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
37, t-hypersthene, syn, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite
MgSiO(3)
Orthorhombic P bca Z = 16
R =0.0186 NR =1150
20 .9 .24
Ref.Str.:
G.J. Redhammer, G. Tippelt (2024)
* Minerals, 14, 864, doi.org/10.3390/min14090864
R: Sample MgGe00_1. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.2399 alpha = 90.0
b = 8.8207 beta = 90.0
c = 5.1843 gamma = 90.0
Unit cell volume (cub. angs.) = 834.1
Molar volume ( cub.cm/mol.) = 31.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3758 0.6537 0.8661 0.0 Mg = 1.00
2 0.3768 0.4869 0.3589 0.0 Mg = 1.00
3 0.2717 0.3416 0.0504 0.0 Si = 1.00
4 0.4736 0.3374 0.7983 0.0 Si = 1.00
5 0.1834 0.34 0.0351 0.0 O = 1.00
6 0.3109 0.5026 0.0433 0.0 O = 1.00
7 0.3032 0.2227 0.8315 0.0 O = 1.00
8 0.5625 0.3402 0.8 0.0 O = 1.00
9 0.4328 0.4832 0.6892 0.0 O = 1.00
10 0.4476 0.195 0.6036 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3758 0.6537 0.8661
2 2 0.3768 0.4869 0.3589
3 3 0.2717 0.3416 0.0504
4 4 0.4736 0.3374 0.7983
5 5 0.1834 0.34 0.0351
6 6 0.3109 0.5026 0.0433
7 7 0.3032 0.2227 0.8315
8 8 0.5625 0.3402 0.8
9 9 0.4328 0.4832 0.6892
10 10 0.4476 0.195 0.6036
11 1 0.1242 0.3463 0.3661
12 2 0.1232 0.5131 0.8589
13 3 0.2283 0.6584 0.5504
14 4 0.0264 0.6626 0.2983
15 5 0.3166 0.66 0.5351
16 6 0.1891 0.4974 0.5433
17 7 0.1968 0.7773 0.3315
18 8 0.9375 0.6598 0.3
19 9 0.0672 0.5168 0.1892
20 10 0.0524 0.805 0.1036
21 1 0.1242 0.1537 0.8661
22 2 0.1232 0.9869 0.3589
23 3 0.2283 0.8416 0.0504
24 4 0.0264 0.8374 0.7983
25 5 0.3166 0.84 0.0351
26 6 0.1891 0.0026 0.0433
27 7 0.1968 0.7227 0.8315
28 8 0.9375 0.8402 0.8
29 9 0.0672 0.9832 0.6892
30 10 0.0524 0.695 0.6036
31 1 0.3758 0.8463 0.3661
32 2 0.3768 0.0131 0.8589
33 3 0.2717 0.1584 0.5504
34 4 0.4736 0.1626 0.2983
35 5 0.1834 0.16 0.5351
36 6 0.3109 0.9974 0.5433
37 7 0.3032 0.2773 0.3315
38 8 0.5625 0.1598 0.3
39 9 0.4328 0.0168 0.1892
40 10 0.4476 0.305 0.1036
41 1 0.8758 0.6537 0.6339
42 2 0.8768 0.4869 0.1411
43 3 0.7717 0.3416 0.4496
44 4 0.9736 0.3374 0.7017
45 5 0.6834 0.34 0.4649
46 6 0.8109 0.5026 0.4567
47 7 0.8032 0.2227 0.6685
48 8 0.0625 0.3402 0.7
49 9 0.9328 0.4832 0.8108
50 10 0.9476 0.195 0.8964
51 1 0.6242 0.3463 0.1339
52 2 0.6232 0.5131 0.6411
53 3 0.7283 0.6584 0.9496
54 4 0.5264 0.6626 0.2017
55 5 0.8166 0.66 0.9649
56 6 0.6891 0.4974 0.9567
57 7 0.6968 0.7773 0.1685
58 8 0.4375 0.6598 0.2
59 9 0.5672 0.5168 0.3108
60 10 0.5524 0.805 0.3964
61 1 0.6242 0.1537 0.6339
62 2 0.6232 0.9869 0.1411
63 3 0.7283 0.8416 0.4496
64 4 0.5264 0.8374 0.7017
65 5 0.8166 0.84 0.4649
66 6 0.6891 0.0026 0.4567
67 7 0.6968 0.7227 0.6685
68 8 0.4375 0.8402 0.7
69 9 0.5672 0.9832 0.8108
70 10 0.5524 0.695 0.8964
71 1 0.8758 0.8463 0.1339
72 2 0.8768 0.0131 0.6411
73 3 0.7717 0.1584 0.9496
74 4 0.9736 0.1626 0.2017
75 5 0.6834 0.16 0.9649
76 6 0.8109 0.9974 0.9567
77 7 0.8032 0.2773 0.1685
78 8 0.0625 0.1598 0.2
79 9 0.9328 0.0168 0.3108
80 10 0.9476 0.305 0.3964
X-ray density (g/cm cub.) = 3.2
MU (1/cm) = 101.647 Mass attenuation coefficient (cm**2/g) = 31.798
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0054 6
2.0454 9
2.0282 5
2.1527 5
2.0654 8
2.1712 8
2 Mg 2.52 6
2.035 6
1.9941 9
2.0908 5
2.2892 7
2.4482 10
2.0568 8
3 Si 2.1 4
1.6126 5
1.5904 6
1.6486 7
1.666 7
4 Si 2.1 4
1.6217 8
1.5899 9
1.6797 10
1.6768 10
5 O 3.264 11
2.7326 6
2.6381 7
2.9799 6
2.905 6
2.75 9
2.9782 6
3.0398 5
3.0398 5
2.728 7
2.8073 8
2.8496 8
6 O 3.264 10
2.7326 5
2.7057 7
2.8884 9
2.905 5
2.9799 5
2.9782 5
3.0506 7
2.4903 7
3.0582 10
2.8133 8
7 O 3.264 9
2.6381 5
2.7057 6
2.897 10
3.0506 6
2.728 5
2.4903 6
2.6365 7
2.6365 7
3.0747 10
8 O 3.264 12
2.7418 9
2.6588 10
3.0416 8
3.0416 8
2.6393 10
2.8073 5
2.8133 6
3.0735 9
2.9776 9
3.1507 9
3.1746 10
2.8496 5
9 O 3.264 10
2.8884 6
2.7418 8
2.5947 10
2.75 5
2.6756 10
3.0735 8
2.9776 8
3.1537 9
3.1507 8
3.0664 10
10 O 3.264 11
2.897 7
2.6588 8
2.5947 9
3.0582 6
3.0747 7
2.6393 8
2.6756 9
2.7678 10
2.7678 10
3.1746 8
3.0664 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 4.845 9.69 0.055 277.38 2 0.3 0.0
2 2 1 0 6.978 13.956 0.079 132.55 4 11.7 10.4
3 4 0 0 9.725 19.45 0.11 67.17 2 9.5 1.7
4 0 2 0 10.058 20.117 0.113 62.65 2 63.5 72.7
5 1 1 1 10.221 20.441 0.115 60.61 8 17.2 20.7
6 4 1 0 10.962 21.924 0.123 52.41 4 11.3 3.8
7 2 1 1 11.065 22.13 0.125 51.4 8 16.7 16.4
8 2 2 0 11.187 22.373 0.126 50.24 4 0.4 0.0
9 3 1 1 12.351 24.702 0.139 40.84 8 4.4 0.9
10 0 2 1 13.256 26.512 0.149 35.19 4 4.1 0.3
11 1 2 1 13.483 26.966 0.151 33.94 8 73.7 211.8
12 4 1 1 13.965 27.929 0.157 31.51 8 58.1 122.3
13 4 2 0 14.062 28.125 0.158 31.04 4 132.2 311.8
14 2 2 1 14.144 28.288 0.159 30.66 8 132.7 621.0
15 6 0 0 14.678 29.356 0.164 28.33 2 20.8 3.5
16 3 2 1 15.187 30.374 0.17 26.34 8 99.6 300.6
17 6 1 0 15.546 31.092 0.174 25.05 4 200.9 581.2
18 5 1 1 15.816 31.633 0.177 24.13 8 73.5 149.8
19 2 3 0 15.977 31.955 0.179 23.61 4 34.7 16.3
20 4 2 1 16.547 33.094 0.185 21.89 8 87.1 190.8
21 0 0 2 17.287 34.574 0.193 19.9 2 24.9 3.6
22 1 0 2 17.466 34.933 0.195 19.46 4 19.1 4.1
23 1 3 1 17.706 35.411 0.197 18.89 8 117.2 298.3
24 6 1 1 17.845 35.689 0.199 18.57 8 35.0 26.1
25 6 2 0 17.923 35.847 0.2 18.39 4 14.1 2.1
26 2 0 2 17.995 35.989 0.201 18.23 4 198.7 414.0
27 5 2 1 18.162 36.325 0.202 17.86 8 93.8 180.6
28 4 3 0 18.163 36.326 0.202 17.86 4 29.7 9.1
29 1 1 2 18.215 36.431 0.203 17.75 8 6.4 0.8
30 2 3 1 18.228 36.456 0.203 17.72 8 52.2 55.4
31 2 1 2 18.725 37.451 0.208 16.7 8 12.3 2.9
32 3 0 2 18.847 37.694 0.21 16.47 4 70.4 46.9
33 3 3 1 19.071 38.142 0.212 16.04 8 44.4 36.3
34 3 1 2 19.55 39.101 0.217 15.18 8 23.9 10.0
35 8 0 0 19.746 39.491 0.219 14.85 2 52.5 11.8
36 6 2 1 19.983 39.965 0.222 14.46 8 14.3 3.4
37 4 0 2 19.988 39.975 0.222 14.46 4 23.6 4.6
38 7 1 1 20.01 40.02 0.222 14.42 8 47.6 37.5
39 0 2 2 20.162 40.325 0.224 14.18 4 9.1 0.7
40 4 3 1 20.201 40.402 0.224 14.12 8 40.7 26.9
41 1 2 2 20.32 40.64 0.225 13.93 8 1.6 0.0
42 8 1 0 20.423 40.846 0.227 13.78 4 0.4 0.0
43 0 4 0 20.445 40.89 0.227 13.75 2 15.0 0.9
44 4 1 2 20.658 41.317 0.229 13.43 8 29.1 13.1
45 2 2 2 20.786 41.572 0.23 13.25 8 3.4 0.2
46 2 4 0 21.062 42.123 0.233 12.86 4 16.9 2.1
47 6 3 0 21.375 42.75 0.237 12.44 4 38.9 10.8
48 5 0 2 21.379 42.758 0.237 12.44 4 165.9 196.9
49 3 2 2 21.545 43.09 0.238 12.22 8 36.9 19.1
50 5 3 1 21.581 43.163 0.239 12.18 8 97.4 133.0
51 7 2 1 21.97 43.94 0.243 11.7 8 55.5 41.4
52 5 1 2 22.015 44.03 0.243 11.64 8 79.3 84.3
53 8 1 1 22.288 44.576 0.246 11.33 8 42.0 23.0
54 0 4 1 22.308 44.617 0.246 11.3 4 15.0 1.5
55 8 2 0 22.353 44.707 0.247 11.25 4 36.0 8.4
56 1 4 1 22.454 44.907 0.248 11.14 8 69.6 62.1
57 4 2 2 22.572 45.145 0.249 11.01 8 20.0 5.1
58 4 4 0 22.831 45.661 0.252 10.73 4 79.3 38.8
59 2 4 1 22.885 45.769 0.252 10.67 8 83.0 84.6
60 6 0 2 22.987 45.974 0.253 10.56 4 10.9 0.7
61 6 3 1 23.178 46.356 0.255 10.37 8 120.3 172.6
62 1 3 2 23.478 46.956 0.259 10.07 8 7.0 0.6
63 6 1 2 23.589 47.177 0.26 9.96 8 21.3 5.2
64 3 4 1 23.589 47.178 0.26 9.96 8 30.8 10.9
65 5 2 2 23.842 47.684 0.262 9.72 8 5.6 0.4
66 2 3 2 23.895 47.789 0.263 9.68 8 0.9 0.0
67 8 2 1 24.099 48.198 0.265 9.49 8 57.8 36.4
68 4 4 1 24.55 49.099 0.27 9.1 8 36.8 14.1
69 3 3 2 24.577 49.154 0.27 9.08 8 34.3 12.3
70 9 1 1 24.666 49.331 0.271 9.0 8 17.7 3.2
71 7 0 2 24.781 49.562 0.272 8.91 4 82.0 34.4
72 7 3 1 24.962 49.924 0.274 8.76 8 2.4 0.1
73 10 0 0 24.98 49.96 0.274 8.75 2 7.0 0.1
74 8 3 0 25.31 50.62 0.278 8.49 4 3.4 0.1
75 6 2 2 25.328 50.656 0.278 8.48 8 62.1 37.5
76 7 1 2 25.351 50.701 0.278 8.46 8 6.5 0.4
77 4 3 2 25.51 51.019 0.28 8.34 8 26.3 6.6
78 10 1 0 25.546 51.092 0.28 8.31 4 102.0 49.7
79 6 4 0 25.565 51.129 0.28 8.3 4 10.7 0.5
80 5 4 1 25.745 51.49 0.282 8.17 8 72.7 49.6
81 9 2 1 26.352 52.704 0.288 7.74 8 1.3 0.0
82 2 5 0 26.406 52.812 0.289 7.71 4 117.0 60.7
83 5 3 2 26.674 53.348 0.291 7.53 8 23.5 4.8
84 8 0 2 26.74 53.479 0.292 7.49 4 7.2 0.2
85 8 3 1 26.911 53.821 0.294 7.38 8 81.7 56.7
86 7 2 2 27.006 54.012 0.295 7.32 8 66.2 36.9
87 10 1 1 27.137 54.274 0.296 7.24 8 9.4 0.7
88 1 1 3 27.14 54.281 0.296 7.24 8 8.7 0.6
89 6 4 1 27.154 54.309 0.296 7.23 8 27.7 6.4
90 10 2 0 27.193 54.387 0.297 7.21 4 22.2 2.0
91 8 1 2 27.279 54.559 0.298 7.16 8 80.2 52.9
92 0 4 2 27.297 54.594 0.298 7.15 4 17.6 1.3
93 1 4 2 27.422 54.844 0.299 7.07 8 37.8 11.6
94 2 1 3 27.516 55.032 0.3 7.02 8 40.9 13.5
95 1 5 1 27.59 55.181 0.301 6.97 8 9.6 0.7
96 2 4 2 27.795 55.591 0.303 6.86 8 67.5 35.9
97 4 5 0 27.916 55.831 0.304 6.79 4 8.8 0.3
98 2 5 1 27.962 55.924 0.304 6.77 8 48.0 17.9
99 6 3 2 28.051 56.102 0.305 6.72 8 8.3 0.5
100 3 1 3 28.135 56.27 0.306 6.67 8 60.6 28.2
101 3 4 2 28.41 56.821 0.309 6.53 8 46.9 16.5
102 3 5 1 28.575 57.149 0.31 6.44 8 23.7 4.2
103 0 2 3 28.603 57.205 0.311 6.43 4 178.8 118.1
104 10 2 1 28.721 57.442 0.312 6.37 8 26.3 5.1
105 1 2 3 28.724 57.448 0.312 6.37 8 104.9 80.5
106 7 4 1 28.759 57.517 0.312 6.35 8 32.3 7.6
107 9 0 2 28.846 57.691 0.313 6.31 4 116.6 49.3
108 8 2 2 28.858 57.716 0.313 6.3 8 25.9 4.9
109 4 1 3 28.987 57.973 0.315 6.24 8 1.3 0.0
110 9 3 1 29.008 58.017 0.315 6.23 8 104.0 77.4
111 8 4 0 29.075 58.15 0.315 6.19 4 64.9 15.0
112 2 2 3 29.086 58.173 0.316 6.19 8 4.7 0.2
113 4 4 2 29.257 58.514 0.317 6.11 8 3.7 0.1
114 9 1 2 29.36 58.719 0.318 6.06 8 48.3 16.3
115 4 5 1 29.418 58.836 0.319 6.03 8 40.1 11.1
116 7 3 2 29.623 59.246 0.321 5.94 8 15.7 1.7
117 3 2 3 29.684 59.368 0.321 5.91 8 7.6 0.4
118 11 1 1 29.701 59.402 0.322 5.9 8 28.7 5.6
119 10 3 0 29.799 59.599 0.323 5.86 4 21.5 1.6
120 5 1 3 30.059 60.118 0.325 5.75 8 19.2 2.4
121 6 5 0 30.32 60.64 0.328 5.64 4 120.0 46.7
122 5 4 2 30.323 60.647 0.328 5.64 8 14.2 1.3
123 12 0 0 30.449 60.897 0.329 5.59 2 170.8 46.9
124 5 5 1 30.481 60.962 0.329 5.57 8 47.6 14.5
125 4 2 3 30.508 61.016 0.33 5.56 8 36.1 8.3
126 8 4 1 30.541 61.083 0.33 5.55 8 16.3 1.7
127 9 2 2 30.87 61.74 0.333 5.42 8 57.6 20.7
128 12 1 0 30.946 61.893 0.334 5.39 4 6.1 0.1
129 10 0 2 31.09 62.179 0.335 5.33 4 29.6 2.7
130 11 2 1 31.201 62.403 0.336 5.29 8 17.4 1.8
131 10 3 1 31.245 62.49 0.337 5.27 8 163.0 161.2
132 1 3 3 31.248 62.497 0.337 5.27 8 179.0 194.3
133 6 1 3 31.339 62.679 0.338 5.24 8 49.7 14.9
134 8 3 2 31.376 62.752 0.338 5.23 8 17.9 1.9
135 5 2 3 31.549 63.099 0.34 5.16 8 35.9 7.6
136 10 1 2 31.581 63.163 0.34 5.15 8 11.2 0.7
137 2 3 3 31.593 63.186 0.34 5.15 8 65.4 25.3
138 6 4 2 31.597 63.195 0.34 5.15 8 43.7 11.3
139 0 6 0 31.598 63.196 0.34 5.15 2 333.7 164.7
140 6 5 1 31.752 63.503 0.342 5.09 8 20.8 2.5
141 1 5 2 31.995 63.99 0.344 5.01 8 8.2 0.4
142 2 6 0 32.054 64.109 0.344 4.99 4 21.1 1.3
143 3 3 3 32.162 64.325 0.346 4.95 8 11.3 0.7
144 2 5 2 32.335 64.67 0.347 4.89 8 21.6 2.6
145 12 1 1 32.362 64.724 0.347 4.89 8 21.9 2.7
146 12 2 0 32.413 64.826 0.348 4.87 4 13.4 0.5
147 9 4 1 32.491 64.982 0.349 4.84 8 14.8 1.2
148 6 2 3 32.796 65.593 0.352 4.75 8 21.7 2.6
149 7 1 3 32.816 65.631 0.352 4.74 8 33.5 6.1
150 3 5 2 32.898 65.795 0.353 4.72 8 107.1 62.2
151 4 3 3 32.951 65.902 0.353 4.7 8 28.0 4.2
152 0 6 1 32.999 65.997 0.354 4.69 4 29.1 2.3
153 10 2 2 33.032 66.065 0.354 4.67 8 35.8 6.9
154 7 4 2 33.067 66.135 0.354 4.66 8 38.4 7.9
155 1 6 1 33.11 66.221 0.355 4.65 8 33.3 5.9
156 7 5 1 33.218 66.436 0.356 4.62 8 38.8 8.0
157 10 4 0 33.233 66.466 0.356 4.61 4 45.0 5.4
158 9 3 2 33.298 66.596 0.356 4.6 8 19.3 2.0
159 4 6 0 33.402 66.805 0.357 4.57 4 1.1 0.0
160 2 6 1 33.444 66.889 0.358 4.55 8 6.4 0.2
161 11 0 2 33.467 66.933 0.358 4.55 4 179.5 84.2
162 8 5 0 33.509 67.019 0.358 4.53 4 14.6 0.6
163 11 3 1 33.616 67.232 0.359 4.5 8 181.8 171.1
164 4 5 2 33.677 67.354 0.36 4.49 8 9.7 0.5
165 12 2 1 33.795 67.591 0.361 4.45 8 37.2 7.1
166 11 1 2 33.94 67.88 0.362 4.42 8 89.1 40.3
167 5 3 3 33.951 67.902 0.363 4.41 8 54.2 14.9
168 3 6 1 33.998 67.995 0.363 4.4 8 37.1 6.9
169 7 2 3 34.239 68.478 0.365 4.34 8 67.4 22.7
170 8 1 3 34.477 68.955 0.367 4.27 8 8.4 0.3
171 0 4 3 34.493 68.985 0.368 4.27 4 126.7 39.4
172 10 4 1 34.599 69.198 0.369 4.24 8 11.5 0.6
173 1 4 3 34.602 69.204 0.369 4.24 8 60.9 18.1
174 5 5 2 34.667 69.334 0.369 4.23 8 37.4 6.8
175 8 4 2 34.723 69.446 0.37 4.21 8 9.9 0.5
176 4 6 1 34.765 69.53 0.37 4.2 8 11.2 0.6
177 12 3 0 34.784 69.567 0.37 4.2 4 21.0 1.1
178 8 5 1 34.87 69.74 0.371 4.18 8 26.0 3.2
179 2 4 3 34.929 69.859 0.372 4.16 8 8.8 0.4
180 13 1 1 35.128 70.257 0.374 4.11 8 17.5 1.4
181 6 3 3 35.154 70.308 0.374 4.11 8 100.4 47.6
182 11 2 2 35.341 70.683 0.375 4.06 8 11.3 0.6
183 10 3 2 35.382 70.765 0.376 4.06 8 7.2 0.2
184 3 4 3 35.472 70.943 0.377 4.04 8 50.5 11.8
185 6 6 0 35.592 71.184 0.378 4.01 4 19.6 0.9
186 5 6 1 35.741 71.481 0.379 3.98 8 3.3 0.0
187 6 5 2 35.859 71.718 0.38 3.95 8 2.4 0.0
188 8 2 3 35.869 71.739 0.38 3.95 8 19.2 1.7
189 12 0 2 35.977 71.955 0.381 3.92 4 35.6 2.9
190 12 3 1 36.122 72.244 0.383 3.89 8 138.4 85.8
191 4 4 3 36.225 72.45 0.384 3.87 8 48.3 10.4
192 14 0 0 36.244 72.488 0.384 3.87 2 32.0 1.1
193 9 1 3 36.317 72.634 0.384 3.85 8 31.0 4.3
194 12 1 2 36.436 72.871 0.386 3.83 8 128.9 73.2
195 0 0 4 36.464 72.928 0.386 3.82 2 56.3 3.5
196 13 2 1 36.51 73.019 0.386 3.81 8 40.2 7.1
197 7 3 3 36.553 73.106 0.387 3.81 8 56.0 13.7
198 9 4 2 36.558 73.115 0.387 3.81 8 12.2 0.7
199 1 0 4 36.571 73.142 0.387 3.8 4 134.1 39.3
200 14 1 0 36.701 73.402 0.388 3.78 4 99.0 21.3
201 9 5 1 36.701 73.403 0.388 3.78 8 25.1 2.7
202 11 4 1 36.863 73.726 0.389 3.75 8 8.8 0.3
203 2 0 4 36.891 73.781 0.39 3.74 4 20.0 0.9
204 6 6 1 36.918 73.837 0.39 3.74 8 16.1 1.1
205 1 1 4 37.026 74.053 0.391 3.71 8 76.8 25.2
206 0 6 2 37.039 74.078 0.391 3.71 4 2.1 0.0
207 1 6 2 37.145 74.29 0.392 3.69 8 11.7 0.6
208 5 4 3 37.185 74.369 0.392 3.69 8 29.9 3.8
209 7 5 2 37.247 74.495 0.393 3.67 8 17.7 1.3
210 2 1 4 37.345 74.689 0.394 3.66 8 13.5 0.8
211 10 5 0 37.405 74.81 0.394 3.65 4 90.2 17.1
212 3 0 4 37.421 74.843 0.394 3.64 4 64.5 8.7
213 2 6 2 37.463 74.926 0.395 3.64 8 146.7 90.0
214 11 3 2 37.627 75.254 0.396 3.61 8 13.1 0.7
215 9 2 3 37.681 75.362 0.397 3.6 8 33.1 4.5
216 12 2 2 37.798 75.596 0.398 3.58 8 15.5 1.0
217 3 1 4 37.873 75.746 0.399 3.57 8 39.1 6.3
218 12 4 0 37.987 75.975 0.4 3.55 4 8.0 0.1
219 3 6 2 37.991 75.982 0.4 3.55 8 90.0 33.0
220 14 1 1 38.013 76.025 0.4 3.54 8 42.9 7.5
221 14 2 0 38.06 76.12 0.4 3.53 4 14.8 0.4
222 2 7 0 38.104 76.208 0.401 3.53 4 21.3 0.9
223 8 3 3 38.143 76.285 0.401 3.52 8 6.4 0.2
224 4 0 4 38.16 76.32 0.401 3.52 4 118.8 28.6
225 0 2 4 38.276 76.552 0.402 3.5 4 16.1 0.5
226 7 6 1 38.292 76.585 0.402 3.5 8 4.9 0.1
227 10 1 3 38.331 76.662 0.403 3.49 8 42.6 7.3
228 6 4 3 38.346 76.691 0.403 3.49 8 11.9 0.6
229 1 2 4 38.381 76.762 0.403 3.48 8 31.7 4.0
230 10 4 2 38.567 77.133 0.405 3.45 8 0.1 0.0
231 8 6 0 38.567 77.135 0.405 3.45 4 40.9 3.3
232 4 1 4 38.609 77.217 0.405 3.45 8 2.4 0.0
233 13 0 2 38.628 77.256 0.405 3.44 4 1.4 0.0
234 2 2 4 38.695 77.391 0.406 3.43 8 3.6 0.1
235 10 5 1 38.708 77.416 0.406 3.43 8 18.3 1.3
236 1 5 3 38.711 77.422 0.406 3.43 8 22.4 2.0
237 4 6 2 38.726 77.452 0.406 3.43 8 17.4 1.2
238 13 3 1 38.769 77.538 0.406 3.42 8 42.5 7.1
239 8 5 2 38.827 77.654 0.407 3.41 8 94.6 35.1
240 2 5 3 39.025 78.049 0.409 3.39 8 50.8 10.1
241 13 1 2 39.075 78.15 0.409 3.38 8 30.1 3.5
242 1 7 1 39.087 78.174 0.409 3.38 8 11.6 0.5
243 5 0 4 39.103 78.205 0.409 3.37 4 16.2 0.5
244 3 2 4 39.218 78.436 0.41 3.36 8 3.7 0.1
245 12 4 1 39.284 78.569 0.411 3.35 8 8.4 0.3
246 14 2 1 39.356 78.712 0.412 3.34 8 12.7 0.6
247 4 7 0 39.36 78.721 0.412 3.34 4 53.3 5.5
248 2 7 1 39.4 78.8 0.412 3.33 8 25.2 2.4
249 3 5 3 39.546 79.092 0.413 3.31 8 69.2 18.2
250 5 1 4 39.548 79.097 0.413 3.31 8 66.7 17.0
251 5 6 2 39.665 79.33 0.414 3.3 8 84.2 26.9
252 10 2 3 39.671 79.342 0.414 3.3 8 27.7 2.9
253 7 4 3 39.703 79.407 0.415 3.29 8 35.0 4.6
254 8 6 1 39.859 79.717 0.416 3.27 8 17.5 1.2
255 9 3 3 39.918 79.837 0.417 3.27 8 24.1 2.2
256 3 7 1 39.92 79.839 0.417 3.26 8 30.0 3.4
257 4 2 4 39.946 79.892 0.417 3.26 8 21.5 1.7
258 12 3 2 40.033 80.067 0.418 3.25 8 1.5 0.0
259 6 0 4 40.247 80.493 0.419 3.22 4 20.2 0.8
260 4 5 3 40.273 80.545 0.42 3.22 8 15.7 0.9
261 14 3 0 40.291 80.582 0.42 3.22 4 45.3 3.8
262 13 2 2 40.408 80.817 0.421 3.2 8 35.6 4.7
263 11 1 3 40.518 81.037 0.422 3.19 8 12.5 0.6
264 9 5 2 40.594 81.188 0.422 3.18 8 100.9 37.3
265 1 3 4 40.607 81.214 0.422 3.18 8 9.9 0.4
266 4 7 1 40.645 81.29 0.423 3.18 8 21.3 1.7
267 6 1 4 40.689 81.378 0.423 3.17 8 48.3 8.5
268 11 4 2 40.751 81.502 0.424 3.17 8 4.6 0.1
269 6 6 2 40.805 81.609 0.424 3.16 8 1.0 0.0
270 5 2 4 40.878 81.756 0.425 3.15 8 66.4 16.0
271 11 5 1 40.89 81.78 0.425 3.15 8 9.4 0.3
272 2 3 4 40.917 81.834 0.425 3.15 8 11.4 0.5
273 15 1 1 41.032 82.064 0.426 3.13 8 33.5 4.0
274 5 5 3 41.203 82.405 0.428 3.12 8 11.8 0.5
275 8 4 3 41.256 82.511 0.428 3.11 8 1.5 0.0
276 14 0 2 41.43 82.86 0.43 3.09 4 9.9 0.2
277 6 7 0 41.431 82.862 0.43 3.09 4 54.2 5.2
278 3 3 4 41.433 82.865 0.43 3.09 8 12.3 0.5
279 14 3 1 41.569 83.138 0.431 3.08 8 10.2 0.4
280 5 7 1 41.573 83.146 0.431 3.08 8 51.3 9.3
281 7 0 4 41.589 83.177 0.431 3.08 4 40.5 2.9
282 9 6 1 41.615 83.231 0.431 3.07 8 13.8 0.7
283 11 2 3 41.841 83.682 0.433 3.05 8 17.5 1.1
284 14 1 2 41.87 83.74 0.433 3.05 8 6.6 0.2
285 13 4 1 41.87 83.741 0.433 3.05 8 12.1 0.5
286 10 3 3 41.88 83.76 0.433 3.05 8 68.1 16.3
287 12 5 0 41.984 83.968 0.434 3.04 4 12.6 0.3
288 6 2 4 42.011 84.021 0.434 3.04 8 3.8 0.1
289 7 1 4 42.028 84.057 0.435 3.04 8 56.3 11.0
290 7 6 2 42.143 84.287 0.436 3.03 8 54.5 10.3
291 4 3 4 42.152 84.305 0.436 3.02 8 1.7 0.0
292 10 6 0 42.296 84.592 0.437 3.01 4 26.7 1.2
293 6 5 3 42.334 84.668 0.437 3.01 8 32.6 3.7
294 15 2 1 42.352 84.704 0.437 3.01 8 31.6 3.5
295 16 0 0 42.508 85.015 0.439 2.99 2 119.3 12.2
296 10 5 2 42.55 85.1 0.439 2.99 8 4.0 0.1
297 13 3 2 42.61 85.22 0.439 2.99 8 0.4 0.0
298 6 7 1 42.703 85.405 0.44 2.98 8 38.4 5.0
299 12 1 3 42.885 85.77 0.442 2.96 8 4.1 0.1
300 1 7 2 42.922 85.843 0.442 2.96 8 8.7 0.3
301 16 1 0 42.946 85.892 0.442 2.96 4 5.6 0.1
302 9 4 3 43.002 86.004 0.443 2.95 8 46.3 7.3
303 5 3 4 43.075 86.15 0.443 2.95 8 10.1 0.3
304 12 4 2 43.115 86.231 0.444 2.95 8 10.3 0.4
305 8 0 4 43.128 86.256 0.444 2.94 4 81.8 11.3
306 14 2 2 43.186 86.371 0.444 2.94 8 31.0 3.2
307 2 7 2 43.229 86.458 0.445 2.94 8 12.2 0.5
308 12 5 1 43.253 86.507 0.445 2.94 8 3.3 0.0
309 7 2 4 43.343 86.687 0.446 2.93 8 29.8 3.0
310 14 4 0 43.37 86.74 0.446 2.93 4 13.9 0.3
311 0 6 3 43.465 86.929 0.447 2.92 4 7.6 0.1
312 10 6 1 43.564 87.128 0.447 2.91 8 6.8 0.2
313 8 1 4 43.566 87.131 0.447 2.91 8 3.9 0.1
314 1 6 3 43.567 87.134 0.447 2.91 8 5.4 0.1
315 0 4 4 43.58 87.16 0.447 2.91 4 42.4 3.0
316 7 5 3 43.666 87.331 0.448 2.91 8 15.9 0.8
317 8 6 2 43.68 87.361 0.448 2.91 8 19.1 1.2
318 1 4 4 43.682 87.365 0.448 2.9 8 14.2 0.7
319 3 7 2 43.74 87.481 0.449 2.9 8 17.8 1.1
320 2 6 3 43.874 87.748 0.45 2.89 8 27.4 2.5
321 2 4 4 43.989 87.978 0.451 2.89 8 1.2 0.0
322 11 3 3 44.032 88.064 0.451 2.88 8 17.5 1.0
323 7 7 1 44.033 88.067 0.451 2.88 8 30.6 3.1
324 12 2 3 44.198 88.395 0.453 2.87 8 47.6 7.5
325 6 3 4 44.201 88.401 0.453 2.87 8 17.1 1.0
326 16 1 1 44.212 88.425 0.453 2.87 8 33.7 3.8
327 16 2 0 44.258 88.517 0.453 2.87 4 65.4 7.1
328 8 7 0 44.301 88.603 0.453 2.87 4 13.7 0.3
329 0 8 0 44.316 88.631 0.453 2.87 2 30.5 0.8
330 3 6 3 44.385 88.77 0.454 2.86 8 6.9 0.2
331 15 0 2 44.402 88.805 0.454 2.86 4 29.8 1.5
332 4 7 2 44.456 88.912 0.455 2.86 8 19.6 1.3
333 3 4 4 44.5 89.001 0.455 2.85 8 7.8 0.2
334 15 3 1 44.54 89.081 0.455 2.85 8 22.8 1.7
335 14 4 1 44.636 89.271 0.456 2.85 8 26.0 2.2
336 11 5 2 44.699 89.398 0.457 2.84 8 64.7 13.7
337 2 8 0 44.724 89.449 0.457 2.84 4 34.4 1.9
338 15 1 2 44.839 89.679 0.458 2.84 8 1.9 0.0
339 9 0 4 44.866 89.733 0.458 2.84 4 60.4 6.0
340 8 2 4 44.877 89.754 0.458 2.83 8 53.2 9.2
341 10 4 3 44.945 89.89 0.459 2.83 8 27.8 2.5
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 1 0 6.978 13.956 6.34033 10.4 1.7 1.7 5.6
2 0 2 0 10.058 20.117 4.41035 72.7 11.7 11.8 5.6
3 1 1 1 10.221 20.441 4.34106 20.7 3.3 3.4 5.6
4 2 1 1 11.065 22.13 4.01343 16.4 2.6 2.7 5.6
5 1 2 1 13.483 26.966 3.30368 211.8 34.1 34.1 5.6
6 4 1 1 13.965 27.929 3.19192 122.3 19.7 19.7 5.6
7 4 2 0 14.062 28.125 3.17017 311.8 50.2 50.2 5.6
8 2 2 1 14.144 28.288 3.1522 621.0 100.0 100.0 5.6
9 3 2 1 15.187 30.374 2.9403 300.6 48.4 48.3 5.6
10 6 1 0 15.546 31.092 2.87408 581.2 93.6 93.4 5.6
11 5 1 1 15.816 31.633 2.82613 149.8 24.1 24.1 5.6
12 2 3 0 15.977 31.955 2.7984 16.3 2.6 2.6 5.6
13 4 2 1 16.547 33.094 2.70458 190.8 30.7 30.6 5.6
14 1 3 1 17.706 35.411 2.53277 298.3 48.0 47.7 5.7
15 6 1 1 17.845 35.689 2.51365 26.1 4.2 4.2 5.7
16 2 0 2 17.995 35.989 2.49339 414.0 66.7 66.2 5.7
17 5 2 1 18.162 36.325 2.47112 189.6 30.5 30.3 5.7
18 2 3 1 18.228 36.456 2.46255 55.4 8.9 8.9 5.7
19 3 0 2 18.847 37.694 2.38448 46.9 7.6 7.5 5.7
20 3 3 1 19.071 38.142 2.35746 36.3 5.8 5.8 5.7
21 3 1 2 19.55 39.101 2.30186 10.0 1.6 1.6 5.7
22 8 0 0 19.746 39.491 2.27999 11.8 1.9 1.9 5.7
23 7 1 1 20.01 40.02 2.25108 45.5 7.3 7.3 5.7
24 4 3 1 20.201 40.402 2.23065 26.9 4.3 4.3 5.7
25 4 1 2 20.658 41.317 2.18337 13.1 2.1 2.1 5.7
26 5 0 2 21.379 42.758 2.11302 207.7 33.4 33.0 5.7
27 3 2 2 21.545 43.09 2.09754 19.1 3.1 3.0 5.7
28 5 3 1 21.581 43.163 2.09416 133.0 21.4 21.1 5.7
29 7 2 1 21.97 43.94 2.0589 41.4 6.7 6.6 5.7
30 5 1 2 22.015 44.03 2.05489 84.3 13.6 13.4 5.7
31 8 1 1 22.288 44.576 2.03099 24.5 3.9 3.9 5.7
32 8 2 0 22.353 44.707 2.02536 8.4 1.3 1.3 5.7
33 1 4 1 22.454 44.907 2.01679 62.1 10.0 9.8 5.7
34 4 4 0 22.831 45.661 1.98522 38.8 6.2 6.1 5.7
35 2 4 1 22.885 45.769 1.98079 84.6 13.6 13.4 5.7
36 6 3 1 23.178 46.356 1.95707 172.6 27.8 27.3 5.7
37 3 4 1 23.589 47.178 1.92485 16.1 2.6 2.5 5.7
38 8 2 1 24.099 48.198 1.8865 36.4 5.9 5.8 5.7
39 4 4 1 24.55 49.099 1.85395 26.4 4.3 4.2 5.7
40 7 0 2 24.781 49.562 1.8377 34.4 5.5 5.4 5.7
41 6 2 2 25.328 50.656 1.80058 38.0 6.1 6.0 5.8
42 4 3 2 25.51 51.019 1.78859 6.6 1.1 1.0 5.8
43 10 1 0 25.546 51.092 1.7862 50.2 8.1 7.9 5.8
44 5 4 1 25.745 51.49 1.77333 49.6 8.0 7.8 5.8
45 2 5 0 26.406 52.812 1.73203 60.7 9.8 9.5 5.8
46 8 3 1 26.911 53.821 1.7019 56.7 9.1 8.9 5.8
47 7 2 2 27.006 54.012 1.69633 36.9 5.9 5.8 5.8
48 6 4 1 27.154 54.309 1.68776 6.4 1.0 1.0 5.8
49 8 1 2 27.279 54.559 1.68062 54.2 8.7 8.5 5.8
50 1 4 2 27.422 54.844 1.67254 11.6 1.9 1.8 5.8
51 2 1 3 27.516 55.032 1.66728 13.5 2.2 2.1 5.8
52 2 4 2 27.795 55.591 1.65184 35.9 5.8 5.6 5.8
53 2 5 1 27.962 55.924 1.64278 17.9 2.9 2.8 5.8
54 3 1 3 28.135 56.27 1.63351 28.2 4.5 4.4 5.8
55 3 4 2 28.41 56.821 1.61898 16.5 2.7 2.6 5.8
56 0 2 3 28.603 57.205 1.60899 122.3 19.7 19.1 5.8
57 1 2 3 28.724 57.448 1.60277 85.6 13.8 13.4 5.8
58 7 4 1 28.759 57.517 1.60101 7.6 1.2 1.2 5.8
59 9 0 2 28.846 57.691 1.59659 54.2 8.7 8.4 5.8
60 9 3 1 29.008 58.017 1.58841 77.4 12.5 12.1 5.8
61 8 4 0 29.075 58.15 1.58508 15.2 2.4 2.4 5.8
62 9 1 2 29.36 58.719 1.57107 16.3 2.6 2.5 5.8
63 4 5 1 29.418 58.836 1.56822 11.1 1.8 1.7 5.8
64 6 5 0 30.32 60.64 1.52583 48.0 7.7 7.5 5.8
65 12 0 0 30.449 60.897 1.51999 46.9 7.5 7.3 5.8
66 5 5 1 30.481 60.962 1.51852 22.8 3.7 3.5 5.8
67 9 2 2 30.87 61.74 1.50125 20.7 3.3 3.2 5.8
68 1 3 3 31.248 62.497 1.48488 355.5 57.2 55.1 5.8
69 6 1 3 31.339 62.679 1.481 14.9 2.4 2.3 5.8
70 5 2 3 31.549 63.099 1.47216 7.6 1.2 1.2 5.9
71 0 6 0 31.598 63.196 1.47012 201.4 32.4 31.2 5.9
72 7 1 3 32.816 65.631 1.42135 8.7 1.4 1.3 5.9
73 3 5 2 32.898 65.795 1.4182 62.2 10.0 9.6 5.9
74 10 2 2 33.032 66.065 1.41306 6.9 1.1 1.1 5.9
75 7 4 2 33.067 66.135 1.41174 7.9 1.3 1.2 5.9
76 7 5 1 33.218 66.436 1.40607 13.4 2.2 2.1 5.9
77 11 0 2 33.467 66.933 1.39683 84.2 13.6 13.0 5.9
78 11 3 1 33.616 67.232 1.39134 171.1 27.6 26.3 5.9
79 12 2 1 33.795 67.591 1.38482 7.1 1.1 1.1 5.9
80 11 1 2 33.94 67.88 1.37964 55.2 8.9 8.5 5.9
81 3 6 1 33.998 67.995 1.37757 6.9 1.1 1.1 5.9
82 7 2 3 34.239 68.478 1.36903 22.7 3.6 3.5 5.9
83 0 4 3 34.493 68.985 1.3602 39.4 6.3 6.0 5.9
84 1 4 3 34.602 69.204 1.35643 18.1 2.9 2.8 5.9
85 5 5 2 34.667 69.334 1.35421 6.8 1.1 1.0 5.9
86 6 3 3 35.154 70.308 1.33781 49.0 7.9 7.5 5.9
87 3 4 3 35.472 70.943 1.32738 11.8 1.9 1.8 5.9
88 12 3 1 36.122 72.244 1.30665 85.8 13.8 13.1 5.9
89 4 4 3 36.225 72.45 1.30344 11.5 1.9 1.8 5.9
90 12 1 2 36.436 72.871 1.29694 76.7 12.3 11.7 6.0
91 13 2 1 36.51 73.019 1.29468 7.1 1.1 1.1 6.0
92 1 0 4 36.571 73.142 1.29282 53.7 8.6 8.2 6.0
93 14 1 0 36.701 73.402 1.28887 24.0 3.9 3.7 6.0
94 1 1 4 37.026 74.053 1.27915 25.2 4.1 3.8 6.0
95 10 5 0 37.405 74.81 1.26807 25.8 4.1 3.9 6.0
96 2 6 2 37.463 74.926 1.26638 90.0 14.5 13.6 6.0
97 3 1 4 37.873 75.746 1.2547 6.3 1.0 0.9 6.0
98 3 6 2 37.991 75.982 1.25139 40.5 6.5 6.1 6.0
99 4 0 4 38.16 76.32 1.2467 28.6 4.6 4.3 6.0
100 10 1 3 38.331 76.662 1.24198 7.9 1.3 1.2 6.0
101 13 3 1 38.769 77.538 1.23012 7.1 1.1 1.1 6.0
102 8 5 2 38.827 77.654 1.22858 35.1 5.7 5.3 6.0
103 2 5 3 39.025 78.049 1.22334 10.1 1.6 1.5 6.0
104 3 5 3 39.546 79.092 1.20981 35.2 5.7 5.3 6.0
105 5 6 2 39.665 79.33 1.20678 29.8 4.8 4.5 6.0
106 3 7 1 39.92 79.839 1.20035 7.3 1.2 1.1 6.0
107 9 5 2 40.594 81.188 1.18378 37.6 6.1 5.6 6.1
108 6 1 4 40.689 81.378 1.1815 8.5 1.4 1.3 6.1
109 5 2 4 40.878 81.756 1.17699 16.3 2.6 2.4 6.1
110 5 7 1 41.573 83.146 1.16081 12.2 2.0 1.8 6.1
111 10 3 3 41.88 83.76 1.15385 16.3 2.6 2.4 6.1
112 7 1 4 42.028 84.057 1.15054 11.0 1.8 1.6 6.1
113 7 6 2 42.143 84.287 1.14798 10.3 1.7 1.5 6.1
114 6 5 3 42.334 84.668 1.14378 7.1 1.1 1.1 6.1
115 16 0 0 42.508 85.015 1.13999 12.2 2.0 1.8 6.1
116 9 4 3 43.002 86.004 1.12941 7.3 1.2 1.1 6.1
117 8 0 4 43.128 86.256 1.12675 11.3 1.8 1.7 6.1
118 12 2 3 44.198 88.395 1.10492 12.2 2.0 1.8 6.2
119 16 2 0 44.258 88.517 1.10372 7.1 1.1 1.0 6.2
120 11 5 2 44.699 89.398 1.09511 15.6 2.5 2.3 6.2
121 8 2 4 44.877 89.754 1.09168 15.2 2.4 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)
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