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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EUCRYPTITE
10, alpha, t-phenakite
LiAlSiO(4)
Hexagonal R 3 Z = 18
R =0.0259 NR =3956
4 .12 .1901
Ref.Str.:
P. Daniels, A. Fyfe (2001)
* Amer. Mineral., 86, 279-283
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.532 alpha = 90.0
b = 13.532 beta = 90.0
c = 9.044 gamma = 120.0
Unit cell volume (cub. angs.) = 1434.22
Molar volume ( cub.cm/mol.) = 47.99
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9828 0.1889 0.2514 0.0 Li = 1.00
2 0.0208 0.8117 0.7535 0.0 Li = 1.00
3 0.53 0.8798 0.7498 0.0 Si = 1.00
4 0.4697 0.1184 0.2509 0.0 Al = 1.00
5 0.8756 0.3442 0.9163 0.0 Si = 1.00
6 0.1249 0.6553 0.0842 0.0 Al = 1.00
7 0.2471 0.7901 0.1096 0.0 O = 1.00
8 0.7655 0.2162 0.8984 0.0 O = 1.00
9 0.2672 0.8009 0.4067 0.0 O = 1.00
10 0.7325 0.1993 0.5764 0.0 O = 1.00
11 0.8955 0.112 0.0631 0.0 O = 1.00
12 0.0963 0.8806 0.9463 0.0 O = 1.00
13 0.3357 0.9914 0.251 0.0 O = 1.00
14 0.6546 0.9963 0.7498 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9828 0.1889 0.2514
2 2 0.0208 0.8117 0.7535
3 3 0.53 0.8798 0.7498
4 4 0.4697 0.1184 0.2509
5 5 0.8756 0.3442 0.9163
6 6 0.1249 0.6553 0.0842
7 7 0.2471 0.7901 0.1096
8 8 0.7655 0.2162 0.8984
9 9 0.2672 0.8009 0.4067
10 10 0.7325 0.1993 0.5764
11 11 0.8955 0.112 0.0631
12 12 0.0963 0.8806 0.9463
13 13 0.3357 0.9914 0.251
14 14 0.6546 0.9963 0.7498
15 1 0.8111 0.7939 0.2514
16 1 0.2061 0.0172 0.2514
17 2 0.1883 0.2091 0.7535
18 2 0.7909 0.9792 0.7535
19 3 0.1202 0.6502 0.7498
20 3 0.3498 0.47 0.7498
21 4 0.8816 0.3513 0.2509
22 4 0.6487 0.5303 0.2509
23 5 0.6558 0.5314 0.9163
24 5 0.4686 0.1244 0.9163
25 6 0.3448 0.4697 0.0842
26 6 0.5303 0.8751 0.0842
27 7 0.2099 0.457 0.1096
28 7 0.543 0.7529 0.1096
29 8 0.7838 0.5494 0.8984
30 8 0.4506 0.2345 0.8984
31 9 0.1991 0.4663 0.4067
32 9 0.5337 0.7328 0.4067
33 10 0.8007 0.5332 0.5764
34 10 0.4668 0.2675 0.5764
35 11 0.888 0.7835 0.0631
36 11 0.2165 0.1045 0.0631
37 12 0.1194 0.2157 0.9463
38 12 0.7843 0.9037 0.9463
39 13 0.0086 0.3443 0.251
40 13 0.6557 0.6643 0.251
41 14 0.0037 0.6583 0.7498
42 14 0.3417 0.3454 0.7498
43 1 0.4778 0.1272 0.5847
44 1 0.5394 0.6839 0.9181
45 2 0.855 0.5424 0.0868
46 2 0.1242 0.6459 0.4202
47 3 0.7869 0.9836 0.0831
48 3 0.6831 0.1366 0.4164
49 4 0.5483 0.6846 0.5842
50 4 0.9821 0.197 0.9175
51 5 0.3225 0.8647 0.2496
52 5 0.8019 0.7911 0.5829
53 6 0.0114 0.803 0.4175
54 6 0.8637 0.5417 0.7509
55 7 0.8766 0.7904 0.4429
56 7 0.8763 0.4195 0.7763
57 8 0.4505 0.8827 0.2317
58 8 0.7839 0.9011 0.5651
59 9 0.8658 0.7996 0.74
60 9 0.867 0.3995 0.0734
61 10 0.4674 0.8665 0.9098
62 10 0.8002 0.9342 0.2431
63 11 0.5546 0.1168 0.3964
64 11 0.5498 0.7711 0.7297
65 12 0.7861 0.5491 0.2796
66 12 0.1176 0.5703 0.613
67 13 0.6753 0.6777 0.5843
68 13 0.989 0.3309 0.9177
69 14 0.6704 0.9916 0.0832
70 14 0.675 0.0121 0.4165
71 1 0.8728 0.3505 0.5847
72 1 0.3161 0.8556 0.9181
73 1 0.6495 0.5222 0.5847
74 1 0.1444 0.4605 0.9181
75 2 0.4576 0.3125 0.0868
76 2 0.3541 0.4784 0.4202
77 2 0.6875 0.145 0.0868
78 2 0.5216 0.8758 0.4202
79 3 0.0164 0.8033 0.0831
80 3 0.8633 0.5464 0.4164
81 3 0.1967 0.2131 0.0831
82 3 0.4535 0.3169 0.4164
83 4 0.3154 0.8637 0.5842
84 4 0.803 0.7851 0.9175
85 4 0.1363 0.4517 0.5842
86 4 0.2149 0.0179 0.9175
87 5 0.1353 0.4578 0.2496
88 5 0.2089 0.0108 0.5829
89 5 0.5422 0.6775 0.2496
90 5 0.9892 0.1981 0.5829
91 6 0.197 0.2084 0.4175
92 6 0.4582 0.3219 0.7509
93 6 0.7916 0.9886 0.4175
94 6 0.6781 0.1363 0.7509
95 7 0.2096 0.0862 0.4429
96 7 0.5804 0.4567 0.7763
97 7 0.9138 0.1234 0.4429
98 7 0.5432 0.1237 0.7763
99 8 0.1173 0.5678 0.2317
100 8 0.0989 0.8828 0.5651
101 8 0.4322 0.5495 0.2317
102 8 0.1172 0.216 0.5651
103 9 0.2003 0.0661 0.74
104 9 0.6005 0.4675 0.0734
105 9 0.9339 0.1342 0.74
106 9 0.5324 0.133 0.0734
107 10 0.1335 0.6009 0.9098
108 10 0.0658 0.8659 0.2431
109 10 0.3991 0.5326 0.9098
110 10 0.134 0.1998 0.2431
111 11 0.8832 0.4378 0.3964
112 11 0.2288 0.7787 0.7297
113 11 0.5622 0.4454 0.3964
114 11 0.2213 0.4501 0.7297
115 12 0.4509 0.237 0.2796
116 12 0.4296 0.5473 0.613
117 12 0.763 0.2139 0.2796
118 12 0.4527 0.8824 0.613
119 13 0.3223 0.9976 0.5843
120 13 0.6691 0.658 0.9177
121 13 0.0024 0.3247 0.5843
122 13 0.3419 0.011 0.9177
123 14 0.0084 0.6788 0.0832
124 14 0.9879 0.6629 0.4165
125 14 0.3212 0.3296 0.0832
126 14 0.3371 0.325 0.4165
X-ray density (g/cm cub.) = 2.63
MU (1/cm) = 78.215 Mass attenuation coefficient (cm**2/g) = 29.795
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 4
2.037 11
1.9524 13
1.957 7
1.9782 10
2 Li 2.448 4
2.0004 12
1.9707 14
2.0248 9
1.9823 8
3 Si 2.1 4
1.6335 14
1.641 10
1.6309 11
1.6319 12
4 Al 2.316 4
1.7674 13
1.7548 11
1.7805 9
1.7649 12
5 Si 2.1 4
1.6322 8
1.623 7
1.6366 9
1.6316 13
6 Al 2.316 4
1.7605 7
1.752 8
1.7688 10
1.7582 14
7 O 3.264 9
2.6974 9
3.2163 12
2.6883 13
2.6298 8
3.1837 10
2.8409 8
2.8721 10
3.1242 13
2.8106 14
8 O 3.264 9
2.9376 10
3.1267 11
2.9064 14
2.6298 7
2.6713 9
2.6245 13
3.1253 14
2.8411 7
3.189 9
9 O 3.264 7
2.6974 7
2.6641 13
2.6713 8
3.1889 8
2.9562 11
2.8687 12
2.8702 13
10 O 3.264 9
2.9376 8
2.8673 14
3.1837 7
2.646 11
2.673 14
2.8722 7
3.2629 11
2.7081 12
3.1669 13
11 O 3.264 9
3.1267 8
2.8305 12
2.662 12
3.2099 13
2.6459 10
2.8909 13
2.6465 14
2.9562 9
3.2627 10
12 O 3.264 8
3.2163 7
2.662 11
2.8305 11
3.1634 14
2.8689 9
2.708 10
2.8918 13
2.6753 14
13 O 3.264 11
2.6883 7
2.6641 9
3.2099 11
2.6245 8
2.8908 11
3.1243 7
2.87 9
3.1671 10
2.892 12
3.0238 13
3.0239 13
14 O 3.264 10
2.9064 8
2.8673 10
3.1634 12
3.1254 8
2.673 10
2.6465 11
3.0251 14
3.0252 14
2.8106 7
2.6756 12
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 0 1 6.176 12.352 0.07 169.83 6 8.5 3.6
2 1 1 0 6.537 13.074 0.074 151.35 6 87.8 340.6
3 2 0 -1 9.012 18.023 0.102 78.58 6 16.7 6.4
4 1 0 -2 10.52 21.04 0.119 57.09 6 125.8 263.5
5 1 2 -1 11.165 22.33 0.126 50.44 6 178.4 468.3
6 2 1 1 11.165 22.33 0.126 50.44 6 148.5 324.3
7 3 0 0 11.372 22.745 0.128 48.55 6 133.9 253.8
8 2 0 2 12.425 24.851 0.14 40.33 6 70.5 58.5
9 2 2 0 13.161 26.322 0.148 35.72 6 280.4 819.3
10 1 2 2 14.089 28.178 0.158 30.92 6 89.4 72.1
11 2 1 -2 14.089 28.178 0.158 30.92 6 85.7 66.2
12 1 3 1 14.586 29.171 0.163 28.72 6 97.2 79.2
13 3 1 -1 14.586 29.171 0.163 28.72 6 47.9 19.2
14 0 0 3 14.804 29.608 0.166 27.82 2 8.7 0.2
15 4 0 1 16.043 32.087 0.179 23.4 6 32.0 7.0
16 1 1 -3 16.244 32.488 0.182 22.78 6 238.3 377.3
17 1 1 3 16.244 32.488 0.182 22.78 6 236.5 371.6
18 1 3 -2 16.969 33.938 0.189 20.72 6 15.7 1.5
19 3 1 2 16.969 33.938 0.189 20.72 6 8.1 0.4
20 2 3 -1 17.391 34.783 0.194 19.64 6 11.7 0.8
21 3 2 1 17.391 34.783 0.194 19.64 6 17.4 1.7
22 1 4 0 17.53 35.06 0.196 19.3 6 4.8 0.1
23 4 1 0 17.53 35.06 0.196 19.3 6 313.9 555.0
24 4 0 -2 18.257 36.513 0.203 17.66 6 75.3 29.2
25 3 0 -3 18.829 37.659 0.21 16.5 6 162.9 127.8
26 3 0 3 18.829 37.659 0.21 16.5 6 157.9 119.9
27 2 3 2 19.47 38.941 0.216 15.32 6 5.2 0.1
28 3 2 -2 19.47 38.941 0.216 15.32 6 23.5 2.5
29 5 0 -1 19.846 39.693 0.22 14.69 6 14.6 0.9
30 3 3 0 19.971 39.941 0.222 14.48 6 171.3 123.9
31 2 2 -3 20.013 40.027 0.222 14.41 6 88.7 33.1
32 2 2 3 20.013 40.027 0.222 14.41 6 89.8 33.9
33 1 0 4 20.302 40.603 0.225 13.96 6 8.6 0.3
34 2 4 1 20.982 41.965 0.232 12.97 6 79.0 23.6
35 4 2 -1 20.982 41.965 0.232 12.97 6 28.7 3.1
36 2 0 -4 21.418 42.835 0.237 12.39 6 34.2 4.2
37 5 0 2 21.726 43.452 0.24 12.0 6 70.5 17.4
38 1 5 -1 22.07 44.14 0.244 11.58 6 14.1 0.7
39 5 1 1 22.07 44.14 0.244 11.58 6 5.0 0.1
40 1 2 -4 22.489 44.977 0.248 11.1 6 12.4 0.5
41 2 1 4 22.489 44.977 0.248 11.1 6 21.9 1.5
42 2 4 -2 22.785 45.57 0.251 10.78 6 41.5 5.4
43 4 2 2 22.785 45.57 0.251 10.78 6 39.8 5.0
44 6 0 0 23.227 46.454 0.256 10.32 6 136.7 56.2
45 1 4 -3 23.265 46.53 0.256 10.28 6 6.2 0.1
46 1 4 3 23.265 46.53 0.256 10.28 6 7.2 0.2
47 4 1 -3 23.265 46.53 0.256 10.28 6 106.0 33.7
48 4 1 3 23.265 46.53 0.256 10.28 6 101.0 30.6
49 1 5 2 23.807 47.615 0.262 9.76 6 11.7 0.4
50 5 1 -2 23.807 47.615 0.262 9.76 6 35.2 3.5
51 3 4 -1 24.128 48.257 0.265 9.46 6 134.0 49.6
52 4 3 1 24.128 48.257 0.265 9.46 6 67.7 12.6
53 2 5 0 24.235 48.47 0.266 9.37 6 201.8 111.3
54 5 2 0 24.235 48.47 0.266 9.37 6 36.5 3.6
55 1 3 4 24.519 49.039 0.269 9.12 6 29.1 2.3
56 3 1 -4 24.519 49.039 0.269 9.12 6 29.0 2.2
57 3 3 -3 25.248 50.496 0.277 8.54 6 249.6 155.1
58 3 3 3 25.248 50.496 0.277 8.54 6 233.3 135.5
59 4 0 4 25.489 50.978 0.279 8.35 6 114.1 31.7
60 1 0 -5 25.524 51.049 0.28 8.33 6 2.1 0.0
61 3 4 2 25.759 51.518 0.282 8.16 6 19.1 0.9
62 4 3 -2 25.759 51.518 0.282 8.16 6 30.4 2.2
63 1 6 1 26.062 52.124 0.285 7.94 6 32.1 2.4
64 6 1 -1 26.062 52.124 0.285 7.94 6 28.2 1.8
65 2 3 -4 26.432 52.864 0.289 7.69 6 42.5 4.1
66 3 2 4 26.432 52.864 0.289 7.69 6 51.6 6.0
67 2 0 5 26.467 52.934 0.289 7.67 6 36.7 3.0
68 4 4 0 27.09 54.179 0.296 7.27 6 10.5 0.2
69 1 2 5 27.387 54.773 0.299 7.09 6 80.1 13.3
70 2 1 -5 27.387 54.773 0.299 7.09 6 134.6 37.5
71 1 6 -2 27.61 55.22 0.301 6.96 6 38.3 3.0
72 6 1 2 27.61 55.22 0.301 6.96 6 65.5 8.7
73 3 5 1 27.899 55.799 0.304 6.8 6 42.4 3.6
74 5 3 -1 27.899 55.799 0.304 6.8 6 78.0 12.1
75 7 0 1 27.899 55.799 0.304 6.8 6 65.8 8.6
76 6 0 -3 28.028 56.057 0.305 6.73 6 178.9 62.8
77 6 0 3 28.028 56.057 0.305 6.73 6 185.1 67.3
78 5 0 -4 28.253 56.505 0.307 6.61 6 96.9 18.1
79 2 6 -1 28.788 57.576 0.313 6.33 6 29.1 1.6
80 6 2 1 28.788 57.576 0.313 6.33 6 92.8 15.9
81 2 5 -3 28.915 57.829 0.314 6.27 6 32.3 1.9
82 2 5 3 28.915 57.829 0.314 6.27 6 29.7 1.6
83 5 2 -3 28.915 57.829 0.314 6.27 6 39.7 2.9
84 5 2 3 28.915 57.829 0.314 6.27 6 34.4 2.2
85 2 4 4 29.134 58.269 0.316 6.17 6 20.0 0.7
86 4 2 -4 29.134 58.269 0.316 6.17 6 59.4 6.3
87 1 3 -5 29.167 58.334 0.316 6.15 6 29.8 1.6
88 3 1 5 29.167 58.334 0.316 6.15 6 77.1 10.7
89 3 5 -2 29.381 58.763 0.318 6.05 6 6.1 0.1
90 5 3 2 29.381 58.763 0.318 6.05 6 43.4 3.3
91 7 0 -2 29.381 58.763 0.318 6.05 6 20.1 0.7
92 1 7 0 29.752 59.503 0.322 5.88 6 211.4 76.7
93 7 1 0 29.752 59.503 0.322 5.88 6 192.3 63.5
94 1 5 -4 29.999 59.999 0.325 5.77 6 45.1 3.4
95 5 1 4 29.999 59.999 0.325 5.77 6 35.4 2.1
96 4 0 -5 30.031 60.063 0.325 5.76 6 30.8 1.6
97 2 6 2 30.242 60.485 0.327 5.67 6 74.4 9.2
98 6 2 -2 30.242 60.485 0.327 5.67 6 112.8 21.1
99 0 0 6 30.732 61.464 0.332 5.47 2 526.5 147.5
100 2 3 5 30.881 61.762 0.333 5.41 6 25.9 1.1
101 3 2 -5 30.881 61.762 0.333 5.41 6 13.0 0.3
102 4 5 -1 31.357 62.715 0.338 5.23 6 20.4 0.6
103 5 4 1 31.357 62.715 0.338 5.23 6 68.1 7.1
104 3 6 0 31.447 62.894 0.339 5.2 6 101.4 15.6
105 6 3 0 31.447 62.894 0.339 5.2 6 111.3 18.8
106 4 4 -3 31.478 62.956 0.339 5.19 6 66.0 6.6
107 4 4 3 31.478 62.956 0.339 5.19 6 67.3 6.9
108 1 1 -6 31.571 63.141 0.34 5.16 6 49.2 3.6
109 1 1 6 31.571 63.141 0.34 5.16 6 52.4 4.1
110 3 4 -4 31.687 63.374 0.341 5.11 6 54.4 4.4
111 4 3 4 31.687 63.374 0.341 5.11 6 109.0 17.7
112 8 0 -1 32.187 64.374 0.346 4.94 6 76.2 8.4
113 5 0 5 32.542 65.084 0.349 4.83 6 31.9 1.4
114 4 5 2 32.744 65.487 0.351 4.76 6 82.0 9.3
115 5 4 -2 32.744 65.487 0.351 4.76 6 20.0 0.6
116 2 7 1 33.005 66.01 0.354 4.68 6 38.8 2.1
117 7 2 -1 33.005 66.01 0.354 4.68 6 60.0 4.9
118 3 0 -6 33.213 66.425 0.356 4.62 6 51.1 3.5
119 3 0 6 33.213 66.425 0.356 4.62 6 64.5 5.6
120 1 6 4 33.326 66.651 0.357 4.59 6 16.2 0.4
121 6 1 -4 33.326 66.651 0.357 4.59 6 33.5 1.5
122 2 4 -5 33.356 66.711 0.357 4.58 6 68.0 6.2
123 4 2 5 33.356 66.711 0.357 4.58 6 33.9 1.5
124 8 0 2 33.555 67.109 0.359 4.52 6 3.0 0.0
125 1 7 -3 33.929 67.857 0.362 4.42 6 362.7 169.5
126 1 7 3 33.929 67.857 0.362 4.42 6 363.5 170.3
127 7 1 -3 33.929 67.857 0.362 4.42 6 206.2 54.8
128 7 1 3 33.929 67.857 0.362 4.42 6 208.0 55.7
129 2 2 -6 34.018 68.036 0.363 4.39 6 172.7 38.2
130 2 2 6 34.018 68.036 0.363 4.39 6 172.5 38.2
131 1 5 5 34.159 68.319 0.364 4.36 6 61.7 4.8
132 5 1 -5 34.159 68.319 0.364 4.36 6 19.5 0.5
133 2 7 -2 34.356 68.712 0.366 4.3 6 12.5 0.2
134 7 2 2 34.356 68.712 0.366 4.3 6 60.2 4.6
135 1 8 -1 34.612 69.223 0.369 4.24 6 57.1 4.0
136 8 1 1 34.612 69.223 0.369 4.24 6 30.8 1.2
137 5 5 0 34.696 69.393 0.369 4.22 6 160.1 31.6
138 3 5 4 34.925 69.85 0.372 4.16 6 22.5 0.6
139 5 3 -4 34.925 69.85 0.372 4.16 6 41.9 2.1
140 7 0 4 34.925 69.85 0.372 4.16 6 22.1 0.6
141 4 6 1 35.402 70.803 0.376 4.05 6 3.2 0.0
142 6 4 -1 35.402 70.803 0.376 4.05 6 50.0 2.9
143 3 6 -3 35.515 71.03 0.377 4.03 6 19.8 0.5
144 3 6 3 35.515 71.03 0.377 4.03 6 24.4 0.7
145 6 3 -3 35.515 71.03 0.377 4.03 6 255.8 76.8
146 6 3 3 35.515 71.03 0.377 4.03 6 251.2 74.1
147 2 6 -4 35.712 71.424 0.379 3.98 6 40.0 1.9
148 6 2 4 35.712 71.424 0.379 3.98 6 73.0 6.2
149 3 4 5 35.741 71.482 0.379 3.98 6 110.0 14.0
150 4 3 -5 35.741 71.482 0.379 3.98 6 56.1 3.6
151 1 8 2 35.934 71.868 0.381 3.93 6 6.6 0.0
152 8 1 -2 35.934 71.868 0.381 3.93 6 89.8 9.3
153 3 7 -1 36.184 72.369 0.383 3.88 6 46.4 2.4
154 7 3 1 36.184 72.369 0.383 3.88 6 8.8 0.1
155 9 0 0 36.268 72.536 0.384 3.86 6 292.2 96.2
156 1 4 -6 36.383 72.767 0.385 3.84 6 38.1 1.6
157 1 4 6 36.383 72.767 0.385 3.84 6 34.2 1.3
158 4 1 -6 36.383 72.767 0.385 3.84 6 224.2 56.3
159 4 1 6 36.383 72.767 0.385 3.84 6 223.5 56.0
160 4 6 -2 36.712 73.424 0.388 3.77 6 75.4 6.3
161 6 4 2 36.712 73.424 0.388 3.77 6 30.7 1.0
162 1 0 7 36.856 73.712 0.389 3.75 6 16.4 0.3
163 2 8 0 37.043 74.086 0.391 3.71 6 31.0 1.0
164 8 2 0 37.043 74.086 0.391 3.71 6 17.8 0.3
165 1 6 -5 37.294 74.588 0.393 3.67 6 78.7 6.6
166 6 1 5 37.294 74.588 0.393 3.67 6 4.2 0.0
167 3 7 2 37.484 74.968 0.395 3.63 6 30.9 1.0
168 7 3 -2 37.484 74.968 0.395 3.63 6 32.0 1.1
169 2 0 -7 37.627 75.253 0.396 3.61 6 55.8 3.3
170 3 3 -6 37.926 75.853 0.399 3.56 6 30.2 0.9
171 3 3 6 37.926 75.853 0.399 3.56 6 28.6 0.8
172 4 5 -4 38.033 76.066 0.4 3.54 6 111.7 12.9
173 5 4 4 38.033 76.066 0.4 3.54 6 38.9 1.6
174 1 2 -7 38.392 76.784 0.403 3.48 6 146.8 21.9
175 2 1 7 38.392 76.784 0.403 3.48 6 60.2 3.7
176 5 5 -3 38.605 77.21 0.405 3.45 6 129.7 16.9
177 5 5 3 38.605 77.21 0.405 3.45 6 129.3 16.8
178 8 0 -4 38.796 77.592 0.407 3.42 6 30.3 0.9
179 3 5 -5 38.824 77.648 0.407 3.42 6 55.4 3.1
180 5 3 5 38.824 77.648 0.407 3.42 6 79.5 6.3
181 7 0 -5 38.824 77.648 0.407 3.42 6 94.8 8.9
182 1 9 1 39.255 78.51 0.411 3.35 6 64.0 4.0
183 5 6 -1 39.255 78.51 0.411 3.35 6 23.7 0.5
184 6 5 1 39.255 78.51 0.411 3.35 6 16.9 0.3
185 9 1 -1 39.255 78.51 0.411 3.35 6 63.9 4.0
186 4 7 0 39.336 78.672 0.411 3.34 6 7.3 0.1
187 7 4 0 39.336 78.672 0.411 3.34 6 104.5 10.6
188 2 7 4 39.554 79.108 0.413 3.31 6 12.8 0.2
189 7 2 -4 39.554 79.108 0.413 3.31 6 20.3 0.4
190 2 6 5 39.582 79.164 0.414 3.31 6 6.4 0.0
191 6 2 -5 39.582 79.164 0.414 3.31 6 121.4 14.2
192 1 3 7 39.909 79.818 0.416 3.27 6 115.4 12.7
193 3 1 -7 39.909 79.818 0.416 3.27 6 15.2 0.2
194 9 0 -3 40.119 80.239 0.418 3.24 6 9.9 0.1
195 9 0 3 40.119 80.239 0.418 3.24 6 9.8 0.1
196 6 0 -6 40.203 80.407 0.419 3.23 6 119.1 13.4
197 6 0 6 40.203 80.407 0.419 3.23 6 132.2 16.5
198 1 9 -2 40.522 81.044 0.422 3.19 6 75.6 5.3
199 5 6 2 40.522 81.044 0.422 3.19 6 66.8 4.2
200 6 5 -2 40.522 81.044 0.422 3.19 6 52.7 2.6
201 9 1 2 40.522 81.044 0.422 3.19 6 147.0 20.1
202 4 0 7 40.662 81.323 0.423 3.18 6 58.7 3.2
203 3 8 1 40.763 81.526 0.424 3.16 6 74.9 5.2
204 8 3 -1 40.763 81.526 0.424 3.16 6 99.5 9.1
205 2 8 -3 40.871 81.743 0.425 3.15 6 132.0 16.0
206 2 8 3 40.871 81.743 0.425 3.15 6 137.5 17.4
207 8 2 -3 40.871 81.743 0.425 3.15 6 30.9 0.9
208 8 2 3 40.871 81.743 0.425 3.15 6 33.5 1.0
209 2 5 -6 40.955 81.91 0.425 3.14 6 142.7 18.7
210 2 5 6 40.955 81.91 0.425 3.14 6 135.4 16.8
211 5 2 -6 40.955 81.91 0.425 3.14 6 5.7 0.0
212 5 2 6 40.955 81.91 0.425 3.14 6 0.9 0.0
213 1 8 -4 41.06 82.119 0.426 3.13 6 57.3 3.0
214 8 1 4 41.06 82.119 0.426 3.13 6 77.9 5.5
215 2 3 -7 41.411 82.823 0.429 3.1 6 9.9 0.1
216 3 2 7 41.411 82.823 0.429 3.1 6 1.9 0.0
217 10 0 1 41.513 83.025 0.43 3.08 6 18.7 0.3
218 4 6 4 41.808 83.616 0.433 3.06 6 100.7 9.0
219 6 4 -4 41.808 83.616 0.433 3.06 6 48.1 2.1
220 4 5 5 41.836 83.672 0.433 3.05 6 39.8 1.4
221 5 4 -5 41.836 83.672 0.433 3.05 6 50.9 2.3
222 3 8 -2 42.02 84.04 0.435 3.04 6 121.7 13.1
223 8 3 2 42.02 84.04 0.435 3.04 6 70.6 4.4
224 2 9 -1 42.26 84.519 0.437 3.01 6 56.7 2.8
225 9 2 1 42.26 84.519 0.437 3.01 6 33.7 1.0
226 3 7 -4 42.554 85.109 0.439 2.99 6 11.6 0.1
227 7 3 4 42.554 85.109 0.439 2.99 6 7.7 0.1
228 8 0 5 42.582 85.164 0.439 2.99 6 62.9 3.5
229 10 0 -2 42.766 85.531 0.441 2.97 6 141.6 17.4
230 5 0 -7 42.904 85.808 0.442 2.96 6 19.2 0.3
231 6 6 0 43.084 86.169 0.443 2.95 6 43.1 1.6
232 4 7 -3 43.112 86.224 0.444 2.95 6 17.5 0.3
233 4 7 3 43.112 86.224 0.444 2.95 6 17.5 0.3
234 7 4 -3 43.112 86.224 0.444 2.95 6 138.4 16.5
235 7 4 3 43.112 86.224 0.444 2.95 6 140.5 17.0
236 4 4 -6 43.195 86.39 0.444 2.94 6 8.6 0.1
237 4 4 6 43.195 86.39 0.444 2.94 6 14.9 0.2
238 1 0 -8 43.198 86.397 0.444 2.94 6 91.3 7.1
239 2 7 -5 43.326 86.653 0.445 2.93 6 28.8 0.7
240 7 2 5 43.326 86.653 0.445 2.93 6 104.7 9.4
241 2 9 2 43.51 87.02 0.447 2.92 6 77.9 5.2
242 9 2 -2 43.51 87.02 0.447 2.92 6 5.7 0.0
243 2 4 7 43.648 87.296 0.448 2.91 6 74.2 4.7
244 4 2 -7 43.648 87.296 0.448 2.91 6 17.5 0.3
245 5 7 1 43.749 87.497 0.449 2.9 6 66.5 3.7
246 7 5 -1 43.749 87.497 0.449 2.9 6 15.4 0.2
247 1 10 0 43.828 87.656 0.45 2.9 6 33.6 1.0
248 10 1 0 43.828 87.656 0.45 2.9 6 137.3 15.9
249 2 0 8 43.942 87.884 0.45 2.89 6 46.4 1.8
250 1 5 -7 44.391 88.782 0.454 2.86 6 39.6 1.3
251 5 1 7 44.391 88.782 0.454 2.86 6 27.1 0.6
252 4 8 -1 44.492 88.983 0.455 2.86 6 3.7 0.0
253 8 4 1 44.492 88.983 0.455 2.86 6 77.7 5.0
254 1 2 8 44.685 89.369 0.456 2.84 6 68.3 3.9
255 2 1 -8 44.685 89.369 0.456 2.84 6 56.6 2.7
256 1 8 5 44.813 89.625 0.457 2.84 6 53.3 2.3
257 8 1 -5 44.813 89.625 0.457 2.84 6 47.9 1.9
258 5 7 -2 44.996 89.992 0.459 2.83 6 21.3 0.4
259 7 5 2 44.996 89.992 0.459 2.83 6 13.8 0.2
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 6.537 13.074 6.766 340.6 41.6 42.0 5.6
2 1 0 2 10.52 21.04 4.21882 263.5 32.2 32.3 5.6
3 1 2 1 11.165 22.33 3.97792 792.6 96.7 97.0 5.6
4 3 0 0 11.372 22.745 3.90635 253.8 31.0 31.1 5.6
5 2 0 2 12.425 24.851 3.57991 58.5 7.1 7.1 5.6
6 2 2 0 13.161 26.322 3.383 819.3 100.0 100.0 5.6
7 1 2 2 14.089 28.178 3.16428 138.3 16.9 16.9 5.6
8 1 3 1 14.586 29.171 3.05875 98.4 12.0 12.0 5.6
9 1 1 3 16.244 32.488 2.75369 748.9 91.4 90.9 5.6
10 4 1 0 17.53 35.06 2.55731 555.0 67.7 67.2 5.7
11 4 0 2 18.257 36.513 2.45881 29.2 3.6 3.5 5.7
12 3 0 3 18.829 37.659 2.38661 247.7 30.2 29.9 5.7
13 3 3 0 19.971 39.941 2.25533 123.9 15.1 14.9 5.7
14 2 2 3 20.013 40.027 2.25069 67.0 8.2 8.1 5.7
15 2 4 1 20.982 41.965 2.15113 26.7 3.3 3.2 5.7
16 5 0 2 21.726 43.452 2.0809 17.4 2.1 2.1 5.7
17 2 4 2 22.785 45.57 1.98896 10.4 1.3 1.2 5.7
18 6 0 0 23.227 46.454 1.95318 56.2 6.9 6.7 5.7
19 4 1 3 23.265 46.53 1.95016 64.3 7.8 7.7 5.7
20 3 4 1 24.128 48.257 1.88432 62.2 7.6 7.4 5.7
21 2 5 0 24.235 48.47 1.87655 114.9 14.0 13.7 5.7
22 3 3 3 25.248 50.496 1.80589 290.6 35.5 34.6 5.8
23 4 0 4 25.489 50.978 1.78995 31.7 3.9 3.8 5.8
24 3 2 4 26.432 52.864 1.73042 10.0 1.2 1.2 5.8
25 2 1 5 27.387 54.773 1.67456 50.7 6.2 6.0 5.8
26 6 1 2 27.61 55.22 1.66205 11.7 1.4 1.4 5.8
27 7 0 1 27.899 55.799 1.64618 24.2 3.0 2.9 5.8
28 6 0 3 28.028 56.057 1.63921 130.1 15.9 15.4 5.8
29 5 0 4 28.253 56.505 1.62726 18.1 2.2 2.1 5.8
30 6 2 1 28.788 57.576 1.59952 17.5 2.1 2.1 5.8
31 5 2 3 28.915 57.829 1.59312 8.6 1.0 1.0 5.8
32 3 1 5 29.167 58.334 1.58054 12.3 1.5 1.4 5.8
33 1 7 0 29.752 59.503 1.55223 140.2 17.1 16.5 5.8
34 6 2 2 30.242 60.485 1.52937 30.2 3.7 3.6 5.8
35 0 0 6 30.732 61.464 1.50733 147.5 18.0 17.3 5.8
36 6 3 0 31.447 62.894 1.47646 34.4 4.2 4.0 5.9
37 4 4 3 31.478 62.956 1.47516 13.5 1.6 1.6 5.9
38 4 3 4 31.687 63.374 1.46643 22.2 2.7 2.6 5.9
39 8 0 1 32.187 64.374 1.44604 8.4 1.0 1.0 5.9
40 4 5 2 32.744 65.487 1.42412 9.9 1.2 1.2 5.9
41 3 0 6 33.213 66.425 1.40627 9.1 1.1 1.1 5.9
42 1 7 3 33.929 67.857 1.38004 450.4 55.0 52.3 5.9
43 2 2 6 34.018 68.036 1.37685 76.4 9.3 8.9 5.9
44 5 5 0 34.696 69.393 1.3532 31.6 3.9 3.7 5.9
45 6 3 3 35.515 71.03 1.32597 150.9 18.4 17.4 5.9
46 4 3 5 35.741 71.482 1.31869 25.7 3.1 3.0 5.9
47 8 1 2 35.934 71.868 1.31256 9.3 1.1 1.1 5.9
48 9 0 0 36.268 72.536 1.30212 96.2 11.7 11.1 5.9
49 4 1 6 36.383 72.767 1.29855 115.2 14.1 13.3 6.0
50 4 5 4 38.033 76.066 1.25022 14.5 1.8 1.7 6.0
51 1 2 7 38.392 76.784 1.24031 25.5 3.1 2.9 6.0
52 5 5 3 38.605 77.21 1.23453 33.7 4.1 3.9 6.0
53 7 0 5 38.824 77.648 1.22865 18.3 2.2 2.1 6.0
54 1 9 1 39.255 78.51 1.21731 8.8 1.1 1.0 6.0
55 7 4 0 39.336 78.672 1.21521 10.6 1.3 1.2 6.0
56 6 2 5 39.582 79.164 1.20888 14.2 1.7 1.6 6.0
57 1 3 7 39.909 79.818 1.20062 12.9 1.6 1.5 6.0
58 6 0 6 40.203 80.407 1.1933 29.8 3.6 3.4 6.0
59 9 1 2 40.522 81.044 1.18552 32.2 3.9 3.6 6.1
60 8 3 1 40.763 81.526 1.17972 14.3 1.7 1.6 6.1
61 2 8 3 40.871 81.743 1.17715 35.3 4.3 4.0 6.1
62 2 5 6 40.955 81.91 1.17517 35.5 4.3 4.0 6.1
63 8 1 4 41.06 82.119 1.1727 8.5 1.0 1.0 6.1
64 4 6 4 41.808 83.616 1.15547 14.8 1.8 1.7 6.1
65 3 8 2 42.02 84.04 1.15072 17.5 2.1 2.0 6.1
66 10 0 2 42.766 85.531 1.13443 17.4 2.1 1.9 6.1
67 7 4 3 43.112 86.224 1.12709 35.6 4.3 4.0 6.1
68 7 2 5 43.326 86.653 1.1226 9.4 1.1 1.0 6.1
69 10 1 0 43.828 87.656 1.11232 15.9 1.9 1.8 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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