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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ENSTATITE
38, t-hypersthene, Ge-analogue
MgSi(0.83)Ge(0.17)O(3)
Orthorhombic P bca Z = 16
R =0.0178 NR =1185
20 .9 .24
Ref.Str.:
G.J. Redhammer, G. Tippelt (2024)
* Minerals, 14, 864, doi.org/10.3390/min14090864
L: $Mg1 Si0.827 Ge0.173 O3$
R: Sample MgGe20_1. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.3324 alpha = 90.0
b = 8.8447 beta = 90.0
c = 5.2138 gamma = 90.0
Unit cell volume (cub. angs.) = 845.39
Molar volume ( cub.cm/mol.) = 31.83
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3755 0.6539 0.8624 0.0 Mg = 1.00
2 0.3767 0.4871 0.3548 0.0 Mg = 1.00
3 0.2715 0.342 0.0471 0.0 Si = 0.9 , Ge = 0.1
4 0.4732 0.3385 0.8019 0.0 Si = 0.76, Ge = 0.24
5 0.1832 0.3401 0.0315 0.0 O = 1.00
6 0.3109 0.5035 0.0407 0.0 O = 1.00
7 0.3034 0.2219 0.8293 0.0 O = 1.00
8 0.5632 0.3398 0.8045 0.0 O = 1.00
9 0.4321 0.4844 0.6842 0.0 O = 1.00
10 0.4467 0.1908 0.6108 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3755 0.6539 0.8624
2 2 0.3767 0.4871 0.3548
3 3 0.2715 0.342 0.0471
4 4 0.4732 0.3385 0.8019
5 5 0.1832 0.3401 0.0315
6 6 0.3109 0.5035 0.0407
7 7 0.3034 0.2219 0.8293
8 8 0.5632 0.3398 0.8045
9 9 0.4321 0.4844 0.6842
10 10 0.4467 0.1908 0.6108
11 1 0.1245 0.3461 0.3624
12 2 0.1233 0.5129 0.8548
13 3 0.2285 0.658 0.5471
14 4 0.0268 0.6615 0.3019
15 5 0.3168 0.6599 0.5315
16 6 0.1891 0.4965 0.5407
17 7 0.1966 0.7781 0.3293
18 8 0.9368 0.6602 0.3045
19 9 0.0679 0.5156 0.1842
20 10 0.0533 0.8092 0.1108
21 1 0.1245 0.1539 0.8624
22 2 0.1233 0.9871 0.3548
23 3 0.2285 0.842 0.0471
24 4 0.0268 0.8385 0.8019
25 5 0.3168 0.8401 0.0315
26 6 0.1891 0.0035 0.0407
27 7 0.1966 0.7219 0.8293
28 8 0.9368 0.8398 0.8045
29 9 0.0679 0.9844 0.6842
30 10 0.0533 0.6908 0.6108
31 1 0.3755 0.8461 0.3624
32 2 0.3767 0.0129 0.8548
33 3 0.2715 0.158 0.5471
34 4 0.4732 0.1615 0.3019
35 5 0.1832 0.1599 0.5315
36 6 0.3109 0.9965 0.5407
37 7 0.3034 0.2781 0.3293
38 8 0.5632 0.1602 0.3045
39 9 0.4321 0.0156 0.1842
40 10 0.4467 0.3092 0.1108
41 1 0.8755 0.6539 0.6376
42 2 0.8767 0.4871 0.1452
43 3 0.7715 0.342 0.4529
44 4 0.9732 0.3385 0.6981
45 5 0.6832 0.3401 0.4685
46 6 0.8109 0.5035 0.4593
47 7 0.8034 0.2219 0.6707
48 8 0.0632 0.3398 0.6955
49 9 0.9321 0.4844 0.8158
50 10 0.9467 0.1908 0.8892
51 1 0.6245 0.3461 0.1376
52 2 0.6233 0.5129 0.6452
53 3 0.7285 0.658 0.9529
54 4 0.5268 0.6615 0.1981
55 5 0.8168 0.6599 0.9685
56 6 0.6891 0.4965 0.9593
57 7 0.6966 0.7781 0.1707
58 8 0.4368 0.6602 0.1955
59 9 0.5679 0.5156 0.3158
60 10 0.5533 0.8092 0.3892
61 1 0.6245 0.1539 0.6376
62 2 0.6233 0.9871 0.1452
63 3 0.7285 0.842 0.4529
64 4 0.5268 0.8385 0.6981
65 5 0.8168 0.8401 0.4685
66 6 0.6891 0.0035 0.4593
67 7 0.6966 0.7219 0.6707
68 8 0.4368 0.8398 0.6955
69 9 0.5679 0.9844 0.8158
70 10 0.5533 0.6908 0.8892
71 1 0.8755 0.8461 0.1376
72 2 0.8767 0.0129 0.6452
73 3 0.7715 0.158 0.9529
74 4 0.9732 0.1615 0.1981
75 5 0.6832 0.1599 0.9685
76 6 0.8109 0.9965 0.9593
77 7 0.8034 0.2781 0.1707
78 8 0.0632 0.1602 0.1955
79 9 0.9321 0.0156 0.3158
80 10 0.9467 0.3092 0.3892
X-ray density (g/cm cub.) = 3.39
MU (1/cm) = 120.687 Mass attenuation coefficient (cm**2/g) = 35.562
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.009 6
2.0463 9
2.034 5
2.1558 5
2.0693 8
2.1734 8
2 Mg 2.52 6
2.0391 6
1.9954 9
2.0954 5
2.2892 7
2.396 10
2.061 8
3 Si ,Ge 2.412 4
1.6209 5
1.601 6
1.6613 7
1.6811 7
4 Si ,Ge 2.412 4
1.65 8
1.6154 9
1.7133 10
1.7021 10
5 O 3.264 11
2.7516 6
2.6571 7
2.9956 6
2.9109 6
2.7406 9
2.9795 6
3.0555 5
3.0555 5
2.7508 7
2.8122 8
2.8465 8
6 O 3.264 10
2.7516 5
2.7271 7
2.9018 9
2.9109 5
2.9956 5
2.9795 5
3.0556 7
2.5015 7
3.0471 10
2.8106 8
7 O 3.264 9
2.6571 5
2.7271 6
2.8766 10
3.0556 6
2.7508 5
2.5015 6
2.6539 7
2.6539 7
3.1067 10
8 O 3.264 12
2.7938 9
2.7052 10
3.0528 8
3.0528 8
2.6805 10
2.8122 5
2.8106 6
3.0873 9
2.9862 9
3.1451 9
3.141 10
2.8465 5
9 O 3.264 10
2.9018 6
2.7938 8
2.6385 10
2.7406 5
2.724 10
3.0873 8
2.9862 8
3.1565 9
3.1451 8
3.0679 10
10 O 3.264 11
2.8766 7
2.7052 8
2.6385 9
3.0471 6
3.1067 7
2.6805 8
2.724 9
2.8094 10
2.8094 10
3.141 8
3.0679 9
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 2 0 0 4.821 9.641 0.055 280.23 2 16.3 20.7
2 2 1 0 6.951 13.902 0.079 133.59 4 0.8 0.0
3 4 0 0 9.676 19.351 0.109 67.88 2 40.4 31.0
4 0 2 0 10.031 20.062 0.113 63.01 2 78.8 109.4
5 1 1 1 10.17 20.34 0.115 61.24 8 24.8 42.0
6 4 1 0 10.912 21.823 0.123 52.92 4 23.0 15.7
7 2 1 1 11.01 22.02 0.124 51.94 8 13.4 10.5
8 2 2 0 11.151 22.301 0.126 50.58 4 5.6 0.9
9 3 1 1 12.289 24.578 0.138 41.28 8 2.0 0.2
10 0 2 1 13.203 26.405 0.148 35.49 4 15.3 4.6
11 1 2 1 13.428 26.857 0.151 34.24 8 87.4 292.5
12 4 1 1 13.894 27.788 0.156 31.85 8 66.6 158.0
13 4 2 0 14.007 28.014 0.157 31.3 4 144.2 364.1
14 2 2 1 14.085 28.171 0.158 30.94 8 155.0 831.7
15 6 0 0 14.602 29.204 0.164 28.65 2 16.5 2.2
16 3 2 1 15.122 30.244 0.169 26.58 8 103.7 320.0
17 6 1 0 15.469 30.939 0.173 25.31 4 228.7 740.9
18 5 1 1 15.736 31.471 0.176 24.4 8 81.3 180.7
19 2 3 0 15.929 31.858 0.178 23.77 4 31.7 13.3
20 4 2 1 16.473 32.947 0.184 22.1 8 104.4 269.7
21 0 0 2 17.186 34.372 0.192 20.16 2 40.8 9.4
22 1 0 2 17.365 34.729 0.194 19.71 4 18.0 3.6
23 1 3 1 17.642 35.285 0.197 19.04 8 129.7 358.5
24 6 1 1 17.753 35.505 0.198 18.78 8 45.8 44.1
25 6 2 0 17.844 35.688 0.199 18.57 4 16.9 3.0
26 2 0 2 17.89 35.781 0.199 18.46 4 230.0 546.7
27 5 2 1 18.079 36.158 0.201 18.04 8 108.7 238.9
28 4 3 0 18.099 36.198 0.202 18.0 4 34.3 11.8
29 1 1 2 18.113 36.227 0.202 17.97 8 10.5 2.2
30 2 3 1 18.161 36.322 0.202 17.87 8 59.5 70.7
31 2 1 2 18.621 37.241 0.207 16.91 8 17.4 5.7
32 3 0 2 18.738 37.476 0.209 16.68 4 76.7 54.9
33 3 3 1 18.998 37.997 0.211 16.18 8 51.6 48.2
34 3 1 2 19.441 38.882 0.216 15.37 8 41.9 30.2
35 8 0 0 19.642 39.284 0.218 15.03 2 43.0 7.8
36 4 0 2 19.873 39.746 0.221 14.64 4 24.2 4.8
37 6 2 1 19.888 39.776 0.221 14.62 8 28.4 13.2
38 7 1 1 19.905 39.811 0.221 14.59 8 50.3 41.3
39 0 2 2 20.059 40.119 0.223 14.34 4 16.3 2.1
40 4 3 1 20.121 40.241 0.223 14.24 8 23.7 9.0
41 1 2 2 20.216 40.432 0.224 14.09 8 1.4 0.0
42 8 1 0 20.318 40.637 0.225 13.94 4 14.0 1.5
43 0 4 0 20.387 40.774 0.226 13.83 2 45.2 7.9
44 4 1 2 20.543 41.086 0.228 13.6 8 11.8 2.1
45 2 2 2 20.679 41.359 0.229 13.4 8 17.1 4.4
46 2 4 0 20.999 41.998 0.233 12.95 4 28.6 5.9
47 5 0 2 21.257 42.514 0.235 12.6 4 159.2 178.7
48 6 3 0 21.289 42.577 0.236 12.56 4 31.5 7.0
49 3 2 2 21.434 42.867 0.237 12.37 8 29.3 11.9
50 5 3 1 21.492 42.983 0.238 12.29 8 85.3 100.2
51 7 2 1 21.863 43.726 0.242 11.83 8 56.2 41.9
52 5 1 2 21.892 43.785 0.242 11.79 8 86.0 97.7
53 8 1 1 22.17 44.341 0.245 11.46 8 55.8 39.9
54 0 4 1 22.234 44.468 0.246 11.39 4 0.7 0.0
55 8 2 0 22.246 44.492 0.246 11.37 4 31.8 6.4
56 1 4 1 22.378 44.756 0.247 11.22 8 78.9 78.3
57 4 2 2 22.455 44.91 0.248 11.14 8 25.7 8.2
58 4 4 0 22.754 45.509 0.251 10.81 4 101.5 62.3
59 2 4 1 22.806 45.612 0.252 10.75 8 101.1 123.1
60 6 0 2 22.856 45.711 0.252 10.7 4 5.4 0.2
61 6 3 1 23.077 46.155 0.254 10.47 8 104.2 127.1
62 1 3 2 23.369 46.738 0.257 10.18 8 7.7 0.7
63 6 1 2 23.457 46.913 0.258 10.09 8 36.3 14.9
64 3 4 1 23.505 47.011 0.259 10.04 8 35.2 13.9
65 5 2 2 23.717 47.434 0.261 9.84 8 11.2 1.4
66 2 3 2 23.783 47.566 0.262 9.78 8 0.3 0.0
67 8 2 1 23.978 47.957 0.264 9.6 8 53.6 30.8
68 4 4 1 24.459 48.917 0.269 9.18 8 49.8 25.5
69 3 3 2 24.461 48.922 0.269 9.17 8 35.2 12.7
70 9 1 1 24.534 49.067 0.27 9.11 8 23.4 5.6
71 7 0 2 24.64 49.279 0.271 9.02 4 58.2 17.1
72 10 0 0 24.846 49.691 0.273 8.85 2 13.9 0.5
73 7 3 1 24.849 49.699 0.273 8.85 8 11.2 1.2
74 6 2 2 25.194 50.387 0.276 8.58 8 67.7 44.0
75 8 3 0 25.197 50.394 0.276 8.58 4 0.2 0.0
76 7 1 2 25.208 50.417 0.276 8.57 8 0.9 0.0
77 4 3 2 25.387 50.775 0.278 8.43 8 26.6 6.7
78 10 1 0 25.411 50.822 0.279 8.41 4 130.4 80.0
79 6 4 0 25.468 50.937 0.279 8.37 4 7.8 0.3
80 5 4 1 25.645 51.291 0.281 8.24 8 82.5 62.8
81 9 2 1 26.217 52.435 0.287 7.83 8 12.0 1.3
82 2 5 0 26.326 52.652 0.288 7.76 4 101.6 44.9
83 5 3 2 26.544 53.088 0.29 7.62 8 21.9 4.1
84 8 0 2 26.586 53.173 0.291 7.59 4 11.5 0.6
85 8 3 1 26.785 53.57 0.293 7.46 8 108.4 98.1
86 7 2 2 26.861 53.723 0.293 7.41 8 73.6 45.0
87 1 1 3 26.978 53.955 0.294 7.34 8 3.6 0.1
88 10 1 1 26.989 53.979 0.295 7.33 8 2.2 0.0
89 6 4 1 27.045 54.089 0.295 7.3 8 36.7 11.0
90 10 2 0 27.055 54.11 0.295 7.29 4 25.2 2.6
91 8 1 2 27.125 54.251 0.296 7.25 8 104.6 88.8
92 0 4 2 27.18 54.361 0.297 7.22 4 14.9 0.9
93 1 4 2 27.305 54.609 0.298 7.14 8 38.3 11.7
94 2 1 3 27.351 54.702 0.298 7.11 8 40.1 12.8
95 1 5 1 27.5 54.999 0.3 7.03 8 11.1 1.0
96 2 4 2 27.675 55.35 0.301 6.93 8 84.9 55.9
97 4 5 0 27.824 55.648 0.303 6.84 4 23.7 2.1
98 2 5 1 27.868 55.737 0.303 6.82 8 47.4 17.1
99 6 3 2 27.912 55.823 0.304 6.79 8 9.4 0.7
100 3 1 3 27.966 55.932 0.304 6.76 8 75.4 43.1
101 3 4 2 28.286 56.571 0.308 6.59 8 52.7 20.5
102 0 2 3 28.438 56.877 0.309 6.51 4 183.8 123.2
103 3 5 1 28.476 56.952 0.309 6.49 8 23.3 3.9
104 1 2 3 28.559 57.118 0.31 6.45 8 112.5 91.4
105 10 2 1 28.57 57.141 0.31 6.44 8 25.7 4.8
106 7 4 1 28.637 57.274 0.311 6.41 8 33.9 8.3
107 9 0 2 28.679 57.358 0.312 6.39 4 135.5 65.6
108 8 2 2 28.701 57.403 0.312 6.38 8 32.9 7.7
109 4 1 3 28.813 57.625 0.313 6.32 8 0.2 0.0
110 9 3 1 28.868 57.736 0.313 6.29 8 109.8 85.0
111 2 2 3 28.919 57.838 0.314 6.27 8 7.7 0.4
112 8 4 0 28.953 57.906 0.314 6.25 4 68.5 16.4
113 4 4 2 29.126 58.252 0.316 6.17 8 7.3 0.4
114 9 1 2 29.192 58.385 0.317 6.14 8 50.2 17.3
115 4 5 1 29.313 58.626 0.318 6.08 8 43.6 12.9
116 7 3 2 29.473 58.946 0.319 6.01 8 17.2 2.0
117 3 2 3 29.512 59.025 0.32 5.99 8 26.0 4.5
118 11 1 1 29.537 59.074 0.32 5.98 8 36.6 9.0
119 10 3 0 29.655 59.31 0.321 5.92 4 28.6 2.7
120 5 1 3 29.878 59.756 0.323 5.83 8 24.2 3.8
121 5 4 2 30.185 60.369 0.326 5.69 8 17.9 2.0
122 6 5 0 30.209 60.419 0.327 5.68 4 152.3 73.8
123 12 0 0 30.279 60.558 0.327 5.66 2 177.5 49.9
124 4 2 3 30.331 60.663 0.328 5.63 8 50.1 15.8
125 5 5 1 30.368 60.735 0.328 5.62 8 49.5 15.4
126 8 4 1 30.406 60.813 0.329 5.6 8 18.5 2.2
127 9 2 2 30.7 61.399 0.331 5.48 8 50.1 15.4
128 12 1 0 30.775 61.551 0.332 5.45 4 3.3 0.0
129 10 0 2 30.908 61.817 0.333 5.4 4 29.6 2.6
130 11 2 1 31.034 62.068 0.335 5.35 8 10.7 0.7
131 1 3 3 31.078 62.156 0.335 5.34 8 208.9 260.7
132 10 3 1 31.089 62.178 0.335 5.33 8 188.2 211.6
133 6 1 3 31.15 62.3 0.336 5.31 8 57.1 19.4
134 8 3 2 31.213 62.427 0.336 5.29 8 21.5 2.7
135 5 2 3 31.365 62.731 0.338 5.23 8 49.0 14.0
136 10 1 2 31.399 62.798 0.338 5.22 8 7.9 0.4
137 2 3 3 31.42 62.84 0.338 5.21 8 49.9 14.5
138 6 4 2 31.449 62.899 0.339 5.2 8 54.1 17.0
139 0 6 0 31.503 63.005 0.339 5.18 2 370.5 199.0
140 6 5 1 31.628 63.256 0.34 5.14 8 25.3 3.7
141 1 5 2 31.864 63.728 0.343 5.05 8 4.6 0.1
142 2 6 0 31.955 63.91 0.344 5.02 4 35.9 3.6
143 3 3 3 31.986 63.971 0.344 5.01 8 7.6 0.3
144 12 1 1 32.18 64.359 0.346 4.95 8 33.7 6.3
145 2 5 2 32.202 64.403 0.346 4.94 8 21.0 2.4
146 12 2 0 32.239 64.477 0.346 4.93 4 16.7 0.8
147 9 4 1 32.341 64.682 0.347 4.89 8 22.4 2.7
148 6 2 3 32.604 65.208 0.35 4.81 8 20.9 2.3
149 7 1 3 32.616 65.233 0.35 4.8 8 40.8 9.0
150 3 5 2 32.76 65.52 0.351 4.76 8 120.2 76.9
151 4 3 3 32.769 65.537 0.351 4.76 8 34.3 6.3
152 10 2 2 32.847 65.694 0.352 4.73 8 33.5 5.9
153 0 6 1 32.889 65.779 0.352 4.72 4 35.5 3.3
154 7 4 2 32.908 65.816 0.353 4.71 8 47.7 12.0
155 1 6 1 33.0 66.001 0.354 4.68 8 39.1 8.0
156 10 4 0 33.079 66.159 0.354 4.66 4 52.9 7.3
157 7 5 1 33.083 66.165 0.354 4.66 8 37.9 7.5
158 9 3 2 33.121 66.243 0.355 4.65 8 18.3 1.7
159 11 0 2 33.269 66.538 0.356 4.6 4 198.7 101.7
160 4 6 0 33.292 66.583 0.356 4.6 4 21.5 1.2
161 2 6 1 33.332 66.663 0.357 4.59 8 12.7 0.8
162 8 5 0 33.373 66.747 0.357 4.57 4 29.2 2.2
163 11 3 1 33.442 66.885 0.358 4.55 8 192.6 189.2
164 4 5 2 33.533 67.066 0.359 4.53 8 26.3 3.5
165 12 2 1 33.609 67.219 0.359 4.51 8 30.2 4.6
166 11 1 2 33.741 67.482 0.361 4.47 8 86.7 37.6
167 5 3 3 33.761 67.522 0.361 4.46 8 50.0 12.5
168 3 6 1 33.88 67.76 0.362 4.43 8 37.8 7.1
169 7 2 3 34.036 68.073 0.363 4.39 8 92.3 41.9
170 8 1 3 34.266 68.533 0.365 4.33 8 5.2 0.1
171 0 4 3 34.314 68.629 0.366 4.32 4 132.8 42.6
172 1 4 3 34.423 68.846 0.367 4.29 8 66.3 21.1
173 10 4 1 34.433 68.866 0.367 4.29 8 13.0 0.8
174 5 5 2 34.515 69.03 0.368 4.26 8 43.5 9.0
175 8 4 2 34.551 69.102 0.368 4.26 8 11.4 0.6
176 12 3 0 34.603 69.205 0.369 4.24 4 20.7 1.0
177 4 6 1 34.641 69.282 0.369 4.23 8 15.0 1.1
178 8 5 1 34.721 69.443 0.37 4.21 8 31.1 4.6
179 2 4 3 34.747 69.495 0.37 4.21 8 11.5 0.6
180 13 1 1 34.926 69.852 0.372 4.16 8 18.9 1.7
181 6 3 3 34.955 69.911 0.372 4.16 8 107.7 54.0
182 11 2 2 35.139 70.277 0.374 4.11 8 17.5 1.4
183 10 3 2 35.19 70.381 0.374 4.1 8 6.0 0.2
184 3 4 3 35.286 70.571 0.375 4.08 8 65.2 19.4
185 6 6 0 35.463 70.925 0.377 4.04 4 17.7 0.7
186 5 6 1 35.608 71.217 0.378 4.0 8 3.3 0.0
187 8 2 3 35.655 71.309 0.378 3.99 8 22.9 2.3
188 6 5 2 35.697 71.395 0.379 3.98 8 9.3 0.4
189 12 0 2 35.761 71.522 0.379 3.97 4 50.0 5.6
190 12 3 1 35.929 71.858 0.381 3.93 8 155.4 106.3
191 14 0 0 36.032 72.065 0.382 3.91 2 42.0 1.9
192 4 4 3 36.033 72.066 0.382 3.91 8 55.0 13.3
193 9 1 3 36.092 72.185 0.382 3.9 8 37.8 6.2
194 12 1 2 36.218 72.436 0.384 3.87 8 146.5 93.1
195 0 0 4 36.225 72.45 0.384 3.87 2 48.2 2.5
196 13 2 1 36.303 72.606 0.384 3.86 8 45.1 8.8
197 1 0 4 36.331 72.662 0.385 3.85 4 147.9 47.2
198 7 3 3 36.344 72.688 0.385 3.85 8 67.1 19.4
199 9 4 2 36.371 72.742 0.385 3.84 8 19.8 1.7
200 14 1 0 36.488 72.976 0.386 3.82 4 116.7 29.1
201 9 5 1 36.538 73.075 0.386 3.81 8 21.7 2.0
202 2 0 4 36.648 73.296 0.387 3.79 4 35.9 2.7
203 11 4 1 36.679 73.358 0.388 3.78 8 4.2 0.1
204 6 6 1 36.776 73.552 0.389 3.76 8 19.3 1.6
205 1 1 4 36.785 73.57 0.389 3.76 8 90.9 34.8
206 0 6 2 36.891 73.782 0.39 3.74 4 7.4 0.1
207 5 4 3 36.985 73.97 0.391 3.72 8 40.3 6.8
208 1 6 2 36.996 73.992 0.391 3.72 8 11.8 0.6
209 7 5 2 37.074 74.149 0.391 3.71 8 9.7 0.4
210 2 1 4 37.101 74.202 0.392 3.7 8 14.4 0.9
211 3 0 4 37.175 74.35 0.392 3.69 4 56.5 6.6
212 10 5 0 37.237 74.474 0.393 3.68 4 117.6 28.4
213 2 6 2 37.311 74.623 0.393 3.66 8 167.6 115.2
214 11 3 2 37.417 74.834 0.394 3.64 8 11.5 0.5
215 9 2 3 37.452 74.904 0.395 3.64 8 47.9 9.4
216 12 2 2 37.576 75.152 0.396 3.62 8 19.1 1.5
217 3 1 4 37.625 75.25 0.396 3.61 8 51.7 10.8
218 14 1 1 37.787 75.575 0.398 3.58 8 50.7 10.3
219 12 4 0 37.796 75.591 0.398 3.58 4 0.7 0.0
220 3 6 2 37.835 75.669 0.398 3.57 8 92.2 34.0
221 14 2 0 37.842 75.684 0.398 3.57 4 19.8 0.8
222 4 0 4 37.908 75.815 0.399 3.56 4 123.0 30.1
223 8 3 3 37.92 75.841 0.399 3.56 8 9.7 0.4
224 2 7 0 37.98 75.961 0.399 3.55 4 26.8 1.4
225 0 2 4 38.031 76.062 0.4 3.54 4 18.8 0.7
226 10 1 3 38.09 76.181 0.4 3.53 8 48.4 9.2
227 1 2 4 38.135 76.271 0.401 3.52 8 32.9 4.3
228 6 4 3 38.136 76.273 0.401 3.52 8 12.4 0.6
229 7 6 1 38.138 76.276 0.401 3.52 8 2.2 0.0
230 4 1 4 38.355 76.71 0.403 3.49 8 0.3 0.0
231 10 4 2 38.364 76.727 0.403 3.49 8 0.5 0.0
232 13 0 2 38.391 76.782 0.403 3.48 4 14.7 0.4
233 8 6 0 38.412 76.825 0.403 3.48 4 44.5 3.9
234 2 2 4 38.447 76.895 0.404 3.47 8 0.9 0.0
235 1 5 3 38.517 77.035 0.404 3.46 8 16.8 1.1
236 10 5 1 38.527 77.054 0.404 3.46 8 13.3 0.7
237 13 3 1 38.554 77.109 0.405 3.46 8 50.5 9.8
238 4 6 2 38.563 77.126 0.405 3.45 8 18.0 1.3
239 8 5 2 38.64 77.28 0.405 3.44 8 116.7 52.4
240 2 5 3 38.828 77.657 0.407 3.41 8 46.0 8.1
241 13 1 2 38.837 77.673 0.407 3.41 8 40.3 6.2
242 5 0 4 38.843 77.686 0.407 3.41 4 27.3 1.4
243 1 7 1 38.953 77.905 0.408 3.4 8 20.6 1.6
244 3 2 4 38.965 77.931 0.408 3.39 8 6.8 0.2
245 12 4 1 39.08 78.16 0.409 3.38 8 2.5 0.0
246 14 2 1 39.126 78.252 0.41 3.37 8 27.5 2.9
247 4 7 0 39.225 78.45 0.41 3.36 4 61.2 7.0
248 2 7 1 39.263 78.525 0.411 3.35 8 29.7 3.3
249 5 1 4 39.287 78.574 0.411 3.35 8 84.2 26.6
250 3 5 3 39.345 78.69 0.412 3.34 8 77.4 22.4
251 10 2 3 39.426 78.852 0.412 3.33 8 30.7 3.5
252 7 4 3 39.483 78.966 0.413 3.32 8 52.7 10.3
253 5 6 2 39.494 78.987 0.413 3.32 8 81.7 24.8
254 9 3 3 39.681 79.363 0.414 3.3 8 34.1 4.3
255 4 2 4 39.688 79.375 0.415 3.29 8 17.4 1.1
256 8 6 1 39.69 79.381 0.415 3.29 8 17.7 1.2
257 3 7 1 39.778 79.556 0.415 3.28 8 25.5 2.4
258 12 3 2 39.803 79.606 0.416 3.28 8 6.7 0.2
259 6 0 4 39.977 79.954 0.417 3.26 4 22.1 0.9
260 14 3 0 40.065 80.13 0.418 3.25 4 48.2 4.2
261 4 5 3 40.065 80.131 0.418 3.25 8 14.7 0.8
262 13 2 2 40.165 80.329 0.419 3.23 8 40.6 6.0
263 11 1 3 40.26 80.52 0.419 3.22 8 11.7 0.5
264 1 3 4 40.353 80.706 0.42 3.21 8 4.2 0.1
265 9 5 2 40.392 80.784 0.421 3.21 8 98.8 35.0
266 6 1 4 40.418 80.836 0.421 3.2 8 42.6 6.5
267 4 7 1 40.496 80.992 0.422 3.19 8 29.8 3.2
268 11 4 2 40.529 81.058 0.422 3.19 8 5.2 0.1
269 5 2 4 40.611 81.223 0.423 3.18 8 72.8 18.9
270 6 6 2 40.623 81.246 0.423 3.18 8 12.2 0.5
271 2 3 4 40.66 81.321 0.423 3.18 8 10.6 0.4
272 11 5 1 40.69 81.38 0.423 3.17 8 10.8 0.4
273 15 1 1 40.782 81.563 0.424 3.16 8 40.3 5.7
274 5 5 3 40.987 81.974 0.426 3.14 8 14.1 0.7
275 8 4 3 41.021 82.043 0.426 3.14 8 1.9 0.0
276 14 0 2 41.169 82.338 0.427 3.12 4 3.3 0.0
277 3 3 4 41.171 82.343 0.427 3.12 8 16.6 1.0
278 6 7 0 41.277 82.553 0.428 3.11 4 69.9 8.5
279 7 0 4 41.308 82.615 0.428 3.11 4 46.4 3.7
280 14 3 1 41.33 82.66 0.429 3.1 8 2.0 0.0
281 5 7 1 41.416 82.832 0.429 3.09 8 59.4 12.2
282 9 6 1 41.431 82.862 0.43 3.09 8 10.3 0.4
283 11 2 3 41.577 83.154 0.431 3.08 8 33.1 3.8
284 14 1 2 41.607 83.214 0.431 3.08 8 7.5 0.2
285 10 3 3 41.626 83.252 0.431 3.07 8 80.5 22.3
286 13 4 1 41.643 83.286 0.431 3.07 8 17.0 1.0
287 6 2 4 41.734 83.468 0.432 3.06 8 6.8 0.2
288 7 1 4 41.745 83.491 0.432 3.06 8 56.0 10.7
289 12 5 0 41.775 83.551 0.432 3.06 4 5.5 0.1
290 4 3 4 41.885 83.77 0.433 3.05 8 1.8 0.0
291 7 6 2 41.949 83.899 0.434 3.04 8 40.0 5.5
292 15 2 1 42.096 84.191 0.435 3.03 8 35.9 4.4
293 10 6 0 42.107 84.214 0.435 3.03 4 34.9 2.1
294 6 5 3 42.108 84.216 0.435 3.03 8 33.5 3.8
295 16 0 0 42.243 84.486 0.436 3.02 2 99.8 8.4
296 10 5 2 42.33 84.66 0.437 3.01 8 2.1 0.0
297 13 3 2 42.357 84.713 0.437 3.01 8 1.5 0.0
298 6 7 1 42.535 85.07 0.439 2.99 8 49.4 8.2
299 12 1 3 42.605 85.21 0.439 2.99 8 2.5 0.0
300 16 1 0 42.679 85.359 0.44 2.98 4 7.4 0.1
301 1 7 2 42.747 85.494 0.441 2.97 8 15.1 0.8
302 9 4 3 42.751 85.503 0.441 2.97 8 58.7 11.5
303 5 3 4 42.799 85.598 0.441 2.97 8 8.2 0.2
304 8 0 4 42.833 85.666 0.441 2.97 4 72.3 8.7
305 12 4 2 42.872 85.743 0.442 2.96 8 14.2 0.7
306 14 2 2 42.917 85.834 0.442 2.96 8 35.6 4.2
307 12 5 1 43.031 86.063 0.443 2.95 8 8.0 0.2
308 2 7 2 43.051 86.102 0.443 2.95 8 15.0 0.7
309 7 2 4 43.055 86.109 0.443 2.95 8 35.9 4.3
310 14 4 0 43.13 86.26 0.444 2.94 4 22.4 0.8
311 0 6 3 43.25 86.501 0.445 2.94 4 17.1 0.5
312 8 1 4 43.269 86.537 0.445 2.93 8 9.3 0.3
313 0 4 4 43.313 86.627 0.445 2.93 4 45.1 3.3
314 1 6 3 43.352 86.704 0.446 2.93 8 2.2 0.0
315 10 6 1 43.361 86.723 0.446 2.93 8 6.9 0.2
316 1 4 4 43.415 86.829 0.446 2.92 8 20.1 1.3
317 7 5 3 43.427 86.854 0.446 2.92 8 17.1 1.0
318 8 6 2 43.472 86.944 0.447 2.92 8 22.9 1.7
319 3 7 2 43.558 87.116 0.447 2.91 8 25.1 2.1
320 2 6 3 43.656 87.311 0.448 2.91 8 24.6 2.0
321 2 4 4 43.719 87.437 0.449 2.9 8 3.1 0.0
322 11 3 3 43.758 87.515 0.449 2.9 8 18.7 1.1
323 7 7 1 43.852 87.705 0.45 2.89 8 35.0 4.0
324 12 2 3 43.911 87.823 0.45 2.89 8 46.9 7.1
325 6 3 4 43.914 87.827 0.45 2.89 8 16.2 0.8
326 16 1 1 43.932 87.865 0.45 2.89 8 38.5 4.8
327 16 2 0 43.985 87.971 0.451 2.89 4 72.3 8.4
328 15 0 2 44.114 88.228 0.452 2.88 4 25.2 1.0
329 8 7 0 44.119 88.239 0.452 2.88 4 22.1 0.8
330 3 6 3 44.162 88.324 0.452 2.87 8 10.8 0.4
331 0 8 0 44.164 88.328 0.452 2.87 2 27.5 0.6
332 3 4 4 44.225 88.449 0.453 2.87 8 4.7 0.1
333 4 7 2 44.266 88.533 0.453 2.87 8 25.7 2.1
334 15 3 1 44.273 88.546 0.453 2.87 8 33.2 3.5
335 14 4 1 44.382 88.763 0.454 2.86 8 36.4 4.3
336 11 5 2 44.458 88.916 0.455 2.86 8 65.1 13.6
337 15 1 2 44.549 89.097 0.455 2.85 8 7.6 0.2
338 9 0 4 44.555 89.11 0.455 2.85 4 89.8 12.9
339 2 8 0 44.569 89.137 0.456 2.85 4 36.5 2.1
340 8 2 4 44.573 89.147 0.456 2.85 8 51.9 8.6
341 10 4 3 44.676 89.351 0.456 2.85 8 29.7 2.8
342 4 6 3 44.87 89.74 0.458 2.83 8 14.2 0.6
343 4 4 4 44.933 89.866 0.458 2.83 8 17.7 1.0
344 8 5 3 44.945 89.89 0.459 2.83 8 7.1 0.2
345 9 1 4 44.989 89.979 0.459 2.83 8 30.7 3.0
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 2 0 0 4.821 9.641 9.1662 20.7 2.5 2.5 5.6
2 4 0 0 9.676 19.351 4.5831 31.0 3.7 3.8 5.6
3 0 2 0 10.031 20.062 4.42236 109.4 13.1 13.2 5.6
4 1 1 1 10.17 20.34 4.36248 42.0 5.0 5.1 5.6
5 4 1 0 10.912 21.823 4.06924 15.7 1.9 1.9 5.6
6 2 1 1 11.01 22.02 4.03331 10.5 1.3 1.3 5.6
7 1 2 1 13.428 26.857 3.3169 292.5 35.2 35.2 5.6
8 4 1 1 13.894 27.788 3.20787 158.0 19.0 19.0 5.6
9 4 2 0 14.007 28.014 3.18239 364.1 43.8 43.8 5.6
10 2 2 1 14.085 28.171 3.16512 831.7 100.0 100.0 5.6
11 3 2 1 15.122 30.244 2.95271 320.0 38.5 38.4 5.6
12 6 1 0 15.469 30.939 2.88794 740.9 89.1 88.9 5.6
13 5 1 1 15.736 31.471 2.8403 180.7 21.7 21.7 5.6
14 2 3 0 15.929 31.858 2.80663 13.3 1.6 1.6 5.6
15 4 2 1 16.473 32.947 2.71636 269.7 32.4 32.3 5.6
16 0 0 2 17.186 34.372 2.6069 9.4 1.1 1.1 5.7
17 1 3 1 17.642 35.285 2.54157 358.5 43.1 42.8 5.7
18 6 1 1 17.753 35.505 2.52628 44.1 5.3 5.3 5.7
19 2 0 2 17.89 35.781 2.50746 546.7 65.7 65.3 5.7
20 5 2 1 18.079 36.158 2.48217 250.7 30.1 29.9 5.7
21 2 3 1 18.161 36.322 2.47132 70.7 8.5 8.4 5.7
22 3 0 2 18.738 37.476 2.39782 54.9 6.6 6.5 5.7
23 3 3 1 18.998 37.997 2.36615 48.2 5.8 5.7 5.7
24 3 1 2 19.441 38.882 2.31428 30.2 3.6 3.6 5.7
25 7 1 1 19.905 39.811 2.26241 59.3 7.1 7.1 5.7
26 4 3 1 20.121 40.241 2.23919 9.0 1.1 1.1 5.7
27 5 0 2 21.257 42.514 2.12461 178.7 21.5 21.2 5.7
28 3 2 2 21.434 42.867 2.10791 11.9 1.4 1.4 5.7
29 5 3 1 21.492 42.983 2.10249 100.2 12.0 11.9 5.7
30 7 2 1 21.863 43.726 2.06849 41.9 5.0 5.0 5.7
31 5 1 2 21.892 43.785 2.06584 97.7 11.7 11.6 5.7
32 8 1 1 22.17 44.341 2.04123 39.9 4.8 4.7 5.7
33 1 4 1 22.378 44.756 2.02324 78.3 9.4 9.3 5.7
34 4 4 0 22.754 45.509 1.99151 62.3 7.5 7.4 5.7
35 2 4 1 22.806 45.612 1.98726 123.1 14.8 14.6 5.7
36 6 3 1 23.077 46.155 1.96513 127.1 15.3 15.0 5.7
37 6 1 2 23.457 46.913 1.93511 14.9 1.8 1.8 5.7
38 3 4 1 23.505 47.011 1.93133 13.9 1.7 1.6 5.7
39 8 2 1 23.978 47.957 1.89541 30.8 3.7 3.6 5.7
40 4 4 1 24.459 48.917 1.86041 38.2 4.6 4.5 5.7
41 7 0 2 24.64 49.279 1.84759 17.1 2.1 2.0 5.7
42 6 2 2 25.194 50.387 1.80954 44.0 5.3 5.2 5.8
43 10 1 0 25.411 50.822 1.79509 86.7 10.4 10.2 5.8
44 5 4 1 25.645 51.291 1.77976 62.8 7.5 7.4 5.8
45 2 5 0 26.326 52.652 1.73689 44.9 5.4 5.3 5.8
46 8 3 1 26.785 53.57 1.7093 98.1 11.8 11.5 5.8
47 7 2 2 26.861 53.723 1.70479 45.0 5.4 5.3 5.8
48 6 4 1 27.045 54.089 1.69411 13.6 1.6 1.6 5.8
49 8 1 2 27.125 54.251 1.68943 88.8 10.7 10.4 5.8
50 1 4 2 27.305 54.609 1.67919 11.7 1.4 1.4 5.8
51 2 1 3 27.351 54.702 1.67656 12.8 1.5 1.5 5.8
52 2 4 2 27.675 55.35 1.65845 55.9 6.7 6.5 5.8
53 2 5 1 27.868 55.737 1.64786 17.1 2.1 2.0 5.8
54 3 1 3 27.966 55.932 1.64256 43.1 5.2 5.0 5.8
55 3 4 2 28.286 56.571 1.62552 20.5 2.5 2.4 5.8
56 0 2 3 28.438 56.877 1.61751 123.2 14.8 14.4 5.8
57 1 2 3 28.559 57.118 1.61125 96.2 11.6 11.2 5.8
58 9 0 2 28.679 57.358 1.60507 73.4 8.8 8.6 5.8
59 9 3 1 28.868 57.736 1.59546 85.0 10.2 9.9 5.8
60 8 4 0 28.953 57.906 1.59119 16.4 2.0 1.9 5.8
61 9 1 2 29.192 58.385 1.57927 17.3 2.1 2.0 5.8
62 4 5 1 29.313 58.626 1.57335 12.9 1.6 1.5 5.8
63 11 1 1 29.537 59.074 1.56249 13.5 1.6 1.6 5.8
64 6 5 0 30.209 60.419 1.53088 75.8 9.1 8.8 5.8
65 12 0 0 30.279 60.558 1.5277 49.9 6.0 5.8 5.8
66 4 2 3 30.331 60.663 1.5253 15.8 1.9 1.8 5.8
67 5 5 1 30.368 60.735 1.52366 15.4 1.9 1.8 5.8
68 9 2 2 30.7 61.399 1.50877 15.4 1.9 1.8 5.8
69 1 3 3 31.078 62.156 1.4922 472.3 56.8 54.7 5.8
70 6 1 3 31.15 62.3 1.48909 19.4 2.3 2.2 5.8
71 5 2 3 31.365 62.731 1.4799 14.0 1.7 1.6 5.9
72 6 4 2 31.449 62.899 1.47636 31.6 3.8 3.6 5.9
73 0 6 0 31.503 63.005 1.47412 199.0 23.9 23.0 5.9
74 12 1 1 32.18 64.359 1.44633 8.7 1.0 1.0 5.9
75 7 1 3 32.616 65.233 1.42906 11.3 1.4 1.3 5.9
76 3 5 2 32.76 65.52 1.42349 83.2 10.0 9.6 5.9
77 7 4 2 32.908 65.816 1.4178 15.3 1.8 1.8 5.9
78 7 5 1 33.083 66.165 1.41117 14.8 1.8 1.7 5.9
79 11 0 2 33.269 66.538 1.40416 102.9 12.4 11.8 5.9
80 11 3 1 33.442 66.885 1.39772 189.2 22.7 21.7 5.9
81 11 1 2 33.741 67.482 1.38679 50.1 6.0 5.7 5.9
82 7 2 3 34.036 68.073 1.37619 41.9 5.0 4.8 5.9
83 0 4 3 34.314 68.629 1.36639 42.6 5.1 4.9 5.9
84 1 4 3 34.423 68.846 1.36262 21.9 2.6 2.5 5.9
85 5 5 2 34.515 69.03 1.35943 9.0 1.1 1.0 5.9
86 6 3 3 34.955 69.911 1.34444 55.7 6.7 6.4 5.9
87 3 4 3 35.286 70.571 1.33347 19.4 2.3 2.2 5.9
88 12 3 1 35.929 71.858 1.31272 106.3 12.8 12.1 5.9
89 4 4 3 36.033 72.066 1.30944 15.2 1.8 1.7 5.9
90 12 1 2 36.218 72.436 1.30365 95.6 11.5 10.9 5.9
91 1 0 4 36.331 72.662 1.30017 77.1 9.3 8.8 6.0
92 14 1 0 36.488 72.976 1.29534 29.1 3.5 3.3 6.0
93 1 1 4 36.785 73.57 1.28634 36.4 4.4 4.1 6.0
94 10 5 0 37.237 74.474 1.27296 28.4 3.4 3.2 6.0
95 2 6 2 37.311 74.623 1.27078 115.2 13.8 13.0 6.0
96 9 2 3 37.452 74.904 1.26671 9.4 1.1 1.1 6.0
97 3 1 4 37.625 75.25 1.26173 10.8 1.3 1.2 6.0
98 14 1 1 37.787 75.575 1.25712 10.3 1.2 1.2 6.0
99 3 6 2 37.835 75.669 1.25579 34.8 4.2 3.9 6.0
100 4 0 4 37.908 75.815 1.25373 30.5 3.7 3.4 6.0
101 10 1 3 38.09 76.181 1.24862 9.2 1.1 1.0 6.0
102 13 3 1 38.554 77.109 1.23589 11.1 1.3 1.3 6.0
103 8 5 2 38.64 77.28 1.23358 52.4 6.3 5.9 6.0
104 2 5 3 38.828 77.657 1.22854 15.7 1.9 1.8 6.0
105 5 1 4 39.287 78.574 1.21648 29.9 3.6 3.4 6.0
106 3 5 3 39.345 78.69 1.21497 22.4 2.7 2.5 6.0
107 5 6 2 39.494 78.987 1.21115 35.1 4.2 3.9 6.0
108 9 5 2 40.392 80.784 1.18868 41.6 5.0 4.6 6.1
109 5 2 4 40.611 81.223 1.18336 19.4 2.3 2.2 6.1
110 6 7 0 41.277 82.553 1.16763 8.5 1.0 0.9 6.1
111 5 7 1 41.416 82.832 1.16441 12.6 1.5 1.4 6.1
112 10 3 3 41.626 83.252 1.1596 23.3 2.8 2.6 6.1
113 7 1 4 41.745 83.491 1.15688 10.8 1.3 1.2 6.1
114 15 2 1 42.096 84.191 1.14904 10.2 1.2 1.1 6.1
115 16 0 0 42.243 84.486 1.14577 8.4 1.0 0.9 6.1
116 9 4 3 42.751 85.503 1.13473 11.5 1.4 1.3 6.1
117 8 0 4 42.833 85.666 1.13299 8.7 1.0 1.0 6.1
118 12 2 3 43.911 87.823 1.11064 12.8 1.5 1.4 6.2
119 16 2 0 43.985 87.971 1.10915 8.4 1.0 0.9 6.2
120 11 5 2 44.458 88.916 1.09979 13.6 1.6 1.5 6.2
121 9 0 4 44.555 89.11 1.0979 23.6 2.8 2.6 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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