11 0 -2 27.163 54.326 0.255 7.23 2 79.7 18.7
122 7 0 2 27.179 54.358 0.255 7.22 2 28.8 2.4
123 8 2 0 27.537 55.074 0.258 7.01 4 64.8 24.0
124 10 1 -2 27.709 55.418 0.26 6.91 4 27.4 4.2
125 6 1 2 27.723 55.446 0.26 6.9 4 70.1 27.6
126 3 0 -3 27.766 55.532 0.26 6.88 2 57.0 9.1
127 8 2 -1 27.768 55.536 0.26 6.87 4 17.4 1.7
128 6 2 1 27.774 55.548 0.26 6.87 4 10.4 0.6
129 4 0 -3 27.861 55.722 0.261 6.82 2 192.4 103.0
130 2 0 -3 27.864 55.727 0.261 6.82 2 48.3 6.5
131 2 2 -2 28.086 56.172 0.263 6.7 4 311.4 529.9
132 5 0 -3 28.146 56.293 0.264 6.67 2 7.3 0.1
133 1 0 -3 28.152 56.303 0.264 6.66 2 23.5 1.5
134 12 1 -1 28.162 56.325 0.264 6.66 4 164.1 146.2
135 10 1 1 28.172 56.344 0.264 6.65 4 121.1 79.6
136 3 2 -2 28.18 56.361 0.264 6.65 4 36.4 7.2
137 1 2 -2 28.182 56.364 0.264 6.65 4 80.8 35.4
138 13 0 -1 28.198 56.396 0.264 6.64 2 85.9 20.0
139 11 0 1 28.209 56.417 0.264 6.63 2 70.6 13.5
140 4 2 -2 28.464 56.928 0.266 6.5 4 85.1 38.4
141 0 2 2 28.468 56.935 0.266 6.5 4 53.7 15.3
142 6 0 -3 28.619 57.238 0.268 6.42 2 10.4 0.3
143 0 0 3 28.627 57.254 0.268 6.42 2 118.1 36.5
144 12 1 0 28.695 57.389 0.268 6.38 4 11.8 0.7
145 13 0 0 28.918 57.836 0.27 6.27 2 43.9 4.9
146 5 2 -2 28.934 57.868 0.27 6.26 4 75.9 29.5
147 1 2 2 28.939 57.878 0.27 6.26 4 60.5 18.7
148 12 0 -2 28.976 57.953 0.271 6.24 2 308.3 242.0
149 8 0 2 28.993 57.987 0.271 6.23 2 324.6 267.8
150 9 2 0 29.15 58.3 0.272 6.16 4 57.0 16.3
151 9 2 -1 29.186 58.373 0.273 6.14 4 62.2 19.4
152 7 2 1 29.193 58.386 0.273 6.14 4 73.9 27.4
153 7 0 -3 29.273 58.546 0.273 6.1 2 90.2 20.3
154 1 0 3 29.283 58.566 0.273 6.1 2 101.4 25.6
155 11 1 -2 29.315 58.629 0.274 6.08 4 30.1 4.5
156 7 1 2 29.33 58.66 0.274 6.07 4 73.3 26.6
157 6 2 -2 29.584 59.167 0.276 5.96 4 51.0 12.6
158 2 2 2 29.59 59.181 0.276 5.95 4 78.9 30.3
159 3 1 -3 29.889 59.778 0.279 5.82 4 73.6 25.7
160 4 1 -3 29.98 59.959 0.279 5.78 4 11.4 0.6
161 2 1 -3 29.982 59.964 0.279 5.78 4 24.5 2.8
162 8 0 -3 30.101 60.202 0.28 5.73 2 524.8 643.7
163 2 0 3 30.113 60.227 0.28 5.73 2 534.7 667.5
164 5 1 -3 30.252 60.505 0.282 5.67 4 56.9 15.0
165 1 1 -3 30.257 60.515 0.282 5.66 4 86.1 34.2
166 13 1 -1 30.302 60.603 0.282 5.65 4 42.8 8.4
167 11 1 1 30.312 60.623 0.282 5.64 4 77.5 27.7
168 7 2 -2 30.407 60.814 0.283 5.6 4 19.9 1.8
169 3 2 2 30.415 60.83 0.283 5.6 4 14.0 0.9
170 14 0 -1 30.517 61.035 0.284 5.56 2 0.0 0.0
171 12 0 1 30.528 61.056 0.284 5.55 2 28.1 1.8
172 6 1 -3 30.705 61.409 0.285 5.48 4 72.5 23.5
173 0 1 3 30.712 61.424 0.285 5.48 4 57.7 14.9
174 10 2 -1 30.743 61.487 0.286 5.47 4 48.4 10.4
175 8 2 1 30.751 61.502 0.286 5.46 4 78.9 27.7
176 10 2 0 30.889 61.777 0.287 5.41 4 617.1 1680.6
177 13 0 -2 30.901 61.801 0.287 5.41 2 37.0 3.0
178 9 0 2 30.919 61.837 0.287 5.4 2 61.8 8.4
179 13 1 0 30.991 61.982 0.288 5.37 4 64.2 18.1
180 12 1 -2 31.047 62.094 0.288 5.35 4 512.5 1145.9
181 8 1 2 31.063 62.127 0.288 5.34 4 522.8 1190.9
182 9 0 -3 31.095 62.19 0.289 5.33 2 113.7 28.1
183 3 0 3 31.109 62.219 0.289 5.33 2 48.2 5.0
184 7 1 -3 31.332 62.663 0.291 5.24 4 61.5 16.2
185 1 1 3 31.341 62.683 0.291 5.24 4 35.6 5.4
186 14 0 0 31.383 62.766 0.291 5.22 2 72.7 11.3
187 8 2 -2 31.396 62.791 0.291 5.22 4 106.7 48.4
188 4 2 2 31.405 62.81 0.291 5.22 4 68.7 20.1
189 8 1 -3 32.128 64.256 0.297 4.96 4 44.1 7.9
190 2 1 3 32.14 64.28 0.297 4.96 4 41.0 6.8
191 1 3 0 32.143 64.286 0.297 4.96 4 15.5 1.0
192 10 0 -3 32.247 64.494 0.298 4.92 2 114.9 26.5
193 4 0 3 32.264 64.527 0.298 4.92 2 18.8 0.7
194 2 3 0 32.406 64.813 0.3 4.87 4 7.0 0.2
195 11 2 -1 32.431 64.862 0.3 4.86 4 50.7 10.2
196 9 2 1 32.439 64.878 0.3 4.86 4 57.6 13.2
197 14 1 -1 32.53 65.059 0.301 4.83 4 50.8 10.2
198 12 1 1 32.54 65.08 0.301 4.83 4 63.3 15.8
199 9 2 -2 32.542 65.084 0.301 4.83 4 64.0 16.1
200 5 2 2 32.553 65.106 0.301 4.82 4 89.9 31.8
201 11 2 0 32.747 65.494 0.302 4.76 4 63.1 15.5
202 3 3 0 32.843 65.686 0.303 4.73 4 82.7 26.4
203 13 1 -2 32.9 65.799 0.304 4.72 4 96.4 35.8
204 15 0 -1 32.911 65.822 0.304 4.71 2 25.6 1.3
205 9 1 2 32.917 65.834 0.304 4.71 4 27.5 2.9
206 13 0 1 32.922 65.844 0.304 4.71 2 19.0 0.7
207 14 0 -2 32.932 65.864 0.304 4.71 2 87.0 14.5
208 10 0 2 32.951 65.902 0.304 4.7 2 45.2 3.9
209 9 1 -3 33.087 66.174 0.305 4.66 4 44.4 7.5
210 3 1 3 33.101 66.203 0.305 4.65 4 78.3 23.3
211 14 1 0 33.366 66.732 0.307 4.58 4 5.8 0.1
212 4 3 0 33.449 66.898 0.308 4.55 4 3.3 0.0
213 11 0 -3 33.549 67.099 0.309 4.52 2 9.7 0.2
214 5 0 3 33.568 67.136 0.309 4.52 2 19.7 0.7
215 1 3 -1 33.572 67.144 0.309 4.52 4 53.8 10.7
216 2 3 -1 33.658 67.315 0.31 4.49 4 132.4 64.2
217 0 3 1 33.658 67.317 0.31 4.49 4 94.8 33.0
218 10 2 -2 33.839 67.678 0.311 4.44 4 62.4 14.1
219 6 2 2 33.852 67.703 0.311 4.44 4 66.2 15.8
220 15 0 0 33.914 67.829 0.312 4.42 2 61.6 6.9
221 3 3 -1 33.914 67.829 0.312 4.42 4 64.5 15.0
222 1 3 1 33.916 67.832 0.312 4.42 4 77.7 21.7
223 10 1 -3 34.203 68.407 0.314 4.34 4 49.3 8.6
224 4 1 3 34.22 68.439 0.314 4.34 4 63.4 14.2
225 5 3 0 34.22 68.44 0.314 4.34 4 3.4 0.0
226 12 2 -1 34.244 68.488 0.315 4.33 4 94.7 31.7
227 10 2 1 34.252 68.505 0.315 4.33 4 76.6 20.7
228 4 3 -1 34.341 68.682 0.315 4.31 4 33.7 4.0
229 2 3 1 34.343 68.686 0.315 4.31 4 71.9 18.2
230 12 2 0 34.721 69.443 0.318 4.21 4 65.2 14.6
231 15 1 -1 34.849 69.697 0.319 4.18 4 49.0 8.2
232 13 1 1 34.859 69.719 0.32 4.18 4 26.2 2.3
233 14 1 -2 34.869 69.738 0.32 4.18 4 80.4 22.0
234 10 1 2 34.887 69.775 0.32 4.17 4 41.7 5.9
235 5 3 -1 34.934 69.867 0.32 4.16 4 82.9 23.3
236 3 3 1 34.937 69.874 0.32 4.16 4 67.5 15.5
237 12 0 -3 34.996 69.993 0.321 4.15 2 43.4 3.2
238 6 0 3 35.017 70.034 0.321 4.14 2 179.2 54.2
239 15 0 -2 35.069 70.138 0.321 4.13 2 57.5 5.6
240 11 0 2 35.089 70.178 0.321 4.12 2 17.0 0.5
241 6 3 0 35.152 70.304 0.322 4.11 4 5.8 0.1
242 11 2 -2 35.281 70.562 0.323 4.08 4 67.9 15.3
243 7 2 2 35.295 70.589 0.323 4.08 4 30.4 3.1
244 16 0 -1 35.386 70.771 0.324 4.05 2 205.6 69.9
245 14 0 1 35.397 70.794 0.324 4.05 2 213.7 75.5
246 11 1 -3 35.47 70.941 0.324 4.04 4 61.7 12.5
247 5 1 3 35.489 70.977 0.325 4.03 4 41.2 5.6
248 6 3 -1 35.69 71.379 0.326 3.99 4 440.1 629.9
249 4 3 1 35.693 71.387 0.326 3.99 4 448.7 654.4
250 3 2 -3 35.803 71.605 0.327 3.96 4 67.6 14.8
251 15 1 0 35.826 71.652 0.327 3.96 4 5.9 0.1
252 4 2 -3 35.885 71.77 0.328 3.94 4 184.9 110.0
253 2 2 -3 35.887 71.775 0.328 3.94 4 63.2 12.8
254 5 2 -3 36.134 72.268 0.33 3.89 4 39.4 4.9
255 1 2 -3 36.138 72.277 0.33 3.89 4 29.8 2.8
256 13 2 -1 36.179 72.358 0.33 3.88 4 76.1 18.3
257 11 2 1 36.188 72.376 0.33 3.88 4 63.1 12.6
258 7 3 0 36.24 72.479 0.33 3.87 4 91.5 26.4
259 16 0 0 36.523 73.046 0.333 3.81 2 161.5 40.6
260 6 2 -3 36.548 73.096 0.333 3.81 4 25.4 2.0
261 0 2 3 36.555 73.11 0.333 3.81 4 96.9 29.2
262 13 0 -3 36.583 73.166 0.333 3.8 2 47.3 3.5
263 7 3 -1 36.605 73.209 0.333 3.8 4 69.0 14.7
264 7 0 3 36.606 73.211 0.333 3.8 2 77.4 9.3
265 5 3 1 36.609 73.218 0.333 3.79 4 54.2 9.1
266 13 2 0 36.811 73.623 0.335 3.76 4 54.8 9.2
267 12 2 -2 36.863 73.726 0.335 3.75 4 249.2 189.7
268 8 2 2 36.878 73.756 0.335 3.74 4 254.1 197.1
269 12 1 -3 36.884 73.767 0.336 3.74 4 40.0 4.9
270 6 1 3 36.904 73.808 0.336 3.74 4 15.6 0.7
271 15 1 -2 36.955 73.909 0.336 3.73 4 21.5 1.4
272 11 1 2 36.974 73.948 0.336 3.72 4 42.8 5.6
273 7 2 -3 37.125 74.25 0.337 3.7 4 70.5 15.0
274 1 2 3 37.134 74.268 0.337 3.69 4 110.2 36.6
275 16 1 -1 37.265 74.529 0.338 3.67 4 439.8 579.0
276 14 1 1 37.276 74.552 0.339 3.67 4 450.9 608.5
277 16 0 -2 37.315 74.629 0.339 3.66 2 37.9 2.1
278 12 0 2 37.336 74.671 0.339 3.66 2 71.3 7.6
279 8 3 0 37.478 74.957 0.34 3.63 4 17.9 0.9
280 8 3 -1 37.675 75.35 0.342 3.6 4 67.4 13.3
281 6 3 1 37.68 75.36 0.342 3.6 4 43.1 5.5
282 8 2 -3 37.863 75.725 0.343 3.57 4 450.6 590.7
283 2 2 3 37.874 75.748 0.343 3.56 4 457.0 607.2
284 2 3 -2 37.947 75.893 0.344 3.55 4 505.1 739.2
285 17 0 -1 37.951 75.903 0.344 3.55 2 29.5 1.3
286 15 0 1 37.963 75.927 0.344 3.55 2 66.2 6.4
287 3 3 -2 38.028 76.055 0.344 3.54 4 94.9 26.0
288 1 3 -2 38.029 76.058 0.344 3.54 4 62.0 11.1
289 14 2 -1 38.237 76.473 0.346 3.51 4 14.0 0.6
290 12 2 1 38.246 76.493 0.346 3.5 4 16.8 0.8
291 4 3 -2 38.272 76.543 0.346 3.5 4 56.0 8.9
292 0 3 2 38.275 76.549 0.346 3.5 4 16.3 0.8
293 14 0 -3 38.307 76.613 0.347 3.49 2 210.4 63.1
294 8 0 3 38.331 76.662 0.347 3.49 2 91.1 11.8
295 16 1 0 38.381 76.762 0.347 3.48 4 6.1 0.1
296 4 0 -4 38.4 76.801 0.347 3.48 2 284.0 114.4
297 13 1 -3 38.44 76.879 0.348 3.47 4 73.7 15.4
298 7 1 3 38.462 76.924 0.348 3.47 4 74.8 15.8
299 5 0 -4 38.48 76.961 0.348 3.47 2 99.4 14.0
300 3 0 -4 38.483 76.967 0.348 3.47 2 32.5 1.5
301 13 2 -2 38.582 77.165 0.349 3.45 4 40.7 4.7
302 9 2 2 38.599 77.197 0.349 3.45 4 66.7 12.5
303 5 3 -2 38.678 77.355 0.349 3.44 4 60.9 10.4
304 1 3 2 38.682 77.364 0.349 3.44 4 47.2 6.2
305 6 0 -4 38.723 77.445 0.35 3.43 2 23.2 0.8
306 2 0 -4 38.729 77.457 0.35 3.43 2 88.5 11.0
307 9 2 -3 38.758 77.516 0.35 3.42 4 120.6 40.7
308 3 2 3 38.771 77.543 0.35 3.42 4 81.5 18.5
309 9 3 0 38.865 77.731 0.351 3.41 4 25.7 1.8
310 9 3 -1 38.897 77.795 0.351 3.4 4 65.3 11.8
311 7 3 1 38.903 77.806 0.351 3.4 4 52.1 7.5
312 14 2 0 39.019 78.039 0.352 3.39 4 119.3 39.3
313 7 0 -4 39.127 78.253 0.353 3.37 2 56.7 4.4
314 1 0 -4 39.136 78.271 0.353 3.37 2 8.5 0.1
315 16 1 -2 39.159 78.319 0.353 3.37 4 65.2 11.7
316 12 1 2 39.18 78.36 0.353 3.36 4 129.6 46.1
317 17 0 0 39.223 78.447 0.353 3.36 2 30.3 1.3
318 6 3 -2 39.244 78.489 0.354 3.35 4 61.6 10.4
319 2 3 2 39.25 78.501 0.354 3.35 4 143.7 56.5
320 17 0 -2 39.674 79.348 0.357 3.3 2 19.3 0.5
321 8 0 -4 39.691 79.382 0.357 3.29 2 11.6 0.2
322 13 0 2 39.696 79.392 0.357 3.29 2 1.0 0.0
323 0 0 4 39.703 79.405 0.357 3.29 2 103.8 14.5
324 17 1 -1 39.787 79.573 0.358 3.28 4 60.9 9.9
325 15 1 1 39.798 79.597 0.358 3.28 4 25.9 1.8
326 10 2 -3 39.808 79.617 0.358 3.28 4 113.0 34.1
327 4 2 3 39.824 79.647 0.358 3.28 4 16.2 0.7
328 7 3 -2 39.97 79.94 0.359 3.26 4 76.1 15.4
329 3 3 2 39.977 79.955 0.359 3.26 4 87.7 20.4
330 14 1 -3 40.137 80.274 0.36 3.24 4 14.1 0.5
331 8 1 3 40.161 80.323 0.361 3.23 4 24.2 1.5
332 15 0 -3 40.167 80.333 0.361 3.23 2 2.2 0.0
333 9 0 3 40.193 80.386 0.361 3.23 2 1.9 0.0
334 4 1 -4 40.23 80.46 0.361 3.23 4 399.2 419.4
335 10 3 -1 40.269 80.538 0.361 3.22 4 80.4 17.0
336 8 3 1 40.276 80.551 0.361 3.22 4 115.9 35.3
337 5 1 -4 40.309 80.617 0.362 3.22 4 88.5 20.6
338 3 1 -4 40.312 80.623 0.362 3.22 4 108.5 30.9
339 10 3 0 40.399 80.797 0.362 3.21 4 2.8 0.0
340 9 0 -4 40.414 80.827 0.362 3.2 2 93.0 11.3
341 15 2 -1 40.42 80.84 0.362 3.2 4 21.7 1.2
342 1 0 4 40.428 80.857 0.363 3.2 2 114.4 17.1
343 13 2 1 40.43 80.86 0.363 3.2 4 25.4 1.7
344 14 2 -2 40.439 80.878 0.363 3.2 4 83.0 18.0
345 10 2 2 40.457 80.913 0.363 3.2 4 47.6 5.9
346 6 1 -4 40.548 81.096 0.363 3.19 4 137.5 49.1
347 2 1 -4 40.554 81.108 0.363 3.19 4 48.5 6.1
348 18 0 -1 40.621 81.242 0.364 3.18 2 31.9 1.3
349 16 0 1 40.633 81.267 0.364 3.18 2 24.4 0.8
350 8 3 -2 40.853 81.705 0.366 3.15 4 159.2 65.2
351 4 3 2 40.861 81.723 0.366 3.15 4 81.8 17.2
352 7 1 -4 40.947 81.895 0.366 3.14 4 27.2 1.9
353 1 1 -4 40.956 81.912 0.366 3.14 4 24.3 1.5
354 11 2 -3 41.012 82.024 0.367 3.14 4 29.1 2.2
355 5 2 3 41.029 82.059 0.367 3.13 4 28.5 2.1
356 17 1 0 41.043 82.086 0.367 3.13 4 86.1 19.0
357 10 0 -4 41.293 82.587 0.369 3.11 2 105.1 14.0
358 2 0 4 41.311 82.622 0.369 3.11 2 7.4 0.1
359 15 2 0 41.352 82.704 0.369 3.1 4 67.5 11.5
360 17 1 -2 41.489 82.978 0.37 3.09 4 71.8 13.0
361 8 1 -4 41.506 83.012 0.37 3.09 4 39.4 3.9
362 13 1 2 41.511 83.022 0.37 3.09 4 93.2 21.9
363 0 1 4 41.517 83.035 0.371 3.08 4 152.8 58.7
364 11 3 -1 41.79 83.579 0.373 3.06 4 41.8 4.4
365 9 3 1 41.797 83.594 0.373 3.06 4 49.2 6.0
366 9 3 -2 41.891 83.782 0.373 3.05 4 54.9 7.5
367 5 3 2 41.901 83.802 0.373 3.05 4 45.9 5.2
368 15 1 -3 41.977 83.954 0.374 3.04 4 43.0 4.6
369 9 1 3 42.003 84.007 0.374 3.04 4 81.7 16.6
370 18 0 0 42.032 84.063 0.374 3.04 2 66.3 5.4
371 11 3 0 42.078 84.156 0.375 3.03 4 25.8 1.7
372 18 0 -2 42.157 84.314 0.375 3.02 2 103.9 13.3
373 16 0 -3 42.166 84.331 0.375 3.02 2 39.9 2.0
374 14 0 2 42.18 84.36 0.375 3.02 2 74.9 6.9
375 10 0 3 42.194 84.388 0.375 3.02 2 86.7 9.3
376 9 1 -4 42.222 84.444 0.376 3.02 4 4.4 0.0
377 1 1 4 42.237 84.473 0.376 3.02 4 15.3 0.6
378 11 0 -4 42.329 84.658 0.376 3.01 2 27.7 0.9
379 3 0 4 42.349 84.699 0.377 3.01 2 72.8 6.5
380 12 2 -3 42.368 84.735 0.377 3.01 4 36.0 3.2
381 6 2 3 42.387 84.774 0.377 3.0 4 160.0 62.7
382 18 1 -1 42.428 84.855 0.377 3.0 4 78.5 15.1
383 15 2 -2 42.436 84.872 0.377 3.0 4 67.6 11.2
384 16 1 1 42.44 84.88 0.377 3.0 4 43.2 4.6
385 11 2 2 42.455 84.91 0.377 3.0 4 38.9 3.7
386 16 2 -1 42.736 85.471 0.379 2.97 4 236.3 135.4
387 14 2 1 42.746 85.493 0.379 2.97 4 235.2 134.2
388 10 3 -2 43.084 86.168 0.382 2.95 4 4.0 0.0
389 6 3 2 43.096 86.191 0.382 2.95 4 36.7 3.2
390 10 1 -4 43.096 86.191 0.382 2.95 4 170.9 70.2
391 2 1 4 43.113 86.226 0.382 2.95 4 63.4 9.6
392 19 0 -1 43.411 86.823 0.384 2.92 2 23.2 0.6
393 17 0 1 43.424 86.849 0.384 2.92 2 68.1 5.5
394 12 3 -1 43.46 86.92 0.385 2.92 4 149.5 53.2
395 10 3 1 43.468 86.936 0.385 2.92 4 122.1 35.5
396 12 0 -4 43.52 87.04 0.385 2.92 2 57.9 4.0
397 4 0 4 43.543 87.086 0.385 2.91 2 13.1 0.2
398 16 2 0 43.819 87.638 0.387 2.9 4 179.5 76.1
399 18 1 0 43.83 87.66 0.387 2.9 4 7.7 0.1
400 13 2 -3 43.876 87.752 0.387 2.89 4 47.9 5.4
401 7 2 3 43.898 87.796 0.388 2.89 4 65.9 10.3
402 12 3 0 43.906 87.812 0.388 2.89 4 12.7 0.4
403 18 1 -2 43.954 87.909 0.388 2.89 4 176.5 73.4
404 16 1 -3 43.963 87.927 0.388 2.89 4 77.1 14.0
405 14 1 2 43.978 87.955 0.388 2.89 4 113.3 30.2
406 10 1 3 43.991 87.983 0.388 2.88 4 45.5 4.9
407 11 1 -4 44.126 88.252 0.389 2.88 4 30.7 2.2
408 3 1 4 44.146 88.292 0.389 2.88 4 39.0 3.6
409 17 0 -3 44.31 88.619 0.39 2.87 2 71.1 5.9
410 11 0 3 44.34 88.68 0.391 2.86 2 94.7 10.5
411 11 3 -2 44.432 88.865 0.391 2.86 4 47.2 5.2
412 7 3 2 44.445 88.891 0.391 2.86 4 79.1 14.6
413 16 2 -2 44.579 89.158 0.392 2.85 4 40.4 3.8
414 12 2 2 44.599 89.199 0.392 2.85 4 68.1 10.8
415 19 0 -2 44.777 89.554 0.394 2.84 2 50.6 3.0
416 15 0 2 44.801 89.603 0.394 2.84 2 90.1 9.4
417 13 0 -4 44.867 89.734 0.394 2.84 2 6.2 0.0
418 5 0 4 44.893 89.786 0.395 2.83 2 115.5 15.4
419 3 3 -3 44.926 89.852 0.395 2.83 4 65.9 10.0
420 19 0 0 44.97 89.94 0.395 2.83 2 13.7 0.2
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 0 0 2.132 4.263 24.04671 357.3 3.3 3.4 5.5
2 2 0 0 4.266 8.533 12.02335 644.6 6.0 6.1 5.6
3 4 0 0 8.557 17.113 6.01168 817.2 7.6 7.7 5.6
4 1 0 -1 8.934 17.867 5.76 154.6 1.4 1.4 5.6
5 2 0 -1 9.187 18.374 5.60223 404.7 3.7 3.8 5.6
6 3 0 -1 9.913 19.826 5.19576 259.3 2.4 2.4 5.6
7 5 0 0 10.719 21.437 4.80934 140.3 1.3 1.3 5.6
8 3 1 0 12.073 24.147 4.27635 259.2 2.4 2.4 5.6
9 6 0 0 12.896 25.792 4.00778 540.8 5.0 5.0 5.6
10 2 1 -1 13.786 27.573 3.75343 1177.9 10.9 11.0 5.6
11 6 0 -1 14.018 28.036 3.69268 3423.3 31.6 31.8 5.6
12 1 1 1 14.294 28.588 3.62279 123.0 1.1 1.1 5.6
13 2 1 1 15.102 30.205 3.43305 244.2 2.3 2.3 5.6
14 3 1 1 16.172 32.344 3.21145 115.4 1.1 1.1 5.6
15 4 1 1 17.461 34.922 2.98098 10821.5 100.0 100.0 5.7
16 2 0 -2 18.094 36.188 2.88 761.6 7.0 7.0 5.7
17 8 1 -1 20.545 41.091 2.5487 132.9 1.2 1.2 5.7
18 0 2 0 20.721 41.442 2.528 1556.5 14.4 14.3 5.7
19 2 1 -2 20.942 41.885 2.50249 1941.1 17.9 17.8 5.7
20 10 0 0 21.837 43.674 2.40467 939.2 8.7 8.6 5.7
21 4 2 0 22.571 45.143 2.33034 241.0 2.2 2.2 5.7
22 2 1 2 22.782 45.564 2.30992 437.3 4.0 4.0 5.7
23 3 2 -1 23.171 46.342 2.27321 110.7 1.0 1.0 5.7
24 3 1 2 23.766 47.532 2.21951 145.7 1.3 1.3 5.7
25 8 1 1 24.162 48.324 2.18525 148.0 1.4 1.3 5.7
26 6 2 0 24.729 49.458 2.13817 242.2 2.2 2.2 5.7
27 8 1 -2 24.916 49.833 2.12312 412.3 3.8 3.8 5.7
28 4 2 1 25.396 50.791 2.08564 1026.7 9.5 9.3 5.8
29 4 0 -3 27.861 55.722 1.91399 109.5 1.0 1.0 5.8
30 2 2 -2 28.086 56.172 1.8999 529.9 4.9 4.8 5.8
31 3 2 -2 28.18 56.361 1.89405 303.3 2.8 2.7 5.8
32 8 0 2 28.993 57.987 1.84535 509.8 4.7 4.6 5.8
33 2 0 3 30.113 60.227 1.78282 1311.2 12.1 11.8 5.8
34 10 2 0 30.889 61.777 1.74233 1683.6 15.6 15.1 5.8
35 8 1 2 31.063 62.127 1.7335 2336.8 21.6 20.9 5.8
36 14 0 1 35.397 70.794 1.5442 145.4 1.3 1.3 5.9
37 4 3 1 35.693 71.387 1.53306 1284.3 11.9 11.3 5.9
38 4 2 -3 35.885 71.77 1.52596 122.8 1.1 1.1 5.9
39 8 2 2 36.878 73.756 1.49049 391.6 3.6 3.4 6.0
40 14 1 1 37.276 74.552 1.47685 1187.5 11.0 10.4 6.0
41 2 2 3 37.874 75.748 1.45695 1197.9 11.1 10.5 6.0
42 2 3 -2 37.947 75.893 1.45458 746.8 6.9 6.5 6.0
43 4 0 -4 38.4 76.801 1.44 114.4 1.1 1.0 6.0
44 4 1 -4 40.23 80.46 1.38492 419.4 3.9 3.6 6.0
45 16 2 -1 42.736 85.471 1.31807 269.6 2.5 2.3 6.1
46 18 1 -2 43.954 87.909 1.28869 117.6 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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