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 ***
***********************
GARTRELLITE
1, f-tsumcorite
PbFeCu[VO(4)](2)[OH,H(2)O](2)
Triclinic P 1(-) Z = 1
R =0.053
20 .10 .1998
Ref.Str.:
Krause W., Belendorff K., Effenberger H. et al. (1998)
* Eur. J. Mineral., 10, 179-206
Reserv:
N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.431 alpha = 67.62
b = 5.642 beta = 69.57
c = 7.753 gamma = 70.31
Unit cell volume (cub. angs.) = 200.07
Molar volume ( cub.cm/mol.) = 120.51
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.07 Pb = 1.00
2 0.0 0.5 0.5 1.4 Fe = 1.00
3 0.5 0.0 0.5 1.4 Cu = 1.00
4 0.41 0.4347 0.792 1.0 As = 1.00
5 0.141 0.171 0.4198 0.62 O = 1.00
6 0.284 0.306 0.6702 0.62 O = 1.00
7 0.251 0.685 0.2815 0.62 O = 1.00
8 0.686 0.23 0.2723 0.62 O = 1.00
9 0.261 0.275 0.0366 0.62 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.5 0.5
3 3 0.5 0.0 0.5
4 4 0.41 0.4347 0.792
5 5 0.141 0.171 0.4198
6 6 0.284 0.306 0.6702
7 7 0.251 0.685 0.2815
8 8 0.686 0.23 0.2723
9 9 0.261 0.275 0.0366
10 4 0.59 0.5653 0.208
11 5 0.859 0.829 0.5802
12 6 0.716 0.694 0.3298
13 7 0.749 0.315 0.7185
14 8 0.314 0.77 0.7277
15 9 0.739 0.725 0.9634
X-ray density (g/cm cub.) = 5.28
MU (1/cm) = 824.47 Mass attenuation coefficient (cm**2/g) = 156.132
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.144 8
2.7527 6
2.6964 7
2.6703 8
2.5681 9
2.7527 6
2.6964 7
2.6703 8
2.5681 9
2 Fe 2.592 6
2.0018 5
2.1217 6
1.9539 7
2.0018 5
2.1217 6
1.9539 7
3 Cu 2.808 6
2.0593 5
2.3211 6
1.9274 8
2.0593 5
2.3211 6
1.9274 8
4 As 2.46 4
1.7876 6
1.7838 9
1.701 7
1.7023 8
5 O 3.264 10
2.744 6
2.8756 7
3.1166 7
2.8619 8
2.9417 8
2.6784 9
2.5397 5
3.0803 6
2.7168 7
2.7786 8
6 O 3.264 9
2.744 5
2.9829 7
3.1846 8
2.7394 9
3.0803 5
2.6985 7
2.7822 7
2.8819 8
2.8395 8
7 O 3.264 9
3.1166 5
2.8756 5
2.9829 6
2.8481 8
3.1505 9
2.7168 5
2.6984 6
2.7822 6
2.9281 9
8 O 3.264 9
2.9417 5
2.8619 5
3.1846 6
2.8481 7
3.0582 9
2.7786 5
2.8819 6
2.8395 6
2.9301 9
9 O 3.264 7
2.6784 5
2.7394 6
3.1505 7
3.0582 8
2.9281 7
2.9301 8
3.1593 9
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 7.411 14.822 0.072 117.26 2 32.6 621.0
2 0 1 0 10.161 20.321 0.099 61.35 2 21.8 146.0
3 1 0 0 10.418 20.837 0.101 58.25 2 22.1 141.6
4 0 1 1 10.655 21.31 0.103 55.6 2 78.6 1714.6
5 1 0 1 11.167 22.334 0.108 50.43 2 94.8 2262.2
6 1 1 1 11.542 23.084 0.112 47.07 2 80.8 1534.7
7 1 1 0 12.762 25.524 0.123 38.12 2 53.8 550.6
8 -1 0 1 14.319 28.638 0.138 29.87 2 28.6 122.4
9 0 -1 1 14.338 28.677 0.138 29.78 2 29.1 126.1
10 1 1 2 14.717 29.435 0.142 28.17 2 40.3 228.1
11 0 0 2 14.949 29.899 0.144 27.24 2 60.1 491.4
12 0 1 2 15.4 30.801 0.148 25.56 2 133.0 2259.7
13 1 0 2 15.958 31.916 0.154 23.67 2 127.2 1915.4
14 -1 1 0 16.307 32.615 0.157 22.59 2 94.3 1003.8
15 -1 -1 1 17.541 35.083 0.168 19.28 2 161.5 2511.6
16 -1 1 1 17.828 35.657 0.171 18.6 2 136.5 1732.9
17 1 -1 1 18.168 36.336 0.174 17.85 2 122.8 1346.0
18 1 2 1 18.889 37.777 0.181 16.39 2 127.8 1336.4
19 2 1 1 19.487 38.974 0.186 15.29 2 114.6 1002.8
20 0 2 1 19.731 39.461 0.189 14.88 2 19.8 29.1
21 1 2 2 19.889 39.778 0.19 14.62 2 103.6 784.0
22 1 1 3 20.472 40.944 0.196 13.7 2 97.4 649.2
23 -1 0 2 20.523 41.046 0.196 13.63 2 101.9 707.2
24 2 0 1 20.599 41.198 0.197 13.52 2 29.6 59.2
25 2 1 2 20.615 41.23 0.197 13.49 2 115.2 894.3
26 0 2 0 20.66 41.32 0.197 13.43 2 103.9 723.8
27 0 -1 2 20.688 41.377 0.197 13.39 2 116.7 911.0
28 1 2 0 20.889 41.779 0.199 13.1 2 55.7 203.1
29 2 0 0 21.203 42.405 0.202 12.67 2 91.9 534.6
30 2 1 0 21.294 42.588 0.203 12.55 2 68.5 294.0
31 0 2 2 21.702 43.404 0.207 12.03 2 91.1 498.2
32 0 1 3 21.984 43.968 0.209 11.68 2 59.7 207.8
33 -1 1 2 22.13 44.259 0.211 11.51 2 17.0 16.6
34 1 0 3 22.54 45.08 0.214 11.04 2 63.8 224.7
35 1 -1 2 22.696 45.392 0.216 10.87 2 7.5 3.1
36 0 0 3 22.765 45.53 0.216 10.8 2 19.4 20.3
37 2 0 2 22.789 45.578 0.217 10.77 2 95.5 490.6
38 1 2 3 23.574 47.148 0.224 9.98 2 62.4 193.9
39 2 2 2 23.589 47.177 0.224 9.96 2 71.1 251.4
40 2 2 1 23.658 47.317 0.224 9.9 2 15.8 12.4
41 -1 -1 2 24.055 48.11 0.228 9.53 2 10.4 5.1
42 0 -2 1 24.217 48.435 0.229 9.39 2 88.8 369.8
43 2 1 3 24.344 48.687 0.23 9.27 2 43.6 88.0
44 -2 0 1 24.434 48.868 0.231 9.2 2 87.3 350.4
45 -1 -2 1 25.308 50.617 0.239 8.49 2 38.1 61.7
46 -2 -1 1 25.53 51.06 0.241 8.32 2 31.4 40.9
47 -1 2 0 25.639 51.278 0.242 8.24 2 20.1 16.6
48 -1 2 1 25.736 51.472 0.243 8.17 2 70.3 202.0
49 -2 1 0 25.985 51.971 0.245 7.99 2 52.6 110.5
50 2 2 3 26.025 52.05 0.245 7.97 2 75.4 226.4
51 0 2 3 26.044 52.089 0.245 7.95 2 8.7 3.0
52 2 2 0 26.219 52.439 0.247 7.83 2 104.4 426.4
53 2 -1 1 26.459 52.918 0.249 7.67 2 77.2 228.6
54 2 0 3 27.243 54.487 0.256 7.18 2 16.7 10.0
55 1 1 4 27.512 55.023 0.258 7.02 2 92.6 300.8
56 -1 0 3 27.828 55.656 0.261 6.84 2 122.6 514.1
57 -2 1 1 27.882 55.763 0.261 6.81 2 10.6 3.8
58 1 -2 1 27.915 55.831 0.262 6.79 2 39.9 54.2
59 0 -1 3 28.08 56.161 0.263 6.7 2 107.2 384.8
60 -1 2 2 28.189 56.378 0.264 6.64 2 92.9 286.2
61 -1 1 3 28.203 56.406 0.264 6.64 2 71.3 168.4
62 1 3 2 28.602 57.203 0.268 6.43 2 14.3 6.5
63 1 3 1 28.781 57.562 0.269 6.34 2 64.5 131.6
64 1 -1 3 28.916 57.832 0.27 6.27 2 83.1 216.2
65 1 2 4 29.161 58.322 0.272 6.15 2 22.3 15.3
66 2 -1 2 29.223 58.445 0.273 6.12 2 100.0 306.0
67 0 1 4 29.536 59.072 0.276 5.98 2 39.3 46.3
68 -2 0 2 29.646 59.292 0.277 5.93 2 100.9 301.6
69 0 -2 2 29.689 59.378 0.277 5.91 2 82.7 201.9
70 3 1 1 29.863 59.727 0.278 5.83 2 67.8 133.9
71 3 1 2 29.92 59.839 0.279 5.81 2 28.8 24.1
72 2 1 4 29.943 59.886 0.279 5.8 2 29.4 25.1
73 1 0 4 30.104 60.207 0.28 5.73 2 19.4 10.8
74 0 3 1 30.396 60.791 0.283 5.61 2 102.2 292.6
75 2 2 4 30.537 61.075 0.284 5.55 2 145.2 584.7
76 2 3 2 30.562 61.125 0.284 5.54 2 47.6 62.6
77 1 3 3 30.645 61.29 0.285 5.51 2 154.1 653.3
78 -2 -2 1 30.829 61.658 0.286 5.43 2 48.2 63.0
79 0 3 2 30.996 61.991 0.288 5.37 2 96.2 248.4
80 0 0 4 31.06 62.12 0.288 5.34 2 129.6 448.7
81 1 3 0 31.159 62.318 0.289 5.31 2 13.1 4.5
82 3 2 2 31.302 62.605 0.29 5.25 2 33.4 29.2
83 -1 -2 2 31.412 62.823 0.291 5.21 2 30.3 24.0
84 -2 -1 2 31.493 62.985 0.292 5.18 2 33.9 29.8
85 2 3 1 31.501 63.001 0.292 5.18 2 93.4 226.0
86 -1 -1 3 31.611 63.222 0.293 5.14 2 62.6 100.8
87 3 0 1 31.657 63.315 0.293 5.13 2 112.8 325.8
88 2 3 3 31.779 63.558 0.294 5.08 2 5.5 0.8
89 -2 1 2 31.864 63.729 0.295 5.05 2 83.3 175.3
90 0 3 0 31.953 63.907 0.296 5.02 2 60.2 91.0
91 3 1 0 31.971 63.942 0.296 5.02 2 0.9 0.0
92 0 2 4 32.081 64.163 0.297 4.98 2 125.3 390.7
93 3 2 1 32.117 64.235 0.297 4.97 2 97.9 238.0
94 3 1 3 32.133 64.267 0.297 4.96 2 154.2 589.2
95 1 -2 2 32.228 64.457 0.298 4.93 2 83.7 172.7
96 3 0 2 32.575 65.15 0.301 4.82 2 69.7 116.9
97 3 2 3 32.613 65.227 0.301 4.8 2 22.2 11.8
98 -1 2 3 32.647 65.293 0.302 4.79 2 71.2 121.4
99 3 0 0 32.854 65.708 0.303 4.73 2 67.5 107.6
100 2 0 4 33.358 66.716 0.307 4.58 2 127.2 370.0
101 0 3 3 33.688 67.377 0.31 4.48 2 51.0 58.3
102 2 -1 3 33.922 67.844 0.312 4.42 2 50.4 56.1
103 -2 2 0 34.165 68.331 0.314 4.35 2 165.1 592.9
104 2 3 0 34.496 68.992 0.317 4.27 2 84.7 152.9
105 1 3 4 34.678 69.356 0.318 4.22 2 44.9 42.6
106 -2 2 1 34.972 69.944 0.32 4.15 2 45.7 43.2
107 3 2 0 34.98 69.959 0.32 4.15 2 74.8 116.1
108 2 3 4 35.027 70.054 0.321 4.14 2 45.4 42.6
109 2 -2 1 35.396 70.792 0.324 4.05 2 19.0 7.3
110 -1 -3 1 35.481 70.962 0.324 4.03 2 140.6 398.5
111 0 -3 1 35.513 71.027 0.325 4.03 2 17.2 6.0
112 3 0 3 35.522 71.043 0.325 4.02 2 40.3 32.7
113 1 1 5 35.53 71.06 0.325 4.02 2 99.9 200.7
114 -1 1 4 35.551 71.102 0.325 4.02 2 29.0 16.9
115 3 2 4 35.929 71.857 0.328 3.93 2 34.9 24.0
116 -1 3 1 36.007 72.013 0.329 3.92 2 75.3 111.1
117 -3 -1 1 36.034 72.068 0.329 3.91 2 133.2 346.8
118 -1 0 4 36.043 72.086 0.329 3.91 2 47.9 44.7
119 -3 0 1 36.057 72.114 0.329 3.91 2 32.8 21.0
120 1 2 5 36.162 72.324 0.33 3.89 2 68.1 90.1
121 3 1 4 36.289 72.579 0.331 3.86 2 39.2 29.6
122 -2 0 3 36.362 72.724 0.331 3.84 2 25.9 12.9
123 0 -1 4 36.367 72.734 0.331 3.84 2 51.3 50.6
124 1 -1 4 36.391 72.783 0.332 3.84 2 38.5 28.4
125 3 3 2 36.471 72.941 0.332 3.82 2 52.2 52.0
126 0 -2 3 36.61 73.219 0.333 3.79 2 29.3 16.2
127 2 2 5 36.696 73.393 0.334 3.78 2 3.3 0.2
128 -1 3 0 36.742 73.483 0.334 3.77 2 50.6 48.1
129 3 3 3 36.888 73.776 0.336 3.74 2 115.6 249.8
130 2 1 5 36.968 73.935 0.336 3.73 2 64.1 76.5
131 -2 -2 2 37.07 74.139 0.337 3.71 2 128.9 307.7
132 3 -1 1 37.181 74.362 0.338 3.69 2 51.0 47.9
133 -1 3 2 37.264 74.529 0.338 3.67 2 18.6 6.3
134 -3 1 0 37.494 74.989 0.34 3.63 2 33.4 20.2
135 -2 1 3 37.581 75.163 0.341 3.61 2 102.9 191.2
136 -2 2 2 37.758 75.517 0.342 3.58 2 59.6 63.7
137 0 1 5 38.008 76.016 0.344 3.54 2 11.9 2.5
138 3 3 1 38.034 76.069 0.344 3.54 2 70.0 86.5
139 1 -2 3 38.228 76.456 0.346 3.51 2 107.7 203.3
140 0 3 4 38.257 76.515 0.346 3.5 2 33.5 19.7
141 2 -2 2 38.58 77.161 0.349 3.45 2 49.3 42.0
142 1 0 5 38.614 77.229 0.349 3.45 2 30.1 15.6
143 -1 2 4 38.772 77.544 0.35 3.42 2 35.8 22.0
144 3 -1 2 38.834 77.668 0.351 3.41 2 4.8 0.4
145 -2 -1 3 38.839 77.679 0.351 3.41 2 81.2 112.4
146 -1 -2 3 38.868 77.736 0.351 3.41 2 95.7 156.1
147 3 3 4 39.264 78.528 0.354 3.35 2 14.1 3.3
148 -2 -3 1 39.335 78.669 0.354 3.34 2 29.9 14.9
149 1 -3 1 39.429 78.857 0.355 3.33 2 116.7 226.5
150 0 2 5 39.505 79.01 0.356 3.32 2 47.8 37.9
151 1 4 2 39.515 79.029 0.356 3.32 2 40.3 26.9
152 -3 -2 1 39.694 79.388 0.357 3.29 2 49.5 40.3
153 -3 1 1 39.76 79.52 0.358 3.29 2 121.4 242.0
154 2 3 5 40.094 80.188 0.36 3.24 2 85.9 119.5
155 0 0 5 40.159 80.319 0.361 3.23 2 56.9 52.3
156 -1 -1 4 40.199 80.397 0.361 3.23 2 11.9 2.3
157 2 -1 4 40.269 80.538 0.361 3.22 2 36.7 21.7
158 3 0 4 40.312 80.624 0.362 3.22 2 34.9 19.6
159 2 4 2 40.35 80.7 0.362 3.21 2 119.3 228.4
160 1 3 5 40.449 80.898 0.363 3.2 2 61.7 61.0
161 -1 3 3 40.45 80.9 0.363 3.2 2 70.4 79.2
162 1 4 1 40.458 80.915 0.363 3.2 2 97.7 152.5
163 1 4 3 40.507 81.015 0.363 3.19 2 16.9 4.5
164 2 4 3 40.654 81.308 0.364 3.18 2 72.4 83.1
165 0 -3 2 40.864 81.728 0.366 3.15 2 44.6 31.3
166 2 0 5 40.885 81.77 0.366 3.15 2 37.2 21.8
167 3 2 5 41.057 82.115 0.367 3.13 2 94.3 139.0
168 -3 0 2 41.082 82.164 0.367 3.13 2 12.5 2.4
169 4 1 2 41.497 82.994 0.37 3.09 2 27.2 11.4
170 3 3 0 41.507 83.014 0.37 3.09 2 4.6 0.3
171 -1 -3 2 41.517 83.033 0.371 3.08 2 66.2 67.6
172 -3 -1 2 41.844 83.688 0.373 3.05 2 70.5 75.9
173 4 2 2 41.85 83.701 0.373 3.05 2 122.5 228.7
174 2 4 1 41.971 83.943 0.374 3.04 2 19.2 5.6
175 4 1 1 42.13 84.26 0.375 3.03 2 84.6 108.2
176 3 1 5 42.186 84.373 0.375 3.02 2 52.0 40.9
177 4 2 3 42.353 84.705 0.377 3.01 2 62.0 57.8
178 3 -1 3 42.388 84.776 0.377 3.0 2 87.2 114.2
179 -2 2 3 42.398 84.796 0.377 3.0 2 5.6 0.5
180 0 4 2 42.47 84.939 0.377 3.0 2 52.9 42.0
181 0 4 1 42.721 85.443 0.379 2.98 2 13.2 2.6
182 4 1 3 42.781 85.561 0.38 2.97 2 7.6 0.9
183 2 4 4 42.875 85.75 0.38 2.96 2 62.4 57.6
184 4 2 1 43.262 86.525 0.383 2.93 2 4.8 0.3
185 1 4 0 43.311 86.622 0.383 2.93 2 65.2 62.2
186 1 4 4 43.409 86.818 0.384 2.92 2 28.9 12.2
187 3 3 5 43.514 87.028 0.385 2.92 2 65.7 63.0
188 2 -2 3 43.599 87.198 0.385 2.91 2 28.0 11.4
189 -3 1 2 43.904 87.808 0.388 2.89 2 19.9 5.7
190 1 -3 2 43.978 87.957 0.388 2.89 2 3.8 0.2
191 0 4 3 44.128 88.257 0.389 2.88 2 54.7 42.9
192 -1 1 5 44.201 88.401 0.39 2.87 2 126.7 230.4
193 2 2 6 44.387 88.773 0.391 2.86 2 43.8 27.4
194 -2 0 4 44.52 89.041 0.392 2.85 2 53.5 40.9
195 1 2 6 44.554 89.108 0.392 2.85 2 98.0 136.9
196 3 4 3 44.562 89.125 0.392 2.85 2 46.0 30.2
197 0 3 5 44.566 89.131 0.392 2.85 2 47.0 31.5
198 4 0 1 44.572 89.144 0.392 2.85 2 12.5 2.2
199 4 1 0 44.67 89.341 0.393 2.85 2 85.7 104.4
200 4 0 2 44.721 89.441 0.393 2.84 2 75.6 81.2
201 1 1 6 44.731 89.462 0.393 2.84 2 11.7 1.9
202 4 2 4 44.762 89.525 0.394 2.84 2 50.2 35.7
203 -2 -2 3 44.847 89.695 0.394 2.84 2 29.1 12.0
204 0 4 0 44.881 89.762 0.394 2.83 2 87.5 108.5
205 -2 1 4 44.914 89.829 0.395 2.83 2 64.5 58.9
206 3 4 2 44.94 89.88 0.395 2.83 2 22.7 7.3
207 0 -2 4 44.957 89.914 0.395 2.83 2 66.0 61.5
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 7.411 14.822 6.9347 621.0 24.7 25.1 5.6
2 0 1 0 10.161 20.321 5.07036 146.0 5.8 5.9 5.6
3 1 0 0 10.418 20.837 4.9463 141.6 5.6 5.7 5.6
4 0 1 1 10.655 21.31 4.83776 1714.6 68.3 69.0 5.6
5 1 0 1 11.167 22.334 4.61848 2262.2 90.1 91.0 5.6
6 1 1 1 11.542 23.084 4.47042 1534.7 61.1 61.7 5.6
7 1 1 0 12.762 25.524 4.04908 550.6 21.9 22.1 5.6
8 0 -1 1 14.338 28.677 3.61183 248.5 9.9 9.9 5.6
9 1 1 2 14.717 29.435 3.52079 228.1 9.1 9.1 5.6
10 0 0 2 14.949 29.899 3.46735 491.4 19.6 19.7 5.6
11 0 1 2 15.4 30.801 3.36819 2259.7 90.0 90.3 5.6
12 1 0 2 15.958 31.916 3.25337 1915.4 76.3 76.5 5.6
13 -1 1 0 16.307 32.615 3.1855 1003.8 40.0 40.1 5.6
14 -1 -1 1 17.541 35.083 2.96776 2511.6 100.0 100.0 5.7
15 -1 1 1 17.828 35.657 2.92148 1732.9 69.0 69.0 5.7
16 1 -1 1 18.168 36.336 2.86864 1346.0 53.6 53.5 5.7
17 1 2 1 18.889 37.777 2.763 1336.4 53.2 53.1 5.7
18 2 1 1 19.487 38.974 2.68129 1002.8 39.9 39.8 5.7
19 0 2 1 19.731 39.461 2.64947 29.1 1.2 1.2 5.7
20 1 2 2 19.889 39.778 2.62922 784.0 31.2 31.1 5.7
21 1 1 3 20.472 40.944 2.55744 649.2 25.8 25.7 5.7
22 -1 0 2 20.523 41.046 2.55136 707.2 28.2 28.0 5.7
23 2 1 2 20.615 41.23 2.54047 953.5 38.0 37.7 5.7
24 0 2 0 20.66 41.32 2.53518 723.8 28.8 28.6 5.7
25 0 -1 2 20.688 41.377 2.53183 911.0 36.3 36.1 5.7
26 1 2 0 20.889 41.779 2.50856 203.1 8.1 8.0 5.7
27 2 0 0 21.203 42.405 2.47315 534.6 21.3 21.1 5.7
28 2 1 0 21.294 42.588 2.46305 294.0 11.7 11.6 5.7
29 0 2 2 21.702 43.404 2.41888 498.2 19.8 19.7 5.7
30 0 1 3 21.984 43.968 2.3894 207.8 8.3 8.2 5.7
31 1 0 3 22.54 45.08 2.33339 224.7 8.9 8.9 5.7
32 2 0 2 22.789 45.578 2.30924 510.8 20.3 20.1 5.7
33 2 2 2 23.589 47.177 2.23521 445.3 17.7 17.5 5.7
34 0 -2 1 24.217 48.435 2.18056 369.8 14.7 14.5 5.7
35 2 1 3 24.344 48.687 2.16993 88.0 3.5 3.5 5.7
36 -2 0 1 24.434 48.868 2.1624 350.4 14.0 13.8 5.7
37 -1 -2 1 25.308 50.617 2.09235 61.7 2.5 2.4 5.8
38 -2 -1 1 25.53 51.06 2.07539 40.9 1.6 1.6 5.8
39 -1 2 1 25.736 51.472 2.05991 202.0 8.0 7.9 5.8
40 -2 1 0 25.985 51.971 2.04148 110.5 4.4 4.3 5.8
41 2 2 3 26.025 52.05 2.03859 229.5 9.1 9.0 5.8
42 2 2 0 26.219 52.439 2.02454 426.4 17.0 16.7 5.8
43 2 -1 1 26.459 52.918 2.00752 228.6 9.1 8.9 5.8
44 1 1 4 27.512 55.023 1.93636 300.8 12.0 11.7 5.8
45 -1 0 3 27.828 55.656 1.91607 514.1 20.5 20.0 5.8
46 1 -2 1 27.915 55.831 1.91057 54.2 2.2 2.1 5.8
47 0 -1 3 28.08 56.161 1.90024 384.8 15.3 15.0 5.8
48 -1 2 2 28.189 56.378 1.89351 454.7 18.1 17.7 5.8
49 1 3 1 28.781 57.562 1.8578 131.6 5.2 5.1 5.8
50 1 -1 3 28.916 57.832 1.84985 216.2 8.6 8.4 5.8
51 2 -1 2 29.223 58.445 1.83215 306.0 12.2 11.9 5.8
52 0 1 4 29.536 59.072 1.81443 46.3 1.8 1.8 5.8
53 -2 0 2 29.646 59.292 1.8083 301.6 12.0 11.7 5.8
54 0 -2 2 29.689 59.378 1.80592 201.9 8.0 7.8 5.8
55 3 1 1 29.863 59.727 1.79635 133.9 5.3 5.2 5.8
56 2 1 4 29.943 59.886 1.792 49.2 2.0 1.9 5.8
57 0 3 1 30.396 60.791 1.76782 292.6 11.6 11.3 5.8
58 2 2 4 30.537 61.075 1.76039 647.3 25.8 25.0 5.8
59 1 3 3 30.645 61.29 1.75483 653.3 26.0 25.2 5.8
60 -2 -2 1 30.829 61.658 1.74536 63.0 2.5 2.4 5.8
61 0 3 2 30.996 61.991 1.73691 248.4 9.9 9.6 5.8
62 0 0 4 31.06 62.12 1.73367 448.7 17.9 17.3 5.8
63 3 2 2 31.302 62.605 1.72159 29.2 1.2 1.1 5.8
64 2 3 1 31.501 63.001 1.71186 255.7 10.2 9.8 5.9
65 -1 -1 3 31.611 63.222 1.70649 100.8 4.0 3.9 5.9
66 3 0 1 31.657 63.315 1.70425 325.8 13.0 12.5 5.9
67 -2 1 2 31.864 63.729 1.69434 175.3 7.0 6.7 5.9
68 0 3 0 31.953 63.907 1.69012 91.0 3.6 3.5 5.9
69 0 2 4 32.081 64.163 1.68409 390.7 15.6 15.0 5.9
70 3 1 3 32.133 64.267 1.68166 827.3 32.9 31.8 5.9
71 1 -2 2 32.228 64.457 1.67723 172.7 6.9 6.6 5.9
72 3 0 2 32.575 65.15 1.66132 116.9 4.7 4.5 5.9
73 -1 2 3 32.647 65.293 1.65808 121.4 4.8 4.7 5.9
74 3 0 0 32.854 65.708 1.64877 107.6 4.3 4.1 5.9
75 2 0 4 33.358 66.716 1.62668 370.0 14.7 14.2 5.9
76 0 3 3 33.688 67.377 1.61259 58.3 2.3 2.2 5.9
77 2 -1 3 33.922 67.844 1.60278 56.1 2.2 2.1 5.9
78 -2 2 0 34.165 68.331 1.59275 592.9 23.6 22.6 5.9
79 2 3 0 34.496 68.992 1.57934 152.9 6.1 5.8 5.9
80 1 3 4 34.678 69.356 1.57209 42.6 1.7 1.6 5.9
81 3 2 0 34.98 69.959 1.56024 159.3 6.3 6.1 5.9
82 2 3 4 35.027 70.054 1.55839 42.6 1.7 1.6 5.9
83 -1 -3 1 35.481 70.962 1.54103 398.5 15.9 15.1 5.9
84 1 1 5 35.53 71.06 1.53919 256.2 10.2 9.7 5.9
85 -3 -1 1 36.034 72.068 1.5205 523.5 20.8 19.8 5.9
86 1 2 5 36.162 72.324 1.51585 90.1 3.6 3.4 5.9
87 3 1 4 36.289 72.579 1.51126 29.6 1.2 1.1 6.0
88 1 -1 4 36.391 72.783 1.50761 91.8 3.7 3.5 6.0
89 3 3 2 36.471 72.941 1.50478 52.0 2.1 2.0 6.0
90 -1 3 0 36.742 73.483 1.49524 48.1 1.9 1.8 6.0
91 3 3 3 36.888 73.776 1.49014 249.8 9.9 9.4 6.0
92 2 1 5 36.968 73.935 1.48738 76.5 3.0 2.9 6.0
93 -2 -2 2 37.07 74.139 1.48388 307.7 12.3 11.6 6.0
94 3 -1 1 37.181 74.362 1.48008 47.9 1.9 1.8 6.0
95 -2 1 3 37.581 75.163 1.4666 191.2 7.6 7.2 6.0
96 -2 2 2 37.758 75.517 1.46074 63.7 2.5 2.4 6.0
97 3 3 1 38.034 76.069 1.45173 89.0 3.5 3.3 6.0
98 1 -2 3 38.228 76.456 1.4455 222.9 8.9 8.4 6.0
99 2 -2 2 38.58 77.161 1.43432 42.0 1.7 1.6 6.0
100 -1 -2 3 38.868 77.736 1.42537 268.5 10.7 10.1 6.0
101 1 -3 1 39.429 78.857 1.40834 226.5 9.0 8.5 6.0
102 0 2 5 39.505 79.01 1.40607 64.8 2.6 2.4 6.0
103 -3 -2 1 39.694 79.388 1.40046 40.3 1.6 1.5 6.0
104 -3 1 1 39.76 79.52 1.39853 242.0 9.6 9.0 6.0
105 2 3 5 40.094 80.188 1.38882 119.5 4.8 4.5 6.0
106 0 0 5 40.159 80.319 1.38694 52.3 2.1 2.0 6.0
107 2 4 2 40.35 80.7 1.3815 228.4 9.1 8.5 6.1
108 1 4 1 40.458 80.915 1.37845 292.7 11.7 10.9 6.1
109 2 4 3 40.654 81.308 1.37295 83.1 3.3 3.1 6.1
110 0 -3 2 40.864 81.728 1.36712 53.1 2.1 2.0 6.1
111 3 2 5 41.057 82.115 1.36181 141.5 5.6 5.2 6.1
112 -1 -3 2 41.517 83.033 1.34944 79.3 3.2 2.9 6.1
113 4 2 2 41.85 83.701 1.34064 304.6 12.1 11.3 6.1
114 4 1 1 42.13 84.26 1.33339 108.2 4.3 4.0 6.1
115 3 1 5 42.186 84.373 1.33194 40.9 1.6 1.5 6.1
116 4 2 3 42.353 84.705 1.3277 57.8 2.3 2.1 6.1
117 3 -1 3 42.388 84.776 1.3268 114.7 4.6 4.2 6.1
118 0 4 2 42.47 84.939 1.32473 42.0 1.7 1.5 6.1
119 2 4 4 42.875 85.75 1.31461 57.6 2.3 2.1 6.1
120 1 4 0 43.311 86.622 1.30396 62.2 2.5 2.3 6.1
121 3 3 5 43.514 87.028 1.29908 63.0 2.5 2.3 6.1
122 0 4 3 44.128 88.257 1.28465 42.9 1.7 1.6 6.2
123 -1 1 5 44.201 88.401 1.28298 230.4 9.2 8.4 6.2
124 2 2 6 44.387 88.773 1.27872 27.4 1.1 1.0 6.2
125 -2 0 4 44.52 89.041 1.27568 40.9 1.6 1.5 6.2
126 1 2 6 44.554 89.108 1.27492 200.8 8.0 7.3 6.2
127 4 1 0 44.67 89.341 1.2723 104.4 4.2 3.8 6.2
128 4 0 2 44.721 89.441 1.27117 83.1 3.3 3.0 6.2
129 4 2 4 44.762 89.525 1.27024 35.7 1.4 1.3 6.2
130 0 4 0 44.881 89.762 1.26759 108.5 4.3 3.9 6.2
131 -2 1 4 44.914 89.829 1.26685 66.2 2.6 2.4 6.2
132 0 -2 4 44.957 89.914 1.26591 61.5 2.5 2.2 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)
|