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 ***
***********************
GERMANIUM
2, syn
Ge
Tetragonal P 4(3)2(1)2 Z = 12
P4(3)2(1)2
16 .3 .20
Ref.Str.:
Kasper J.S., Richards S.M. (1964)
* Acta Cryst., 17, 752-755
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.93 alpha = 90.0
b = 5.93 beta = 90.0
c = 6.98 gamma = 90.0
Unit cell volume (cub. angs.) = 245.45
Molar volume ( cub.cm/mol.) = 12.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0912 0.0912 0.0 4.51 Ge = 1.00
2 0.173 0.3784 0.2486 1.15 Ge = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0912 0.0912 0.0
2 2 0.173 0.3784 0.2486
3 2 0.3784 0.173 0.7514
4 1 0.4088 0.5912 0.75
5 1 0.9088 0.9088 0.5
6 1 0.5912 0.4088 0.25
7 2 0.1216 0.673 0.9986
8 2 0.827 0.6216 0.7486
9 2 0.8784 0.327 0.4986
10 2 0.327 0.8784 0.5014
11 2 0.6216 0.827 0.2514
12 2 0.673 0.1216 0.0014
X-ray density (g/cm cub.) = 5.89
MU (1/cm) = 445.372 Mass attenuation coefficient (cm**2/g) = 75.6
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ge 3.336 4
2.4793 2
2.4793 2
2.4865 2
2.4865 2
2 Ge 3.336 4
2.4793 1
2.4865 1
2.4879 2
2.4879 2
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 9.814 19.627 0.111 65.93 8 26.6 619.0
2 1 1 0 10.585 21.171 0.119 56.36 4 0.2 0.0
3 1 1 1 12.374 24.749 0.139 40.68 8 56.3 1710.4
4 1 0 2 14.839 29.677 0.166 27.68 8 101.8 3809.4
5 2 0 0 15.058 30.115 0.169 26.82 4 14.9 39.4
6 2 0 1 16.395 32.79 0.183 22.33 8 179.5 9552.7
7 1 1 2 16.688 33.376 0.186 21.49 8 92.2 2426.1
8 2 1 0 16.885 33.77 0.189 20.95 8 11.8 38.7
9 2 1 1 18.102 36.204 0.202 17.99 16 54.1 1399.3
10 2 0 2 19.931 39.862 0.221 14.55 8 1.0 0.2
11 1 0 3 20.832 41.665 0.231 13.18 8 13.5 32.1
12 2 1 2 21.395 42.79 0.237 12.42 16 12.6 51.9
13 2 2 0 21.555 43.111 0.238 12.21 4 7.9 5.1
14 1 1 3 22.248 44.496 0.246 11.37 8 49.4 368.1
15 2 2 1 22.558 45.116 0.249 11.02 8 18.7 51.2
16 3 0 1 23.892 47.784 0.263 9.68 8 96.3 1192.9
17 3 1 0 24.253 48.506 0.267 9.35 8 75.5 707.2
18 2 0 3 24.887 49.774 0.273 8.82 8 144.0 2430.4
19 3 1 1 25.172 50.343 0.276 8.6 16 71.6 1169.8
20 2 2 2 25.379 50.757 0.278 8.44 8 181.6 3696.0
21 2 1 3 26.131 52.261 0.286 7.89 16 43.2 390.7
22 0 0 4 26.195 52.389 0.287 7.85 2 215.3 1207.6
23 3 0 2 26.606 53.212 0.291 7.58 8 17.1 29.5
24 1 0 4 27.396 54.792 0.299 7.09 8 3.2 0.9
25 3 1 2 27.795 55.59 0.303 6.86 16 14.2 36.6
26 3 2 0 27.927 55.854 0.304 6.79 8 105.0 993.6
27 1 1 4 28.563 57.125 0.31 6.45 8 11.9 12.1
28 3 2 1 28.762 57.524 0.312 6.35 16 20.2 68.8
29 2 2 3 29.641 59.281 0.321 5.93 8 20.4 32.6
30 3 0 3 30.753 61.505 0.332 5.46 8 76.5 425.1
31 2 0 4 30.81 61.62 0.332 5.44 8 16.9 20.6
32 3 2 2 31.181 62.362 0.336 5.3 16 26.2 96.6
33 4 0 0 31.304 62.608 0.337 5.25 4 125.5 549.3
34 3 1 3 31.842 63.683 0.342 5.06 16 60.9 498.3
35 2 1 4 31.898 63.796 0.343 5.04 16 1.6 0.3
36 4 0 1 32.085 64.169 0.345 4.98 8 17.1 19.4
37 4 1 0 32.383 64.766 0.348 4.88 8 30.6 60.7
38 4 1 1 33.149 66.299 0.355 4.64 16 23.1 65.8
39 3 3 0 33.442 66.885 0.358 4.55 4 85.9 223.3
40 3 3 1 34.197 68.394 0.365 4.35 8 36.9 78.5
41 4 0 2 34.369 68.737 0.366 4.3 8 0.7 0.0
42 1 0 5 34.532 69.063 0.368 4.26 8 10.1 5.7
43 3 2 3 34.998 69.995 0.372 4.15 16 16.2 28.8
44 2 2 4 35.052 70.103 0.373 4.13 8 3.7 0.8
45 4 1 2 35.399 70.798 0.376 4.05 16 8.8 8.4
46 4 2 0 35.515 71.029 0.377 4.03 8 24.1 31.0
47 1 1 5 35.56 71.12 0.377 4.02 8 43.6 101.6
48 3 0 4 36.073 72.147 0.382 3.9 8 3.6 0.7
49 4 2 1 36.249 72.499 0.384 3.87 16 68.1 476.1
50 3 3 2 36.417 72.833 0.385 3.83 8 47.8 116.3
51 3 1 4 37.083 74.167 0.391 3.7 16 57.8 329.1
52 2 0 5 37.581 75.161 0.396 3.62 8 100.1 481.0
53 4 0 3 38.031 76.063 0.4 3.54 8 16.1 12.2
54 4 2 2 38.42 76.841 0.403 3.48 16 27.6 70.3
55 2 1 5 38.576 77.152 0.405 3.45 16 25.5 59.6
56 4 1 3 39.023 78.047 0.409 3.39 16 24.4 53.3
57 3 3 3 40.008 80.016 0.417 3.25 8 34.6 51.6
58 3 2 4 40.06 80.119 0.418 3.25 16 70.4 427.6
59 4 3 0 40.502 81.004 0.422 3.19 8 15.9 10.7
60 4 3 1 41.207 82.415 0.428 3.12 16 38.3 121.2
61 5 0 1 41.207 82.415 0.428 3.12 8 10.1 4.2
62 5 1 0 41.479 82.957 0.43 3.09 8 30.3 37.6
63 2 2 5 41.522 83.043 0.43 3.08 8 16.7 11.4
64 4 2 3 41.961 83.922 0.434 3.04 16 57.2 264.2
65 5 1 1 42.181 84.361 0.436 3.02 16 36.7 108.0
66 1 0 6 42.435 84.87 0.438 3.0 8 37.6 56.2
67 3 0 5 42.494 84.987 0.438 2.99 8 53.8 115.2
68 4 0 4 42.983 85.965 0.443 2.96 8 90.1 318.6
69 4 3 2 43.311 86.621 0.445 2.93 16 37.2 107.5
70 5 0 2 43.311 86.621 0.445 2.93 8 102.1 405.7
71 1 1 6 43.404 86.809 0.446 2.92 8 56.5 124.0
72 3 1 5 43.463 86.926 0.447 2.92 16 46.1 164.6
73 4 1 4 43.951 87.901 0.451 2.89 16 26.9 55.4
74 5 1 2 44.278 88.557 0.453 2.87 16 59.4 268.3
75 5 2 0 44.388 88.775 0.454 2.86 8 18.4 12.9
76 3 3 4 44.918 89.835 0.458 2.83 8 66.2 164.8
77 5 2 1 45.085 90.171 0.46 2.82 16 64.2 309.2
78 2 0 6 45.339 90.677 0.462 2.81 8 1.6 0.1
79 2 1 6 46.306 92.612 0.469 2.77 16 13.6 13.6
80 3 2 5 46.364 92.729 0.47 2.77 16 17.9 23.6
81 4 3 3 46.802 93.603 0.473 2.76 16 33.1 80.1
82 5 0 3 46.802 93.603 0.473 2.76 8 9.9 3.6
83 4 2 4 46.852 93.705 0.474 2.76 16 20.6 31.2
84 5 2 2 47.181 94.362 0.476 2.75 16 11.1 9.0
85 4 4 0 47.29 94.581 0.477 2.75 4 44.1 35.6
86 5 1 3 47.772 95.543 0.481 2.74 16 31.6 72.5
87 4 4 1 47.991 95.982 0.482 2.74 8 32.5 38.3
88 2 2 6 49.221 98.442 0.492 2.73 8 93.3 315.2
89 5 3 0 49.237 98.474 0.492 2.73 8 12.7 5.8
90 4 0 5 49.28 98.56 0.492 2.73 8 18.3 12.2
91 5 3 1 49.944 99.887 0.497 2.73 16 48.9 173.2
92 4 4 2 50.106 100.212 0.498 2.73 8 3.9 0.6
93 3 0 6 50.201 100.402 0.499 2.73 8 12.2 5.4
94 4 1 5 50.26 100.521 0.499 2.73 16 19.1 26.5
95 5 2 3 50.705 101.41 0.502 2.74 16 55.0 219.9
96 3 1 6 51.187 102.374 0.506 2.75 16 15.8 18.2
97 6 0 0 51.203 102.406 0.506 2.75 4 19.5 7.0
98 3 3 5 51.247 102.494 0.506 2.75 8 25.3 23.3
99 1 0 7 51.567 103.133 0.508 2.76 8 2.0 0.1
100 4 3 4 51.747 103.494 0.51 2.76 16 16.9 20.8
101 5 0 4 51.747 103.494 0.51 2.76 8 0.2 0.0
102 6 0 1 51.92 103.839 0.511 2.77 8 26.8 26.5
103 5 3 2 52.084 104.169 0.512 2.77 16 26.2 50.7
104 6 1 0 52.197 104.394 0.513 2.77 8 42.5 66.7
105 1 1 7 52.564 105.127 0.515 2.79 8 32.6 39.3
106 5 1 4 52.746 105.491 0.517 2.79 16 19.2 27.3
107 6 1 1 52.92 105.84 0.518 2.8 16 24.0 42.7
108 4 2 5 53.244 106.489 0.52 2.81 16 43.4 140.8
109 4 4 3 53.701 107.402 0.523 2.83 8 28.6 30.8
110 6 0 2 54.098 108.196 0.526 2.85 8 0.8 0.0
111 3 2 6 54.196 108.393 0.526 2.86 16 16.5 20.6
112 2 0 7 54.588 109.175 0.529 2.88 8 64.2 157.6
113 6 1 2 55.122 110.244 0.533 2.91 16 18.6 26.6
114 6 2 0 55.238 110.477 0.533 2.92 8 1.5 0.1
115 2 1 7 55.618 111.235 0.536 2.94 16 16.8 22.1
116 5 3 3 55.752 111.504 0.537 2.95 16 42.8 143.3
117 5 2 4 55.806 111.613 0.537 2.95 16 13.3 13.8
118 6 2 1 55.987 111.974 0.538 2.97 16 21.2 35.4
119 5 4 0 56.278 112.555 0.54 2.99 8 29.3 34.0
120 5 4 1 57.037 114.075 0.545 3.05 16 19.8 31.6
121 4 0 6 57.315 114.631 0.546 3.07 8 1.3 0.1
122 6 0 3 57.863 115.725 0.55 3.12 8 24.7 25.2
123 6 2 2 58.284 116.568 0.552 3.15 16 26.2 57.5
124 4 1 6 58.388 116.777 0.553 3.16 16 1.2 0.1
125 4 3 5 58.454 116.908 0.553 3.17 16 24.4 50.2
126 5 0 5 58.454 116.908 0.553 3.17 8 4.4 0.8
127 2 2 7 58.805 117.609 0.555 3.21 8 16.7 11.8
128 6 1 3 58.946 117.891 0.556 3.22 16 21.6 39.7
129 4 4 4 59.003 118.006 0.556 3.23 8 33.1 46.8
130 5 4 2 59.375 118.751 0.559 3.26 16 44.1 168.3
131 3 3 6 59.482 118.964 0.559 3.28 8 19.8 17.0
132 5 1 5 59.549 119.098 0.56 3.28 16 24.9 54.1
133 3 0 7 59.907 119.814 0.562 3.32 8 31.2 43.0
134 6 3 0 60.618 121.235 0.566 3.41 8 1.5 0.1
135 3 1 7 61.034 122.068 0.568 3.46 16 32.6 97.7
136 5 3 4 61.242 122.484 0.569 3.48 16 10.6 10.5
137 6 3 1 61.441 122.882 0.57 3.51 16 31.2 90.9
138 4 2 6 61.744 123.487 0.572 3.55 16 23.2 50.6
139 0 0 8 61.987 123.974 0.573 3.58 2 84.6 85.2
140 6 2 3 62.341 124.683 0.575 3.64 16 20.9 42.1
141 5 2 5 62.991 125.983 0.578 3.73 16 41.6 171.8
142 1 0 8 63.17 126.339 0.579 3.76 8 3.0 0.4
143 5 4 3 63.535 127.069 0.581 3.82 16 19.1 36.9
144 6 0 4 63.598 127.196 0.581 3.83 8 19.0 18.3
145 6 3 2 64.012 128.023 0.583 3.9 16 25.5 67.1
146 1 1 8 64.389 128.779 0.585 3.96 8 15.6 12.9
147 3 2 7 64.605 129.21 0.586 4.0 16 10.1 10.8
148 6 1 4 64.832 129.665 0.587 4.04 16 34.5 127.6
149 7 0 1 66.34 132.679 0.595 4.34 8 48.3 134.1
150 5 5 0 66.708 133.415 0.596 4.41 4 44.3 57.6
151 7 1 0 66.708 133.415 0.596 4.41 8 20.8 25.4
152 4 4 5 66.767 133.533 0.596 4.43 8 26.8 42.1
153 2 0 8 66.966 133.932 0.597 4.47 8 13.5 10.7
154 5 5 1 67.684 135.368 0.6 4.64 8 8.5 4.5
155 7 1 1 67.684 135.368 0.6 4.64 16 22.6 63.1
156 4 3 6 68.047 136.094 0.602 4.72 16 24.1 72.8
157 5 0 6 68.047 136.094 0.602 4.72 8 57.2 205.5
158 2 1 8 68.341 136.681 0.603 4.8 16 5.6 4.1
159 4 0 7 68.586 137.172 0.604 4.86 8 13.2 11.2
160 6 3 3 68.771 137.541 0.605 4.91 16 27.5 98.7
161 6 2 4 68.846 137.692 0.605 4.93 16 1.2 0.2
162 7 0 2 69.337 138.674 0.607 5.06 8 5.4 1.9
163 5 1 6 69.479 138.958 0.608 5.1 16 36.4 179.8
164 6 4 0 69.503 139.006 0.608 5.11 8 24.1 39.5
165 5 3 5 69.568 139.136 0.608 5.13 16 32.4 142.9
166 4 1 7 70.049 140.099 0.61 5.27 16 19.0 50.5
167 5 4 4 70.325 140.649 0.611 5.35 16 22.9 74.4
168 6 4 1 70.591 141.181 0.612 5.44 16 3.8 2.1
169 5 5 2 70.847 141.694 0.613 5.52 8 29.5 63.9
170 7 1 2 70.847 141.694 0.613 5.52 16 2.4 0.9
171 7 2 0 71.024 142.047 0.614 5.58 8 58.5 253.7
172 3 3 7 71.608 143.216 0.616 5.78 8 21.5 35.4
173 7 2 1 72.189 144.378 0.618 5.99 16 7.6 9.2
174 6 0 5 72.731 145.463 0.62 6.2 8 17.3 24.8
175 2 2 8 72.987 145.974 0.621 6.31 8 0.1 0.0
176 6 4 2 74.226 148.452 0.625 6.86 16 27.5 137.3
177 5 2 6 74.405 148.811 0.625 6.94 16 9.7 17.3
178 6 1 5 74.519 149.037 0.626 7.0 16 19.3 69.3
179 3 0 8 74.801 149.602 0.626 7.14 8 3.6 1.2
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 0 1 9.814 19.627 4.51926 619.0 6.5 6.5 5.6
2 1 1 1 12.374 24.749 3.59442 1710.4 17.9 18.0 5.6
3 1 0 2 14.839 29.677 3.00776 3809.4 39.9 40.0 5.6
4 2 0 1 16.395 32.79 2.72899 9552.7 100.0 100.0 5.6
5 1 1 2 16.688 33.376 2.68244 2426.1 25.4 25.4 5.7
6 2 1 1 18.102 36.204 2.47907 1399.3 14.6 14.6 5.7
7 1 1 3 22.248 44.496 2.03446 368.1 3.9 3.8 5.7
8 3 0 1 23.892 47.784 1.90188 1192.9 12.5 12.3 5.7
9 3 1 0 24.253 48.506 1.87523 707.2 7.4 7.3 5.7
10 2 0 3 24.887 49.774 1.83039 2430.4 25.4 25.0 5.7
11 3 1 1 25.172 50.343 1.81101 1169.8 12.2 12.0 5.8
12 2 2 2 25.379 50.757 1.79721 3696.0 38.7 38.0 5.8
13 2 1 3 26.131 52.261 1.74897 390.7 4.1 4.0 5.8
14 0 0 4 26.195 52.389 1.745 1207.6 12.6 12.4 5.8
15 3 2 0 27.927 55.854 1.64469 993.6 10.4 10.1 5.8
16 3 0 3 30.753 61.505 1.50642 425.1 4.4 4.3 5.8
17 3 2 2 31.181 62.362 1.48776 96.6 1.0 1.0 5.8
18 4 0 0 31.304 62.608 1.4825 549.3 5.7 5.6 5.8
19 3 1 3 31.842 63.683 1.46005 498.3 5.2 5.0 5.9
20 3 3 0 33.442 66.885 1.39771 223.3 2.3 2.2 5.9
21 1 1 5 35.56 71.12 1.32452 101.6 1.1 1.0 5.9
22 4 2 1 36.249 72.499 1.30269 476.1 5.0 4.7 5.9
23 3 3 2 36.417 72.833 1.29753 116.3 1.2 1.2 6.0
24 3 1 4 37.083 74.167 1.27746 329.1 3.4 3.3 6.0
25 2 0 5 37.581 75.161 1.26301 481.0 5.0 4.8 6.0
26 3 2 4 40.06 80.119 1.19686 427.6 4.5 4.2 6.0
27 4 3 1 41.207 82.415 1.16924 125.4 1.3 1.2 6.1
28 4 2 3 41.961 83.922 1.15203 264.2 2.8 2.6 6.1
29 5 1 1 42.181 84.361 1.14715 108.0 1.1 1.0 6.1
30 3 0 5 42.494 84.987 1.1403 115.2 1.2 1.1 6.1
31 4 0 4 42.983 85.965 1.12981 318.6 3.3 3.1 6.1
32 5 0 2 43.311 86.621 1.12293 513.2 5.4 4.9 6.1
33 1 1 6 43.404 86.809 1.12099 124.0 1.3 1.2 6.1
34 3 1 5 43.463 86.926 1.11978 164.6 1.7 1.6 6.1
35 5 1 2 44.278 88.557 1.10332 268.3 2.8 2.6 6.2
36 3 3 4 44.918 89.835 1.09091 164.8 1.7 1.6 6.2
37 5 2 1 45.085 90.171 1.08772 309.2 3.2 2.9 6.2
38 2 2 6 49.221 98.442 1.01723 321.1 3.4 3.0 6.4
39 5 3 1 49.944 99.887 1.00636 173.2 1.8 1.6 6.4
40 5 2 3 50.705 101.41 0.99533 219.9 2.3 2.0 6.4
41 4 2 5 53.244 106.489 0.96141 140.8 1.5 1.3 6.6
42 2 0 7 54.588 109.175 0.94513 157.6 1.7 1.4 6.7
43 5 3 3 55.752 111.504 0.93186 143.3 1.5 1.3 6.7
44 5 4 2 59.375 118.751 0.89513 168.3 1.8 1.4 7.0
45 3 1 7 61.034 122.068 0.88041 97.7 1.0 0.8 7.2
46 5 2 5 62.991 125.983 0.86457 171.8 1.8 1.4 7.4
47 6 1 4 64.832 129.665 0.85107 127.6 1.3 1.0 7.7
48 7 0 1 66.34 132.679 0.84097 134.1 1.4 1.0 7.9
49 5 0 6 68.047 136.094 0.8305 278.3 2.9 2.0 8.2
50 6 3 3 68.771 137.541 0.82636 98.7 1.0 0.7 8.4
51 5 1 6 69.479 138.958 0.82247 219.3 2.3 1.5 8.5
52 5 3 5 69.568 139.136 0.82199 142.9 1.5 1.0 8.6
53 7 2 0 71.024 142.047 0.81455 253.7 2.7 1.7 8.9
54 6 4 2 74.226 148.452 0.80042 137.3 1.4 0.8 10.1
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)
|