Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
HEZUOLINITE
1, t-perrierite, f-perrierite
(Sr,Ce)(4)Zr(Ti,Fe+++,Fe++)(2)Ti(2)O(8)[Si(2)O(7)](2)
Monoclinic C 2/m Z = 2
C2/m
1 .2 .13
Ref.Str.:
Yang Z., Giester G., Ding K., Tillmanns E. (2012)
* Eur. J. Mineral., 24, 189-196
R: from Saima alkaline complex, Liaoning Province, NE China.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.973 alpha = 90.0
b = 5.6984 beta = 114.1
c = 11.988 gamma = 90.0
Unit cell volume (cub. angs.) = 871.33
Molar volume ( cub.cm/mol.) = 262.42
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7691 0.0 0.7393 0.0 Sr = 0.83, Ce = 0.17
2 0.5488 0.5 0.7471 0.0 Sr = 0.87, Ce = 0.13
3 0.0 0.5 0.5 0.0 Zr = 0.91, Fe = 0.09
4 0.5 0.7412 0.0 0.0 Ti = 0.86, Fe = 0.14
5 0.2729 0.0 0.0015 0.0 Ti = 1.00
6 0.4082 0.0 0.735 0.0 Si = 1.00
7 0.8375 0.0 0.4516 0.0 Si = 1.00
8 0.0687 0.2604 0.1822 0.0 O = 1.00
9 0.2105 0.2495 0.8812 0.0 O = 1.00
10 0.3864 0.7361 0.4122 0.0 O = 1.00
11 0.0941 0.0 0.9951 0.0 O = 1.00
12 0.4054 0.0 0.0052 0.0 O = 1.00
13 0.4814 0.0 0.6608 0.0 O = 1.00
14 0.2848 0.0 0.6464 0.0 O = 1.00
15 0.142 0.0 0.4083 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7691 0.0 0.7393
2 2 0.5488 0.5 0.7471
3 3 0.0 0.5 0.5
4 4 0.5 0.7412 0.0
5 5 0.2729 0.0 0.0015
6 6 0.4082 0.0 0.735
7 7 0.8375 0.0 0.4516
8 8 0.0687 0.2604 0.1822
9 9 0.2105 0.2495 0.8812
10 10 0.3864 0.7361 0.4122
11 11 0.0941 0.0 0.9951
12 12 0.4054 0.0 0.0052
13 13 0.4814 0.0 0.6608
14 14 0.2848 0.0 0.6464
15 15 0.142 0.0 0.4083
16 1 0.2309 0.0 0.2607
17 2 0.4512 0.5 0.2529
18 4 0.5 0.2588 0.0
19 5 0.7271 0.0 0.9985
20 6 0.5918 0.0 0.265
21 7 0.1625 0.0 0.5484
22 8 0.9313 0.7396 0.8178
23 9 0.7895 0.7505 0.1188
24 10 0.6136 0.2639 0.5878
25 11 0.9059 0.0 0.0049
26 12 0.5946 0.0 0.9948
27 13 0.5186 0.0 0.3392
28 14 0.7152 0.0 0.3536
29 15 0.858 0.0 0.5917
30 8 0.0687 0.7396 0.1822
31 9 0.2105 0.7505 0.8812
32 10 0.3864 0.2639 0.4122
33 8 0.9313 0.2604 0.8178
34 9 0.7895 0.2495 0.1188
35 10 0.6136 0.7361 0.5878
36 1 0.2691 0.5 0.7393
37 2 0.0488 0.0 0.7471
38 3 0.5 0.0 0.5
39 4 0.0 0.7588 0.0
40 5 0.7729 0.5 0.0015
41 6 0.9082 0.5 0.735
42 7 0.3375 0.5 0.4516
43 8 0.5687 0.2396 0.1822
44 9 0.7105 0.2505 0.8812
45 10 0.8864 0.7639 0.4122
46 11 0.5941 0.5 0.9951
47 12 0.9054 0.5 0.0052
48 13 0.9814 0.5 0.6608
49 14 0.7848 0.5 0.6464
50 15 0.642 0.5 0.4083
51 1 0.7309 0.5 0.2607
52 2 0.9512 0.0 0.2529
53 4 0.0 0.2412 0.0
54 5 0.2271 0.5 0.9985
55 6 0.0918 0.5 0.265
56 7 0.6625 0.5 0.5484
57 8 0.4313 0.7604 0.8178
58 9 0.2895 0.7495 0.1188
59 10 0.1136 0.2361 0.5878
60 11 0.4059 0.5 0.0049
61 12 0.0946 0.5 0.9948
62 13 0.0186 0.5 0.3392
63 14 0.2152 0.5 0.3536
64 15 0.358 0.5 0.5917
65 8 0.5687 0.7604 0.1822
66 9 0.7105 0.7495 0.8812
67 10 0.8864 0.2361 0.4122
68 8 0.4313 0.2396 0.8178
69 9 0.2895 0.2505 0.1188
70 10 0.1136 0.7639 0.5878
X-ray density (g/cm cub.) = 4.3
MU (1/cm) = 716.938 Mass attenuation coefficient (cm**2/g) = 166.788
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sr ,Ce 3.072 8
2.5456 8
2.6565 10
2.9706 11
2.5429 15
2.5456 8
2.6565 10
2.5971 9
2.5971 9
2 Sr ,Ce 3.072 10
3.0461 13
3.0461 13
2.7727 10
2.7727 10
2.5972 9
2.7758 11
2.5993 8
2.5535 15
2.5972 9
2.5993 8
3 Zr ,Fe 2.616 6
2.1271 10
2.0476 13
2.1271 10
2.0476 13
2.1271 10
2.1271 10
4 Ti ,Fe 2.592 6
1.9982 12
1.9982 12
1.9196 11
1.9976 8
1.9196 11
1.9976 8
5 Ti 2.568 6
1.9579 9
2.4683 11
1.8335 12
1.9579 9
1.9498 9
1.9498 9
6 Si 2.1 4
1.6057 13
1.6146 14
1.6411 8
1.6411 8
7 Si 2.1 4
1.6309 14
1.5836 15
1.663 10
1.663 10
8 O 3.264 9
2.8293 11
2.8866 15
2.8189 11
2.7307 8
2.9677 8
2.7603 12
2.7753 12
2.6413 13
2.6156 14
9 O 3.264 8
2.8881 11
2.8884 12
2.8549 9
2.8435 9
3.2131 10
2.8959 11
2.8831 12
2.5998 9
10 O 3.264 8
3.1104 13
2.7856 13
3.0076 10
2.6908 10
3.0087 10
3.2131 9
2.5795 14
2.701 15
11 O 3.264 11
2.8293 8
2.8881 9
2.8189 8
2.6798 11
2.8293 8
2.8881 9
2.8189 8
2.8959 9
2.8492 12
2.8492 12
2.8959 9
12 O 3.264 11
2.8884 9
2.697 12
2.8884 9
2.7603 8
2.7753 8
2.8831 9
2.8492 11
2.8492 11
2.7603 8
2.7753 8
2.8831 9
13 O 3.264 9
3.1104 10
2.6812 14
2.7856 10
3.1104 10
2.7856 10
2.6413 8
3.2574 15
3.2574 15
2.6413 8
14 O 3.264 8
2.6812 13
2.7345 15
2.6156 8
2.5795 10
3.1846 15
3.1846 15
2.6156 8
2.5795 10
15 O 3.264 9
2.8866 8
2.7345 14
2.8866 8
2.701 10
3.2574 13
3.2574 13
3.1846 14
3.1846 14
2.701 10
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 0 0 1 4.688 9.377 0.046 296.37 2 45.8 163.6
2 2 0 -1 7.489 14.979 0.073 114.77 2 36.8 40.9
3 2 0 0 8.062 16.125 0.078 98.73 2 62.2 100.7
4 0 0 2 9.409 18.817 0.091 71.91 2 34.0 21.9
5 2 0 -2 9.575 19.151 0.093 69.36 2 76.7 107.6
6 1 1 0 9.899 19.799 0.096 64.75 4 49.6 84.0
7 1 1 -1 10.232 20.465 0.099 60.47 4 89.3 254.3
8 2 0 1 10.893 21.787 0.106 53.1 2 41.1 23.7
9 1 1 1 11.67 23.341 0.113 45.99 4 11.9 3.4
10 1 1 -2 12.51 25.02 0.121 39.76 4 124.5 324.8
11 2 0 -3 13.144 26.289 0.127 35.82 2 131.6 163.4
12 0 0 3 14.194 28.389 0.137 30.43 2 131.1 137.7
13 3 1 -1 14.363 28.726 0.139 29.68 4 109.7 188.0
14 2 0 2 14.785 29.569 0.143 27.9 2 29.1 6.2
15 1 1 2 14.845 29.69 0.143 27.65 4 163.1 387.5
16 4 0 -1 14.96 29.92 0.144 27.2 2 9.4 0.6
17 3 1 -2 15.063 30.125 0.145 26.81 4 102.9 149.4
18 4 0 -2 15.111 30.222 0.146 26.62 2 59.0 24.4
19 3 1 0 15.217 30.435 0.147 26.22 4 69.5 66.8
20 1 1 -3 15.964 31.928 0.154 23.65 4 70.8 62.5
21 4 0 0 16.29 32.581 0.157 22.64 2 261.7 408.6
22 4 0 -3 16.707 33.413 0.161 21.44 2 256.9 372.7
23 3 1 -3 17.145 34.289 0.165 20.26 4 390.3 1626.1
24 2 0 -4 17.369 34.738 0.167 19.7 2 154.9 124.5
25 3 1 1 17.42 34.839 0.167 19.57 4 427.6 1885.3
26 0 2 0 18.296 36.593 0.175 17.58 2 388.0 697.0
27 1 1 3 18.788 37.576 0.18 16.58 4 110.4 106.4
28 4 0 1 18.822 37.644 0.18 16.51 2 192.3 160.8
29 0 2 1 18.929 37.858 0.181 16.31 4 131.8 149.3
30 0 0 4 19.084 38.168 0.183 16.02 2 423.7 757.6
31 2 0 3 19.175 38.351 0.184 15.85 2 26.2 2.9
32 4 0 -4 19.432 38.864 0.186 15.39 2 197.8 158.6
33 2 2 -1 19.872 39.744 0.19 14.64 4 111.6 96.1
34 1 1 -4 20.067 40.134 0.192 14.33 4 90.3 61.6
35 2 2 0 20.111 40.222 0.192 14.26 4 74.5 41.7
36 3 1 -4 20.235 40.469 0.193 14.07 4 41.2 12.6
37 3 1 2 20.593 41.185 0.197 13.53 4 112.8 90.6
38 0 2 2 20.729 41.458 0.198 13.33 4 161.8 183.8
39 2 2 -2 20.811 41.621 0.199 13.21 4 114.2 90.8
40 5 1 -2 20.92 41.84 0.2 13.06 4 183.5 231.7
41 5 1 -1 21.207 42.414 0.202 12.67 4 20.8 2.9
42 2 2 1 21.495 42.991 0.205 12.29 4 132.5 113.6
43 5 1 -3 21.765 43.53 0.207 11.95 4 35.5 7.9
44 2 0 -5 21.963 43.927 0.209 11.71 2 49.1 7.4
45 4 0 2 22.207 44.415 0.211 11.42 2 119.2 42.8
46 5 1 0 22.592 45.183 0.215 10.99 4 12.8 0.9
47 6 0 -2 22.592 45.185 0.215 10.98 2 168.8 82.4
48 2 2 -3 22.808 45.616 0.217 10.75 4 97.0 53.3
49 4 0 -5 22.954 45.907 0.218 10.6 2 251.1 176.0
50 6 0 -3 23.019 46.038 0.219 10.53 2 34.2 3.2
51 1 1 4 23.199 46.398 0.22 10.35 4 19.4 2.1
52 6 0 -1 23.235 46.47 0.221 10.31 2 132.5 47.7
53 0 2 3 23.475 46.95 0.223 10.07 4 107.3 61.1
54 5 1 -4 23.645 47.29 0.224 9.91 4 35.4 6.6
55 2 2 2 23.864 47.728 0.226 9.7 4 20.1 2.1
56 2 0 4 23.89 47.781 0.226 9.68 2 72.1 13.3
57 4 2 -1 23.981 47.963 0.227 9.6 4 336.7 573.0
58 3 1 -5 24.021 48.042 0.228 9.56 4 171.4 148.0
59 4 2 -2 24.083 48.166 0.228 9.5 4 207.9 216.4
60 0 0 5 24.122 48.245 0.228 9.47 2 88.7 19.6
61 3 1 3 24.438 48.876 0.231 9.19 4 159.2 122.7
62 6 0 -4 24.471 48.942 0.232 9.17 2 114.6 31.7
63 1 1 -5 24.591 49.183 0.233 9.06 4 129.3 79.9
64 6 0 0 24.882 49.765 0.235 8.82 2 112.9 29.6
65 4 2 0 24.897 49.795 0.235 8.81 4 158.3 116.3
66 5 1 1 24.93 49.859 0.236 8.79 4 74.0 25.4
67 4 2 -3 25.193 50.386 0.238 8.58 4 119.9 65.0
68 2 2 -4 25.672 51.343 0.242 8.22 4 42.0 7.6
69 4 0 3 26.204 52.408 0.247 7.84 2 83.5 14.4
70 5 1 -5 26.391 52.783 0.248 7.72 4 2.5 0.0
71 4 2 1 26.754 53.508 0.252 7.48 4 66.5 17.4
72 6 0 -5 26.824 53.648 0.252 7.44 2 108.5 23.1
73 2 0 -6 26.852 53.703 0.252 7.42 2 152.7 45.6
74 0 2 4 26.953 53.907 0.253 7.36 4 396.4 609.0
75 2 2 3 27.024 54.047 0.254 7.31 4 218.8 184.4
76 4 0 -6 27.053 54.106 0.254 7.29 2 58.7 6.6
77 4 2 -4 27.221 54.442 0.256 7.19 4 107.2 43.5
78 6 0 1 27.401 54.803 0.257 7.08 2 90.8 15.4
79 1 1 5 27.971 55.943 0.262 6.76 4 8.3 0.2
80 5 1 2 28.049 56.098 0.263 6.72 4 182.1 117.4
81 3 1 -6 28.327 56.654 0.265 6.57 4 34.2 4.1
82 1 3 0 28.431 56.861 0.266 6.52 4 30.2 3.1
83 7 1 -2 28.439 56.879 0.266 6.51 4 183.2 115.2
84 7 1 -3 28.483 56.966 0.267 6.49 4 210.8 151.9
85 1 3 -1 28.567 57.134 0.267 6.45 4 84.6 24.3
86 3 1 4 28.792 57.584 0.269 6.33 4 55.4 10.2
87 2 0 5 28.896 57.793 0.27 6.28 2 100.1 16.6
88 1 3 1 29.201 58.403 0.273 6.13 4 22.7 1.7
89 2 2 -5 29.229 58.458 0.273 6.12 4 226.9 166.0
90 7 1 -1 29.302 58.603 0.274 6.09 4 97.0 30.2
91 0 0 6 29.369 58.737 0.274 6.06 2 57.9 5.3
92 4 2 2 29.428 58.857 0.275 6.03 4 62.1 12.3
93 7 1 -4 29.43 58.86 0.275 6.03 4 150.6 72.1
94 1 1 -6 29.467 58.934 0.275 6.01 4 205.6 133.8
95 1 3 -2 29.603 59.206 0.276 5.95 4 136.5 58.4
96 6 2 -2 29.744 59.488 0.277 5.89 4 121.3 45.7
97 5 1 -6 29.845 59.691 0.278 5.84 4 263.5 213.6
98 6 0 -6 29.936 59.872 0.279 5.8 2 205.5 64.6
99 4 2 -5 30.042 60.085 0.28 5.76 4 152.4 70.4
100 6 2 -3 30.097 60.193 0.28 5.73 4 200.7 121.7
101 6 2 -1 30.276 60.552 0.282 5.66 4 246.7 181.4
102 3 3 -1 30.569 61.137 0.284 5.54 4 100.8 29.6
103 6 0 2 30.653 61.306 0.285 5.5 2 299.4 130.0
104 4 0 4 30.688 61.377 0.285 5.49 2 290.7 122.2
105 8 0 -3 30.821 61.643 0.286 5.44 2 321.1 147.7
106 2 2 4 30.825 61.65 0.286 5.44 4 101.9 29.7
107 1 3 2 30.837 61.673 0.287 5.43 4 153.6 67.5
108 3 3 -2 30.96 61.92 0.288 5.38 4 93.5 24.8
109 0 2 5 31.021 62.041 0.288 5.36 4 105.6 31.5
110 7 1 0 31.022 62.044 0.288 5.36 4 84.0 19.9
111 3 3 0 31.048 62.096 0.288 5.35 4 54.1 8.3
112 8 0 -2 31.084 62.168 0.289 5.34 2 223.8 70.4
113 7 1 -5 31.229 62.457 0.29 5.28 4 8.5 0.2
114 6 2 -4 31.316 62.631 0.291 5.25 4 147.0 59.8
115 8 0 -4 31.425 62.849 0.291 5.21 2 78.2 8.4
116 1 3 -3 31.484 62.967 0.292 5.19 4 67.6 12.5
117 4 0 -7 31.627 63.254 0.293 5.14 2 180.9 44.3
118 6 2 0 31.666 63.332 0.293 5.12 4 118.8 38.1
119 5 1 3 31.816 63.631 0.295 5.07 4 28.9 2.2
120 2 0 -7 32.044 64.088 0.297 4.99 2 53.2 3.7
121 8 0 -1 32.2 64.401 0.298 4.94 2 205.0 54.7
122 3 3 -3 32.203 64.406 0.298 4.94 4 310.5 250.8
123 3 3 1 32.376 64.752 0.299 4.88 4 318.3 260.5
124 4 2 3 32.806 65.611 0.303 4.74 4 164.4 67.6
125 8 0 -5 32.867 65.734 0.303 4.73 2 177.9 39.4
126 3 1 -7 33.084 66.167 0.305 4.66 4 237.1 138.0
127 1 1 6 33.096 66.192 0.305 4.66 4 176.5 76.4
128 1 3 3 33.263 66.527 0.307 4.61 4 71.0 12.2
129 6 2 -5 33.347 66.695 0.307 4.58 4 174.7 73.6
130 2 2 -6 33.371 66.743 0.307 4.57 4 58.0 8.1
131 7 1 1 33.526 67.052 0.309 4.53 4 223.1 118.8
132 4 2 -6 33.548 67.096 0.309 4.52 4 80.0 15.3
133 3 1 5 33.594 67.187 0.309 4.51 4 297.0 209.7
134 6 0 -7 33.697 67.394 0.31 4.48 2 13.5 0.2
135 7 1 -6 33.803 67.607 0.311 4.45 4 140.6 46.3
136 6 2 1 33.855 67.711 0.311 4.44 4 163.8 62.8
137 5 1 -7 33.902 67.804 0.312 4.43 4 156.7 57.2
138 8 0 0 34.126 68.251 0.314 4.37 2 93.8 10.1
139 1 3 -4 34.132 68.264 0.314 4.36 4 61.6 8.7
140 2 0 6 34.226 68.452 0.314 4.34 2 62.4 4.5
141 3 3 -4 34.249 68.498 0.315 4.33 4 69.2 10.9
142 3 3 2 34.5 69.0 0.317 4.27 4 105.8 25.2
143 6 0 3 34.537 69.075 0.317 4.26 2 110.4 13.7
144 1 1 -7 34.705 69.41 0.318 4.22 4 3.6 0.0
145 5 3 -2 34.732 69.464 0.318 4.21 4 154.3 52.8
146 0 0 7 34.901 69.802 0.32 4.17 2 199.9 43.9
147 5 3 -1 34.937 69.875 0.32 4.16 4 33.4 2.4
148 8 0 -6 35.096 70.191 0.321 4.12 2 169.1 31.1
149 2 2 5 35.187 70.374 0.322 4.1 4 135.2 39.5
150 5 3 -3 35.341 70.683 0.323 4.06 4 28.6 1.8
151 0 2 6 35.612 71.225 0.326 4.0 4 140.3 41.5
152 4 0 5 35.628 71.256 0.326 4.0 2 68.9 5.0
153 5 3 0 35.952 71.903 0.328 3.93 4 9.2 0.2
154 6 2 -6 36.126 72.253 0.33 3.89 4 19.0 0.7
155 5 1 4 36.157 72.314 0.33 3.89 4 49.8 5.1
156 1 3 4 36.408 72.817 0.332 3.83 4 13.7 0.4
157 4 0 -8 36.659 73.319 0.334 3.79 2 214.4 45.8
158 9 1 -3 36.673 73.347 0.334 3.78 4 16.5 0.5
159 7 1 2 36.742 73.485 0.334 3.77 4 105.5 22.1
160 5 3 -4 36.748 73.497 0.334 3.77 4 8.1 0.1
161 6 2 2 36.78 73.559 0.335 3.76 4 69.3 9.5
162 8 0 1 36.802 73.604 0.335 3.76 2 148.0 21.7
163 4 2 4 36.812 73.624 0.335 3.76 4 128.1 32.5
164 8 2 -3 36.934 73.867 0.336 3.73 4 37.0 2.7
165 9 1 -4 36.95 73.901 0.336 3.73 4 98.7 19.2
166 3 3 -5 37.038 74.076 0.337 3.71 4 149.7 43.9
167 7 1 -7 37.085 74.17 0.337 3.7 4 175.4 60.0
168 8 2 -2 37.175 74.349 0.338 3.69 4 34.8 2.4
169 9 1 -2 37.194 74.387 0.338 3.68 4 107.8 22.6
170 3 3 3 37.362 74.724 0.339 3.65 4 153.1 45.1
171 1 3 -5 37.482 74.964 0.34 3.63 4 92.3 16.3
172 8 2 -4 37.488 74.976 0.34 3.63 4 31.6 1.9
173 2 0 -8 37.605 75.21 0.341 3.61 2 49.2 2.3
174 4 2 -7 37.675 75.35 0.342 3.6 4 69.5 9.1
175 5 3 1 37.748 75.496 0.342 3.59 4 32.5 2.0
176 9 1 -5 38.018 76.036 0.344 3.54 4 28.2 1.5
177 6 0 -8 38.053 76.105 0.345 3.54 2 61.4 3.5
178 8 0 -7 38.055 76.109 0.345 3.53 2 158.7 23.5
179 2 2 -7 38.06 76.121 0.345 3.53 4 231.8 100.1
180 8 2 -1 38.205 76.41 0.346 3.51 4 246.9 112.8
181 3 1 -8 38.301 76.602 0.346 3.5 4 46.7 4.0
182 9 1 -1 38.5 77.0 0.348 3.46 4 81.6 12.2
183 5 1 -8 38.524 77.047 0.348 3.46 4 4.2 0.0
184 1 1 7 38.628 77.255 0.349 3.44 4 155.6 43.9
185 8 2 -5 38.826 77.651 0.35 3.41 4 278.2 139.3
186 3 1 6 38.861 77.722 0.351 3.41 4 115.6 24.0
187 0 4 0 38.893 77.786 0.351 3.41 2 565.0 286.3
188 5 3 -5 38.921 77.841 0.351 3.4 4 13.1 0.3
189 6 0 4 39.014 78.027 0.352 3.39 2 61.5 3.4
190 0 4 1 39.284 78.568 0.354 3.35 4 15.5 0.4
191 6 2 -7 39.603 79.206 0.356 3.31 4 142.9 35.6
192 9 1 -6 39.856 79.713 0.358 3.27 4 93.5 15.1
193 2 4 -1 39.885 79.771 0.358 3.27 4 33.4 1.9
194 10 0 -4 39.898 79.796 0.359 3.27 2 11.3 0.1
195 10 0 -3 39.9 79.801 0.359 3.27 2 34.6 1.0
196 2 0 7 39.965 79.93 0.359 3.26 2 106.8 9.8
197 8 2 0 40.006 80.013 0.359 3.25 4 16.9 0.5
198 2 4 0 40.041 80.083 0.36 3.25 4 36.1 2.2
199 2 2 6 40.101 80.202 0.36 3.24 4 33.5 1.9
200 8 0 2 40.185 80.369 0.361 3.23 2 120.4 12.3
201 1 3 5 40.228 80.456 0.361 3.23 4 3.8 0.0
202 5 3 2 40.293 80.587 0.362 3.22 4 165.3 46.3
203 1 1 -8 40.379 80.758 0.362 3.21 4 105.3 18.7
204 6 2 3 40.395 80.791 0.362 3.21 4 247.9 103.8
205 0 4 2 40.451 80.902 0.363 3.2 4 48.1 3.9
206 2 4 -2 40.506 81.012 0.363 3.19 4 50.5 4.3
207 3 3 -6 40.528 81.056 0.363 3.19 4 17.7 0.5
208 9 1 0 40.569 81.138 0.364 3.19 4 153.6 39.6
209 7 3 -2 40.623 81.246 0.364 3.18 4 156.5 41.0
210 7 1 3 40.631 81.261 0.364 3.18 4 43.8 3.2
211 7 3 -3 40.66 81.32 0.364 3.18 4 166.3 46.3
212 10 0 -5 40.671 81.343 0.364 3.17 2 92.6 7.2
213 10 0 -2 40.679 81.358 0.364 3.17 2 150.0 18.8
214 0 2 7 40.74 81.48 0.365 3.17 4 28.6 1.4
215 0 0 8 40.836 81.673 0.366 3.16 2 349.1 101.3
216 3 3 4 40.923 81.845 0.366 3.15 4 44.3 3.3
217 8 2 -6 40.925 81.849 0.366 3.15 4 198.8 65.5
218 2 4 1 40.972 81.944 0.367 3.14 4 23.8 0.9
219 7 1 -8 41.037 82.074 0.367 3.13 4 130.5 28.1
220 4 0 6 41.065 82.131 0.367 3.13 2 90.6 6.8
221 5 1 5 41.071 82.141 0.367 3.13 4 29.1 1.4
222 7 3 -1 41.359 82.718 0.369 3.1 4 97.9 15.6
223 4 2 5 41.432 82.864 0.37 3.09 4 9.4 0.1
224 7 3 -4 41.47 82.939 0.37 3.09 4 131.1 28.0
225 1 3 -6 41.502 83.004 0.37 3.09 4 169.4 46.7
226 8 0 -8 41.711 83.423 0.372 3.07 2 66.8 3.6
227 5 3 -6 41.829 83.659 0.373 3.05 4 244.2 96.0
228 2 4 -3 41.896 83.792 0.373 3.05 4 79.3 10.1
229 4 0 -9 42.207 84.414 0.376 3.02 2 112.4 10.0
230 10 0 -6 42.212 84.424 0.376 3.02 2 180.2 25.8
231 10 0 -1 42.225 84.449 0.376 3.02 2 97.1 7.5
232 0 4 3 42.381 84.761 0.377 3.0 4 75.2 9.0
233 4 2 -8 42.42 84.84 0.377 3.0 4 71.0 8.0
234 9 1 -7 42.443 84.886 0.377 3.0 4 20.2 0.6
235 8 2 1 42.557 85.114 0.378 2.99 4 153.1 36.9
236 2 4 2 42.668 85.335 0.379 2.98 4 27.4 1.2
237 4 4 -1 42.755 85.51 0.379 2.97 4 26.7 1.1
238 4 4 -2 42.831 85.662 0.38 2.97 4 22.0 0.8
239 7 3 0 42.862 85.723 0.38 2.96 4 97.9 15.0
240 6 0 -9 43.017 86.035 0.381 2.95 2 0.3 0.0
241 7 3 -5 43.045 86.09 0.382 2.95 4 36.4 2.1
242 2 2 -8 43.333 86.665 0.384 2.93 4 63.1 6.2
243 9 1 1 43.382 86.764 0.384 2.93 4 3.8 0.0
244 4 4 0 43.447 86.893 0.384 2.92 4 191.9 56.7
245 5 3 3 43.569 87.138 0.385 2.91 4 23.6 0.9
246 2 0 -9 43.657 87.315 0.386 2.91 2 72.6 4.0
247 4 4 -3 43.674 87.347 0.386 2.91 4 182.8 51.2
248 5 1 -9 43.745 87.489 0.387 2.9 4 54.1 4.5
249 6 2 -8 43.767 87.534 0.387 2.9 4 259.4 102.8
250 8 2 -7 43.769 87.537 0.387 2.9 4 101.2 15.7
251 2 4 -4 44.045 88.09 0.389 2.88 4 99.3 15.0
252 3 1 -9 44.064 88.129 0.389 2.88 4 126.3 24.2
253 6 0 5 44.111 88.223 0.389 2.88 2 7.0 0.0
254 8 0 3 44.267 88.534 0.39 2.87 2 123.1 11.5
255 10 0 -7 44.511 89.022 0.392 2.85 2 41.3 1.3
256 10 0 0 44.528 89.056 0.392 2.85 2 7.8 0.0
257 3 1 7 44.689 89.378 0.393 2.84 4 133.0 26.5
258 1 1 8 44.69 89.38 0.393 2.84 4 50.3 3.8
259 6 2 4 44.704 89.408 0.393 2.84 4 239.4 85.8
260 3 3 -7 44.718 89.436 0.393 2.84 4 205.7 63.4
261 1 3 6 44.729 89.458 0.393 2.84 4 153.9 35.5
262 4 4 1 44.903 89.806 0.395 2.83 4 138.2 28.5
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 0 0 1 4.688 9.377 10.94306 163.6 8.7 8.8 5.6
2 2 0 -1 7.489 14.979 6.8623 40.9 2.2 2.2 5.6
3 2 0 0 8.062 16.125 6.37752 100.7 5.3 5.4 5.6
4 0 0 2 9.409 18.817 5.47153 21.9 1.2 1.2 5.6
5 2 0 -2 9.575 19.151 5.37714 107.6 5.7 5.8 5.6
6 1 1 0 9.899 19.799 5.20279 84.0 4.5 4.5 5.6
7 1 1 -1 10.232 20.465 5.03522 254.3 13.5 13.6 5.6
8 2 0 1 10.893 21.787 4.73307 23.7 1.3 1.3 5.6
9 1 1 -2 12.51 25.02 4.12943 324.8 17.2 17.4 5.6
10 2 0 -3 13.144 26.289 3.93331 163.4 8.7 8.7 5.6
11 0 0 3 14.194 28.389 3.64769 137.7 7.3 7.3 5.6
12 3 1 -1 14.363 28.726 3.60577 188.0 10.0 10.0 5.6
13 1 1 2 14.845 29.69 3.49115 387.5 20.6 20.6 5.6
14 3 1 -2 15.063 30.125 3.44187 149.4 7.9 8.0 5.6
15 4 0 -2 15.111 30.222 3.43115 24.4 1.3 1.3 5.6
16 3 1 0 15.217 30.435 3.40768 66.8 3.5 3.6 5.6
17 1 1 -3 15.964 31.928 3.2522 62.5 3.3 3.3 5.6
18 4 0 0 16.29 32.581 3.18876 408.6 21.7 21.7 5.6
19 4 0 -3 16.707 33.413 3.11148 372.7 19.8 19.8 5.7
20 3 1 -3 17.145 34.289 3.03429 1626.1 86.3 86.3 5.7
21 2 0 -4 17.369 34.738 2.99623 124.5 6.6 6.6 5.7
22 3 1 1 17.42 34.839 2.98782 1885.3 100.0 100.0 5.7
23 0 2 0 18.296 36.593 2.8492 697.0 37.0 36.9 5.7
24 1 1 3 18.788 37.576 2.77723 106.4 5.6 5.6 5.7
25 4 0 1 18.822 37.644 2.77243 160.8 8.5 8.5 5.7
26 0 2 1 18.929 37.858 2.75727 149.3 7.9 7.9 5.7
27 0 0 4 19.084 38.168 2.73576 757.6 40.2 40.1 5.7
28 4 0 -4 19.432 38.864 2.68857 158.6 8.4 8.4 5.7
29 2 2 -1 19.872 39.744 2.6314 96.1 5.1 5.1 5.7
30 1 1 -4 20.067 40.134 2.60687 61.6 3.3 3.2 5.7
31 2 2 0 20.111 40.222 2.60139 41.7 2.2 2.2 5.7
32 3 1 2 20.593 41.185 2.54309 90.6 4.8 4.8 5.7
33 0 2 2 20.729 41.458 2.5271 183.8 9.8 9.7 5.7
34 2 2 -2 20.811 41.621 2.51761 90.8 4.8 4.8 5.7
35 5 1 -2 20.92 41.84 2.50505 231.7 12.3 12.2 5.7
36 2 2 1 21.495 42.991 2.44104 113.6 6.0 6.0 5.7
37 4 0 2 22.207 44.415 2.36653 42.8 2.3 2.2 5.7
38 6 0 -2 22.592 45.185 2.32829 82.4 4.4 4.3 5.7
39 2 2 -3 22.808 45.616 2.30742 53.3 2.8 2.8 5.7
40 4 0 -5 22.954 45.907 2.29358 176.0 9.3 9.2 5.7
41 6 0 -1 23.235 46.47 2.26732 47.7 2.5 2.5 5.7
42 0 2 3 23.475 46.95 2.2454 61.1 3.2 3.2 5.7
43 4 2 -1 23.981 47.963 2.20072 573.0 30.4 30.0 5.7
44 3 1 -5 24.021 48.042 2.1973 148.0 7.8 7.7 5.7
45 4 2 -2 24.083 48.166 2.19198 216.4 11.5 11.3 5.7
46 0 0 5 24.122 48.245 2.18861 19.6 1.0 1.0 5.7
47 3 1 3 24.438 48.876 2.16204 122.7 6.5 6.4 5.7
48 6 0 -4 24.471 48.942 2.15933 31.7 1.7 1.7 5.7
49 1 1 -5 24.591 49.183 2.14939 79.9 4.2 4.2 5.7
50 4 2 0 24.897 49.795 2.12463 145.9 7.7 7.6 5.7
51 5 1 1 24.93 49.859 2.12206 25.4 1.3 1.3 5.7
52 4 2 -3 25.193 50.386 2.10131 65.0 3.4 3.4 5.8
53 2 0 -6 26.852 53.703 1.98029 68.6 3.6 3.6 5.8
54 0 2 4 26.953 53.907 1.97336 609.0 32.3 31.6 5.8
55 2 2 3 27.024 54.047 1.96863 184.4 9.8 9.6 5.8
56 4 2 -4 27.221 54.442 1.95543 43.5 2.3 2.3 5.8
57 5 1 2 28.049 56.098 1.90218 117.4 6.2 6.1 5.8
58 7 1 -2 28.439 56.879 1.87822 118.3 6.3 6.1 5.8
59 7 1 -3 28.483 56.966 1.87558 151.9 8.1 7.9 5.8
60 1 3 -1 28.567 57.134 1.87051 24.3 1.3 1.3 5.8
61 2 2 -5 29.229 58.458 1.83177 167.7 8.9 8.7 5.8
62 7 1 -1 29.302 58.603 1.82765 30.2 1.6 1.6 5.8
63 7 1 -4 29.43 58.86 1.82039 84.3 4.5 4.4 5.8
64 1 1 -6 29.467 58.934 1.81829 133.8 7.1 6.9 5.8
65 1 3 -2 29.603 59.206 1.81068 58.4 3.1 3.0 5.8
66 6 2 -2 29.744 59.488 1.80289 45.7 2.4 2.4 5.8
67 5 1 -6 29.845 59.691 1.79733 213.6 11.3 11.0 5.8
68 6 0 -6 29.936 59.872 1.79238 64.6 3.4 3.3 5.8
69 4 2 -5 30.042 60.085 1.78663 70.4 3.7 3.6 5.8
70 6 2 -3 30.097 60.193 1.78372 121.7 6.5 6.3 5.8
71 6 2 -1 30.276 60.552 1.77413 181.4 9.6 9.3 5.8
72 3 3 -1 30.569 61.137 1.75877 29.6 1.6 1.5 5.8
73 6 0 2 30.653 61.306 1.75441 130.0 6.9 6.7 5.8
74 4 0 4 30.688 61.377 1.75258 122.2 6.5 6.3 5.8
75 8 0 -3 30.821 61.643 1.74576 244.9 13.0 12.6 5.8
76 3 3 -2 30.96 61.92 1.73872 24.8 1.3 1.3 5.8
77 0 2 5 31.021 62.041 1.73565 59.7 3.2 3.1 5.8
78 8 0 -2 31.084 62.168 1.73247 70.4 3.7 3.6 5.8
79 6 2 -4 31.316 62.631 1.72094 59.8 3.2 3.1 5.8
80 4 0 -7 31.627 63.254 1.70572 44.3 2.3 2.3 5.9
81 6 2 0 31.666 63.332 1.70384 38.1 2.0 2.0 5.9
82 3 3 -3 32.203 64.406 1.67841 305.5 16.2 15.6 5.9
83 3 3 1 32.376 64.752 1.67041 260.5 13.8 13.3 5.9
84 4 2 3 32.806 65.611 1.65093 67.6 3.6 3.5 5.9
85 8 0 -5 32.867 65.734 1.64819 39.4 2.1 2.0 5.9
86 3 1 -7 33.084 66.167 1.63862 214.4 11.4 10.9 5.9
87 6 2 -5 33.347 66.695 1.62714 81.7 4.3 4.2 5.9
88 7 1 1 33.526 67.052 1.61947 134.0 7.1 6.8 5.9
89 3 1 5 33.594 67.187 1.6166 209.7 11.1 10.7 5.9
90 7 1 -6 33.803 67.607 1.60775 46.3 2.5 2.4 5.9
91 6 2 1 33.855 67.711 1.60557 62.8 3.3 3.2 5.9
92 5 1 -7 33.902 67.804 1.60362 57.2 3.0 2.9 5.9
93 3 3 2 34.5 69.0 1.57918 25.2 1.3 1.3 5.9
94 5 3 -2 34.732 69.464 1.56995 52.8 2.8 2.7 5.9
95 0 0 7 34.901 69.802 1.56329 43.9 2.3 2.2 5.9
96 8 0 -6 35.096 70.191 1.55574 31.1 1.6 1.6 5.9
97 2 2 5 35.187 70.374 1.55221 39.5 2.1 2.0 5.9
98 0 2 6 35.612 71.225 1.53608 46.5 2.5 2.4 5.9
99 4 0 -8 36.659 73.319 1.49812 46.4 2.5 2.3 6.0
100 7 1 2 36.742 73.485 1.49521 22.2 1.2 1.1 6.0
101 4 2 4 36.812 73.624 1.49278 63.7 3.4 3.2 6.0
102 9 1 -4 36.95 73.901 1.48798 21.8 1.2 1.1 6.0
103 3 3 -5 37.038 74.076 1.48497 43.9 2.3 2.2 6.0
104 7 1 -7 37.085 74.17 1.48336 60.0 3.2 3.0 6.0
105 9 1 -2 37.194 74.387 1.47964 24.9 1.3 1.3 6.0
106 3 3 3 37.362 74.724 1.47394 45.1 2.4 2.3 6.0
107 2 2 -7 38.06 76.121 1.45089 127.0 6.7 6.4 6.0
108 8 2 -1 38.205 76.41 1.44622 112.8 6.0 5.6 6.0
109 1 1 7 38.628 77.255 1.43284 43.9 2.3 2.2 6.0
110 8 2 -5 38.826 77.651 1.42668 139.3 7.4 7.0 6.0
111 3 1 6 38.861 77.722 1.42558 24.0 1.3 1.2 6.0
112 0 4 0 38.893 77.786 1.4246 286.6 15.2 14.3 6.0
113 6 2 -7 39.603 79.206 1.40316 35.6 1.9 1.8 6.0
114 5 3 2 40.293 80.587 1.38311 46.3 2.5 2.3 6.1
115 6 2 3 40.395 80.791 1.38022 122.5 6.5 6.1 6.1
116 9 1 0 40.569 81.138 1.37533 39.6 2.1 2.0 6.1
117 7 3 -2 40.623 81.246 1.37381 44.3 2.3 2.2 6.1
118 7 3 -3 40.66 81.32 1.37278 72.3 3.8 3.6 6.1
119 0 0 8 40.836 81.673 1.36788 101.3 5.4 5.0 6.1
120 8 2 -6 40.925 81.849 1.36545 68.7 3.6 3.4 6.1
121 7 1 -8 41.037 82.074 1.36237 34.9 1.9 1.7 6.1
122 7 3 -4 41.47 82.939 1.35069 28.0 1.5 1.4 6.1
123 1 3 -6 41.502 83.004 1.34984 46.7 2.5 2.3 6.1
124 5 3 -6 41.829 83.659 1.34119 96.0 5.1 4.7 6.1
125 10 0 -6 42.212 84.424 1.33128 43.4 2.3 2.1 6.1
126 8 2 1 42.557 85.114 1.32253 36.9 2.0 1.8 6.1
127 4 4 0 43.447 86.893 1.3007 56.7 3.0 2.8 6.1
128 4 4 -3 43.674 87.347 1.29529 55.2 2.9 2.7 6.2
129 8 2 -7 43.769 87.537 1.29304 122.9 6.5 6.0 6.2
130 3 1 -9 44.064 88.129 1.28613 39.2 2.1 1.9 6.2
131 3 3 -7 44.718 89.436 1.27123 215.0 11.4 10.4 6.2
132 4 4 1 44.903 89.806 1.26711 28.5 1.5 1.4 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)
|