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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ZANGBOITE
1
TiFeSi(2)
Orthorhombic P bam Z = 12
Pbam
10 .4 .14
Ref.Str.:
Li G., Fang Q., Shi N., Bai W., Yang J., Xiong M., Ma Z., Rong H. (2009)
* Canad. Mineral., 47, 1265-1274
R: from Luobusha, Tibet, China.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.6053 alpha = 90.0
b = 9.5211 beta = 90.0
c = 7.6436 gamma = 90.0
Unit cell volume (cub. angs.) = 626.25
Molar volume ( cub.cm/mol.) = 31.43
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.7426 0.0 Fe = 1.00
2 0.9113 0.2429 0.7482 0.0 Fe = 1.00
3 0.3272 0.5478 0.7382 0.0 Ti = 1.00
4 0.1675 0.3205 0.5 0.0 Ti = 1.00
5 0.1273 0.6043 0.5 0.0 Si = 1.00
6 0.1238 0.5973 0.0 0.0 Si = 1.00
7 0.9616 0.1193 0.5 0.0 Si = 1.00
8 0.663 0.1816 0.8465 0.0 Si = 1.00
9 0.961 0.1213 0.0 0.0 Si = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.7426
2 2 0.9113 0.2429 0.7482
3 3 0.3272 0.5478 0.7382
4 4 0.1675 0.3205 0.5
5 5 0.1273 0.6043 0.5
6 6 0.1238 0.5973 0.0
7 7 0.9616 0.1193 0.5
8 8 0.663 0.1816 0.8465
9 9 0.961 0.1213 0.0
10 2 0.0887 0.7571 0.7482
11 3 0.6728 0.4522 0.7382
12 4 0.8325 0.6795 0.5
13 5 0.8727 0.3957 0.5
14 6 0.8762 0.4027 0.0
15 7 0.0384 0.8807 0.5
16 8 0.337 0.8184 0.8465
17 9 0.039 0.8787 0.0
18 1 0.5 0.0 0.7426
19 2 0.5887 0.7429 0.7482
20 3 0.1728 0.0478 0.7382
21 4 0.3325 0.8205 0.5
22 5 0.3727 0.1043 0.5
23 6 0.3762 0.0973 0.0
24 7 0.5384 0.6193 0.5
25 8 0.837 0.6816 0.8465
26 9 0.539 0.6213 0.0
27 2 0.4113 0.2571 0.7482
28 3 0.8272 0.9522 0.7382
29 4 0.6675 0.1795 0.5
30 5 0.6273 0.8957 0.5
31 6 0.6238 0.9027 0.0
32 7 0.4616 0.3807 0.5
33 8 0.163 0.3184 0.8465
34 9 0.461 0.3787 0.0
35 1 0.0 0.5 0.2574
36 2 0.9113 0.2429 0.2518
37 3 0.3272 0.5478 0.2618
38 8 0.663 0.1816 0.1535
39 2 0.0887 0.7571 0.2518
40 3 0.6728 0.4522 0.2618
41 8 0.337 0.8184 0.1535
42 1 0.5 0.0 0.2574
43 2 0.5887 0.7429 0.2518
44 3 0.1728 0.0478 0.2618
45 8 0.837 0.6816 0.1535
46 2 0.4113 0.2571 0.2518
47 3 0.8272 0.9522 0.2618
48 8 0.163 0.3184 0.1535
X-ray density (g/cm cub.) = 5.09
MU (1/cm) = 729.767 Mass attenuation coefficient (cm**2/g) = 143.465
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.568 6
2.3712 5
2.4215 6
2.3712 5
2.4215 6
2.3635 8
2.3635 8
2 Fe 2.568 6
2.2745 7
2.3394 8
2.2863 9
2.4139 5
2.4715 6
2.4018 8
3 Ti 2.544 0
4 Ti 2.544 0
5 Si 3.216 2
2.9561 5
2.7407 7
6 Si 3.216 8
2.8228 6
3.0296 8
2.777 9
2.8476 8
2.9224 8
3.0296 8
2.8476 8
2.9224 8
7 Si 3.216 2
2.7407 5
2.366 7
8 Si 3.216 6
2.8787 9
3.0296 6
2.8476 6
2.9224 6
2.8138 9
2.347 8
9 Si 3.216 6
2.8787 8
2.777 6
2.4053 9
2.8138 8
2.8787 8
2.8138 8
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 6.72 13.44 0.065 143.09 2 42.2 130.1
2 1 1 0 8.054 16.108 0.078 98.94 4 43.6 192.1
3 1 1 1 10.518 21.036 0.102 57.11 8 1.8 0.4
4 0 2 0 10.83 21.659 0.105 53.75 2 43.2 51.2
5 2 0 0 11.998 23.997 0.116 43.4 2 89.4 177.0
6 1 2 0 12.399 24.799 0.12 40.51 4 3.7 0.6
7 0 2 1 12.788 25.577 0.124 37.96 4 4.1 0.7
8 2 1 0 13.187 26.374 0.128 35.58 4 78.8 225.4
9 0 0 2 13.535 27.07 0.131 33.67 2 192.8 638.4
10 2 0 1 13.802 27.603 0.133 32.3 4 16.5 9.0
11 1 2 1 14.155 28.31 0.137 30.61 8 9.0 5.0
12 2 1 1 14.856 29.712 0.143 27.61 8 15.0 12.6
13 1 1 2 15.829 31.659 0.152 24.09 8 21.6 22.9
14 2 2 0 16.273 32.546 0.157 22.69 4 2.3 0.1
15 0 2 2 17.465 34.931 0.168 19.46 4 21.5 9.2
16 1 3 0 17.481 34.962 0.168 19.42 4 22.9 10.4
17 2 2 1 17.678 35.356 0.17 18.95 8 6.6 1.7
18 2 0 2 18.242 36.485 0.175 17.69 4 31.4 17.8
19 1 2 2 18.519 37.038 0.178 17.11 8 49.7 86.4
20 1 3 1 18.807 37.614 0.18 16.54 8 12.4 5.2
21 3 1 0 19.006 38.013 0.182 16.16 4 57.9 55.3
22 2 1 2 19.076 38.153 0.183 16.03 8 71.9 169.0
23 3 1 1 20.246 40.493 0.193 14.05 8 2.5 0.2
24 2 3 0 20.5 41.0 0.196 13.66 4 93.2 121.0
25 0 0 3 20.552 41.105 0.196 13.59 2 95.0 62.5
26 3 2 0 21.35 42.7 0.204 12.48 4 25.5 8.3
27 2 2 2 21.413 42.827 0.204 12.39 8 65.7 109.2
28 2 3 1 21.669 43.338 0.206 12.07 8 6.7 1.1
29 0 4 0 22.073 44.145 0.21 11.58 2 118.2 82.5
30 1 1 3 22.209 44.418 0.211 11.42 8 29.4 20.1
31 1 3 2 22.383 44.767 0.213 11.22 8 46.8 50.1
32 3 2 1 22.483 44.965 0.214 11.11 8 1.6 0.1
33 1 4 0 22.948 45.895 0.218 10.6 4 260.9 736.2
34 0 4 1 23.177 46.355 0.22 10.37 4 1.0 0.0
35 0 2 3 23.464 46.929 0.223 10.08 4 116.1 138.7
36 3 1 2 23.644 47.287 0.224 9.91 8 290.4 1705.2
37 1 4 1 24.021 48.042 0.228 9.56 8 20.2 7.9
38 2 0 3 24.079 48.158 0.228 9.51 4 62.8 38.3
39 1 2 3 24.301 48.601 0.23 9.31 8 98.6 184.5
40 4 0 0 24.568 49.136 0.232 9.08 2 163.5 123.8
41 2 1 3 24.751 49.502 0.234 8.93 8 100.8 185.0
42 3 3 0 24.855 49.709 0.235 8.85 4 327.0 964.7
43 2 3 2 24.911 49.823 0.235 8.8 8 311.3 1740.2
44 4 1 0 25.23 50.46 0.238 8.55 4 292.6 746.4
45 2 4 0 25.433 50.865 0.24 8.4 4 63.5 34.5
46 4 0 1 25.59 51.18 0.241 8.28 4 5.1 0.2
47 3 2 2 25.645 51.291 0.242 8.24 8 23.0 8.9
48 3 3 1 25.868 51.737 0.244 8.08 8 30.1 15.0
49 4 1 1 26.233 52.466 0.247 7.82 8 17.7 5.0
50 0 4 2 26.276 52.553 0.247 7.79 4 397.4 1255.7
51 2 4 1 26.43 52.86 0.249 7.69 8 6.9 0.8
52 2 2 3 26.691 53.382 0.251 7.52 8 43.5 29.1
53 1 4 2 27.048 54.097 0.254 7.3 8 53.1 42.0
54 4 2 0 27.146 54.291 0.255 7.24 4 152.5 171.7
55 1 3 3 27.519 55.038 0.258 7.02 8 68.6 67.4
56 0 0 4 27.91 55.82 0.262 6.79 2 467.0 755.6
57 4 2 1 28.101 56.201 0.263 6.69 8 7.6 0.8
58 4 0 2 28.497 56.995 0.267 6.48 4 13.2 1.2
59 3 1 3 28.611 57.222 0.268 6.42 8 86.6 98.2
60 3 3 2 28.756 57.513 0.269 6.35 8 57.1 42.2
61 1 5 0 28.756 57.513 0.269 6.35 4 98.5 62.8
62 4 1 2 29.096 58.193 0.272 6.18 8 77.4 75.6
63 3 4 0 29.23 58.459 0.273 6.12 4 38.7 9.3
64 1 1 4 29.249 58.497 0.273 6.11 8 7.7 0.7
65 2 4 2 29.28 58.561 0.273 6.1 8 164.2 335.3
66 1 5 1 29.677 59.355 0.277 5.92 8 9.6 1.1
67 2 3 3 29.727 59.455 0.277 5.89 8 46.3 25.8
68 3 4 1 30.141 60.283 0.281 5.71 8 9.5 1.1
69 4 3 0 30.152 60.303 0.281 5.71 4 13.5 1.1
70 0 2 4 30.291 60.581 0.282 5.65 4 39.3 8.9
71 3 2 3 30.381 60.763 0.283 5.61 8 1.4 0.0
72 2 0 4 30.808 61.617 0.286 5.44 4 124.0 85.3
73 4 2 2 30.849 61.698 0.287 5.43 8 130.3 188.0
74 2 5 0 30.909 61.817 0.287 5.4 4 71.4 28.1
75 0 4 3 30.947 61.895 0.287 5.39 4 46.3 11.8
76 1 2 4 30.996 61.993 0.288 5.37 8 70.7 54.8
77 4 3 1 31.047 62.094 0.288 5.35 8 0.3 0.0
78 2 1 4 31.38 62.76 0.291 5.22 8 156.6 261.3
79 1 4 3 31.645 63.29 0.293 5.13 8 76.5 61.2
80 2 5 1 31.792 63.583 0.294 5.08 8 2.3 0.1
81 5 1 0 31.88 63.759 0.295 5.05 4 24.8 3.2
82 1 5 2 32.344 64.687 0.299 4.89 8 22.3 5.0
83 5 1 1 32.748 65.496 0.302 4.76 8 6.0 0.4
84 3 4 2 32.786 65.572 0.303 4.75 8 6.5 0.4
85 4 0 3 32.967 65.935 0.304 4.69 4 59.7 17.1
86 2 2 4 33.062 66.124 0.305 4.67 8 34.2 11.1
87 3 3 3 33.205 66.411 0.306 4.62 8 90.7 77.6
88 4 1 3 33.519 67.038 0.309 4.53 8 75.9 53.3
89 5 2 0 33.548 67.096 0.309 4.52 4 74.1 25.3
90 4 3 2 33.652 67.303 0.31 4.49 8 63.0 36.4
91 2 4 3 33.689 67.378 0.31 4.48 8 4.4 0.2
92 1 3 4 33.792 67.584 0.311 4.46 8 75.9 52.4
93 4 4 0 34.085 68.17 0.313 4.38 4 0.3 0.0
94 0 6 0 34.31 68.62 0.315 4.32 2 45.9 4.6
95 3 5 0 34.32 68.639 0.315 4.31 4 64.6 18.4
96 2 5 2 34.366 68.732 0.316 4.3 8 34.6 10.5
97 5 2 1 34.395 68.789 0.316 4.29 8 2.3 0.0
98 3 1 4 34.766 69.533 0.319 4.2 8 83.0 59.0
99 4 4 1 34.926 69.851 0.32 4.16 8 5.9 0.3
100 1 6 0 34.972 69.944 0.32 4.15 4 7.4 0.2
101 4 2 3 35.148 70.295 0.322 4.11 8 37.1 11.5
102 0 6 1 35.148 70.296 0.322 4.11 4 16.6 1.2
103 3 5 1 35.157 70.315 0.322 4.11 8 4.0 0.1
104 5 1 2 35.287 70.574 0.323 4.08 8 51.0 21.6
105 2 3 4 35.774 71.549 0.327 3.97 8 93.9 71.3
106 1 6 1 35.803 71.606 0.327 3.96 8 2.7 0.1
107 0 0 5 35.81 71.621 0.327 3.96 2 101.1 20.6
108 5 3 0 36.243 72.486 0.33 3.87 4 14.1 0.8
109 3 2 4 36.37 72.739 0.331 3.84 8 14.1 1.5
110 1 5 3 36.552 73.105 0.333 3.81 8 40.7 12.8
111 5 2 2 36.881 73.761 0.335 3.74 8 39.2 11.7
112 0 4 4 36.889 73.777 0.336 3.74 4 102.3 39.9
113 2 6 0 36.926 73.852 0.336 3.73 4 34.0 4.4
114 3 4 3 36.971 73.942 0.336 3.73 8 0.1 0.0
115 1 1 5 36.988 73.976 0.336 3.72 8 6.0 0.3
116 5 3 1 37.062 74.125 0.337 3.71 8 9.6 0.7
117 4 4 2 37.397 74.794 0.339 3.65 8 44.4 14.7
118 1 4 4 37.531 75.062 0.341 3.62 8 113.5 95.3
119 0 6 2 37.613 75.226 0.341 3.61 4 44.5 7.3
120 3 5 2 37.622 75.245 0.341 3.61 8 10.3 0.8
121 2 6 1 37.74 75.479 0.342 3.59 8 5.9 0.3
122 4 3 3 37.793 75.587 0.343 3.58 8 38.4 10.8
123 0 2 5 37.918 75.836 0.344 3.56 4 8.6 0.3
124 1 6 2 38.252 76.503 0.346 3.5 8 86.5 53.5
125 2 0 5 38.385 76.769 0.347 3.48 4 25.2 2.3
126 2 5 3 38.475 76.95 0.348 3.47 8 61.9 27.1
127 1 2 5 38.555 77.109 0.348 3.46 8 9.6 0.6
128 6 0 0 38.584 77.167 0.349 3.45 2 151.8 40.6
129 4 0 4 38.761 77.522 0.35 3.42 4 70.5 17.4
130 4 5 0 38.851 77.703 0.351 3.41 4 100.2 35.0
131 2 1 5 38.903 77.806 0.351 3.4 8 33.2 7.7
132 3 3 4 38.984 77.968 0.352 3.39 8 159.8 176.6
133 6 1 0 39.101 78.203 0.353 3.37 4 18.6 1.2
134 4 1 4 39.278 78.556 0.354 3.35 8 158.0 170.6
135 5 1 3 39.359 78.717 0.354 3.34 8 27.0 5.0
136 6 0 1 39.386 78.772 0.355 3.34 4 25.9 2.3
137 2 4 4 39.438 78.875 0.355 3.33 8 41.4 11.7
138 5 3 2 39.483 78.967 0.355 3.32 8 4.5 0.1
139 4 5 1 39.652 79.304 0.357 3.3 8 0.2 0.0
140 5 4 0 39.892 79.783 0.359 3.27 4 184.7 113.7
141 6 1 1 39.901 79.801 0.359 3.27 8 7.8 0.4
142 3 6 0 40.104 80.208 0.36 3.24 4 29.6 2.9
143 2 6 2 40.148 80.295 0.36 3.24 8 42.7 12.0
144 2 2 5 40.447 80.894 0.363 3.2 8 8.3 0.5
145 6 2 0 40.643 81.286 0.364 3.18 4 181.8 107.2
146 5 4 1 40.687 81.374 0.364 3.17 8 11.9 0.9
147 4 2 4 40.818 81.636 0.365 3.16 8 84.6 46.1
148 5 2 3 40.898 81.796 0.366 3.15 8 77.6 38.7
149 3 6 1 40.898 81.796 0.366 3.15 8 3.5 0.1
150 1 3 5 41.125 82.251 0.368 3.12 8 17.6 2.0
151 4 4 3 41.399 82.799 0.37 3.1 8 9.0 0.5
152 6 2 1 41.435 82.871 0.37 3.09 8 3.8 0.1
153 0 6 3 41.61 83.22 0.371 3.08 4 92.5 26.9
154 3 5 3 41.619 83.238 0.371 3.07 8 92.5 53.7
155 1 7 0 41.742 83.484 0.372 3.06 4 61.9 12.0
156 6 0 2 41.769 83.538 0.372 3.06 4 1.0 0.0
157 4 5 2 42.032 84.063 0.374 3.04 8 217.3 292.5
158 3 1 5 42.039 84.078 0.374 3.03 8 27.2 4.6
159 1 5 4 42.162 84.324 0.375 3.02 8 35.7 7.9
160 1 6 3 42.232 84.465 0.376 3.02 8 66.3 27.1
161 6 1 2 42.277 84.554 0.376 3.01 8 30.8 5.8
162 1 7 1 42.531 85.061 0.378 2.99 8 14.4 1.3
163 3 4 4 42.565 85.13 0.378 2.99 8 26.3 4.2
164 2 3 5 42.993 85.985 0.381 2.95 8 20.2 2.5
165 5 4 2 43.056 86.111 0.382 2.95 8 6.3 0.2
166 6 3 0 43.187 86.374 0.383 2.94 4 6.0 0.1
167 3 6 2 43.265 86.53 0.383 2.93 8 54.7 17.9
168 4 3 4 43.36 86.721 0.384 2.93 8 10.4 0.6
169 5 3 3 43.44 86.879 0.384 2.92 8 41.9 10.5
170 3 2 5 43.56 87.121 0.385 2.91 8 2.3 0.0
171 2 7 0 43.606 87.211 0.386 2.91 4 329.6 322.4
172 6 2 2 43.798 87.596 0.387 2.9 8 252.2 376.0
173 6 3 1 43.973 87.945 0.388 2.89 8 2.6 0.0
174 2 5 4 44.023 88.047 0.388 2.88 8 13.0 1.0
175 0 4 5 44.058 88.115 0.389 2.88 4 20.2 1.2
176 2 6 3 44.094 88.187 0.389 2.88 8 51.8 15.7
177 2 7 1 44.391 88.782 0.391 2.86 8 17.4 1.8
178 4 6 0 44.461 88.922 0.392 2.86 4 122.4 43.7
179 5 5 0 44.47 88.939 0.392 2.86 4 169.6 83.8
180 0 0 6 44.598 89.195 0.392 2.85 2 33.8 1.7
181 1 4 5 44.677 89.354 0.393 2.85 8 55.9 18.2
182 5 1 4 44.887 89.774 0.394 2.83 8 37.7 8.2
183 1 7 2 44.888 89.775 0.394 2.83 8 146.7 124.4
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 6.72 13.44 7.6436 130.1 7.5 7.7 5.6
2 1 1 0 8.054 16.108 6.38415 192.1 11.0 11.4 5.6
3 0 2 0 10.83 21.659 4.76055 51.2 2.9 3.0 5.6
4 2 0 0 11.998 23.997 4.30265 177.0 10.2 10.4 5.6
5 2 1 0 13.187 26.374 3.92088 225.4 13.0 13.3 5.6
6 0 0 2 13.535 27.07 3.8218 638.4 36.7 37.5 5.6
7 1 1 2 15.829 31.659 3.27913 22.9 1.3 1.3 5.6
8 1 3 0 17.481 34.962 2.97765 19.6 1.1 1.1 5.7
9 2 0 2 18.242 36.485 2.85736 17.8 1.0 1.0 5.7
10 1 2 2 18.519 37.038 2.81614 86.4 5.0 5.0 5.7
11 3 1 0 19.006 38.013 2.7465 55.3 3.2 3.2 5.7
12 2 1 2 19.076 38.153 2.73678 169.0 9.7 9.8 5.7
13 2 3 0 20.5 41.0 2.55406 121.0 7.0 7.0 5.7
14 0 0 3 20.552 41.105 2.54787 62.5 3.6 3.6 5.7
15 2 2 2 21.413 42.827 2.44994 109.2 6.3 6.3 5.7
16 0 4 0 22.073 44.145 2.38028 82.5 4.7 4.8 5.7
17 1 1 3 22.209 44.418 2.36637 20.1 1.2 1.2 5.7
18 1 3 2 22.383 44.767 2.34888 50.1 2.9 2.9 5.7
19 1 4 0 22.948 45.895 2.29413 736.2 42.3 42.5 5.7
20 0 2 3 23.464 46.929 2.24637 138.7 8.0 8.0 5.7
21 3 1 2 23.644 47.287 2.23031 1705.2 98.0 98.3 5.7
22 2 0 3 24.079 48.158 2.19232 38.3 2.2 2.2 5.7
23 1 2 3 24.301 48.601 2.17353 184.5 10.6 10.6 5.7
24 4 0 0 24.568 49.136 2.15132 123.8 7.1 7.1 5.7
25 2 1 3 24.751 49.502 2.13642 185.0 10.6 10.6 5.7
26 3 3 0 24.855 49.709 2.12805 964.7 55.4 55.4 5.7
27 2 3 2 24.911 49.823 2.12352 1740.2 100.0 100.0 5.7
28 4 1 0 25.23 50.46 2.09842 746.4 42.9 42.9 5.8
29 2 4 0 25.433 50.865 2.0828 34.5 2.0 2.0 5.8
30 0 4 2 26.276 52.553 2.02045 1255.7 72.2 71.9 5.8
31 2 2 3 26.691 53.382 1.99131 29.1 1.7 1.7 5.8
32 1 4 2 27.048 54.097 1.96696 42.0 2.4 2.4 5.8
33 4 2 0 27.146 54.291 1.96044 171.7 9.9 9.8 5.8
34 1 3 3 27.519 55.038 1.9359 67.4 3.9 3.8 5.8
35 0 0 4 27.91 55.82 1.9109 755.6 43.4 43.1 5.8
36 3 1 3 28.611 57.222 1.86789 98.2 5.6 5.6 5.8
37 1 5 0 28.756 57.513 1.85924 105.0 6.0 6.0 5.8
38 4 1 2 29.096 58.193 1.8394 75.6 4.3 4.3 5.8
39 2 4 2 29.28 58.561 1.82885 335.3 19.3 19.0 5.8
40 2 3 3 29.727 59.455 1.8038 25.8 1.5 1.5 5.8
41 2 0 4 30.808 61.617 1.74641 85.3 4.9 4.8 5.8
42 4 2 2 30.849 61.698 1.74433 188.0 10.8 10.6 5.8
43 2 5 0 30.909 61.817 1.74131 28.1 1.6 1.6 5.8
44 1 2 4 30.996 61.993 1.73687 54.8 3.1 3.1 5.8
45 2 1 4 31.38 62.76 1.71775 261.3 15.0 14.8 5.9
46 1 4 3 31.645 63.29 1.70486 61.2 3.5 3.5 5.9
47 3 3 3 33.205 66.411 1.63329 77.6 4.5 4.4 5.9
48 4 1 3 33.519 67.038 1.61978 78.6 4.5 4.4 5.9
49 4 3 2 33.652 67.303 1.61414 36.4 2.1 2.0 5.9
50 1 3 4 33.792 67.584 1.60822 52.4 3.0 2.9 5.9
51 3 5 0 34.32 68.639 1.58646 23.0 1.3 1.3 5.9
52 3 1 4 34.766 69.533 1.56859 59.0 3.4 3.3 5.9
53 5 1 2 35.287 70.574 1.54839 21.6 1.2 1.2 5.9
54 2 3 4 35.774 71.549 1.53006 71.4 4.1 4.0 5.9
55 0 0 5 35.81 71.621 1.52872 20.6 1.2 1.1 5.9
56 0 4 4 36.889 73.777 1.49012 51.6 3.0 2.9 6.0
57 1 4 4 37.531 75.062 1.46827 95.3 5.5 5.3 6.0
58 1 6 2 38.252 76.503 1.44474 53.5 3.1 2.9 6.0
59 2 5 3 38.475 76.95 1.43763 27.1 1.6 1.5 6.0
60 6 0 0 38.584 77.167 1.43422 40.6 2.3 2.2 6.0
61 4 5 0 38.851 77.703 1.42588 35.0 2.0 1.9 6.0
62 3 3 4 38.984 77.968 1.4218 176.6 10.1 9.7 6.0
63 4 1 4 39.278 78.556 1.41286 170.6 9.8 9.4 6.0
64 5 4 0 39.892 79.783 1.39468 114.2 6.6 6.2 6.0
65 6 2 0 40.643 81.286 1.37325 107.2 6.2 5.8 6.1
66 4 2 4 40.818 81.636 1.36839 46.1 2.6 2.5 6.1
67 5 2 3 40.898 81.796 1.36618 38.8 2.2 2.1 6.1
68 3 5 3 41.619 83.238 1.34673 80.5 4.6 4.4 6.1
69 4 5 2 42.032 84.063 1.33593 297.1 17.1 16.1 6.1
70 1 6 3 42.232 84.465 1.33076 27.1 1.6 1.5 6.1
71 3 6 2 43.265 86.53 1.30507 17.9 1.0 1.0 6.1
72 2 7 0 43.606 87.211 1.2969 322.4 18.5 17.3 6.2
73 6 2 2 43.798 87.596 1.29235 376.0 21.6 20.2 6.2
74 5 5 0 44.47 88.939 1.27683 127.5 7.3 6.8 6.2
75 1 4 5 44.677 89.354 1.27215 18.2 1.0 1.0 6.2
76 1 7 2 44.888 89.775 1.26745 132.6 7.6 7.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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