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
45, syn, t-hypersthene, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-enstatite
(Mg,Fe,Li)SiO(3)
Orthorhombic P bca Z = 16
R =0.0188 NR =3458
7 .11 .25
Ref.Str.:
Ballirano P., Celata B., Pacella A., Bloise A.,
Bosi F. (2025)
* Acta Cryst., B81, doi:10.1107/S2052520624011624
L: $Mg0.68 Fe0.16 Li0.16 Si1 O3$
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.1718 alpha = 90.0
b = 8.7706 beta = 90.0
c = 5.1992 gamma = 90.0
Unit cell volume (cub. angs.) = 828.64
Molar volume ( cub.cm/mol.) = 31.19
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3753 0.6497 0.8744 0.0 Mg = 0.69, Fe = 0.31
2 0.3765 0.4869 0.3652 0.0 Mg = 0.69, Li = 0.31
3 0.2725 0.3408 0.054 0.0 Si = 1.00
4 0.474 0.3375 0.7936 0.0 Si = 1.00
5 0.1835 0.3373 0.0438 0.0 O = 1.00
6 0.5634 0.3381 0.7963 0.0 O = 1.00
7 0.3101 0.5044 0.0479 0.0 O = 1.00
8 0.4343 0.4884 0.697 0.0 O = 1.00
9 0.3038 0.2261 0.8306 0.0 O = 1.00
10 0.4475 0.2011 0.5921 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3753 0.6497 0.8744
2 2 0.3765 0.4869 0.3652
3 3 0.2725 0.3408 0.054
4 4 0.474 0.3375 0.7936
5 5 0.1835 0.3373 0.0438
6 6 0.5634 0.3381 0.7963
7 7 0.3101 0.5044 0.0479
8 8 0.4343 0.4884 0.697
9 9 0.3038 0.2261 0.8306
10 10 0.4475 0.2011 0.5921
11 1 0.1247 0.3503 0.3744
12 2 0.1235 0.5131 0.8652
13 3 0.2275 0.6592 0.554
14 4 0.026 0.6625 0.2936
15 5 0.3165 0.6627 0.5438
16 6 0.9366 0.6619 0.2963
17 7 0.1899 0.4956 0.5479
18 8 0.0657 0.5116 0.197
19 9 0.1962 0.7739 0.3305
20 10 0.0525 0.7989 0.0921
21 1 0.1247 0.1497 0.8744
22 2 0.1235 0.9869 0.3652
23 3 0.2275 0.8408 0.054
24 4 0.026 0.8375 0.7936
25 5 0.3165 0.8373 0.0438
26 6 0.9366 0.8381 0.7963
27 7 0.1899 0.0044 0.0479
28 8 0.0657 0.9884 0.697
29 9 0.1962 0.7261 0.8306
30 10 0.0525 0.7011 0.5921
31 1 0.3753 0.8503 0.3744
32 2 0.3765 0.0131 0.8652
33 3 0.2725 0.1592 0.554
34 4 0.474 0.1625 0.2936
35 5 0.1835 0.1627 0.5438
36 6 0.5634 0.1619 0.2963
37 7 0.3101 0.9956 0.5479
38 8 0.4343 0.0116 0.197
39 9 0.3038 0.2739 0.3305
40 10 0.4475 0.2989 0.0921
41 1 0.8753 0.6497 0.6256
42 2 0.8765 0.4869 0.1348
43 3 0.7725 0.3408 0.446
44 4 0.974 0.3375 0.7064
45 5 0.6835 0.3373 0.4562
46 6 0.0634 0.3381 0.7037
47 7 0.8101 0.5044 0.4521
48 8 0.9343 0.4884 0.803
49 9 0.8038 0.2261 0.6694
50 10 0.9475 0.2011 0.9079
51 1 0.6247 0.3503 0.1256
52 2 0.6235 0.5131 0.6348
53 3 0.7275 0.6592 0.946
54 4 0.526 0.6625 0.2064
55 5 0.8165 0.6627 0.9562
56 6 0.4366 0.6619 0.2037
57 7 0.6899 0.4956 0.9521
58 8 0.5657 0.5116 0.303
59 9 0.6962 0.7739 0.1695
60 10 0.5525 0.7989 0.4079
61 1 0.6247 0.1497 0.6256
62 2 0.6235 0.9869 0.1348
63 3 0.7275 0.8408 0.446
64 4 0.526 0.8375 0.7064
65 5 0.8165 0.8373 0.4562
66 6 0.4366 0.8381 0.7037
67 7 0.6899 0.0044 0.4521
68 8 0.5657 0.9884 0.803
69 9 0.6962 0.7261 0.6694
70 10 0.5525 0.7011 0.9079
71 1 0.8753 0.8503 0.1256
72 2 0.8765 0.0131 0.6348
73 3 0.7725 0.1592 0.946
74 4 0.974 0.1625 0.2064
75 5 0.6835 0.1627 0.9562
76 6 0.0634 0.1619 0.2037
77 7 0.8101 0.9956 0.9521
78 8 0.9343 0.0116 0.303
79 9 0.8038 0.2739 0.1695
80 10 0.9475 0.2989 0.4079
X-ray density (g/cm cub.) = 3.29
MU (1/cm) = 158.047 Mass attenuation coefficient (cm**2/g) = 48.056
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
1.9613 7
2.0 8
2.0276 5
2.1513 5
2.0447 6
2.1802 6
2 Mg ,Li 2.52 5
2.0501 7
2.0191 8
2.1046 5
2.2949 9
2.0623 6
3 Si 2.1 4
1.6177 5
1.5891 7
1.639 9
1.6538 9
4 Si 2.1 4
1.625 6
1.5894 8
1.6618 10
1.6596 10
5 O 3.264 11
2.7263 7
2.638 9
2.9681 7
2.9305 7
2.7482 8
2.9226 7
3.0175 5
3.0175 5
2.7035 9
2.809 6
2.7966 6
6 O 3.264 12
2.7414 8
2.6477 10
3.0241 6
3.0241 6
2.631 10
2.809 5
2.8016 7
3.0429 8
2.9825 8
3.0675 8
3.2425 10
2.7966 5
7 O 3.264 10
2.7263 5
2.9057 8
2.6921 9
2.9305 5
2.9681 5
2.9226 5
3.0563 9
2.5017 9
3.0883 10
2.8016 6
8 O 3.264 10
2.7414 6
2.9057 7
2.5893 10
2.7482 5
2.6532 10
3.0429 6
2.9825 6
3.1536 8
3.0675 6
3.0498 10
9 O 3.264 9
2.638 5
2.6921 7
2.8985 10
3.0563 7
2.7035 5
2.5017 7
2.6332 9
2.6332 9
3.012 10
10 O 3.264 11
2.6477 6
2.5893 8
2.8985 9
2.631 6
3.0883 7
2.6532 8
3.012 9
2.7375 10
2.7375 10
3.2425 6
3.0498 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 2 0 0 5.65 11.299 0.055 203.4 2 0.4 0.0
2 2 1 0 8.149 16.298 0.079 96.6 4 41.0 94.7
3 4 0 0 11.355 22.71 0.11 48.7 2 2.9 0.1
4 0 2 0 11.769 23.538 0.114 45.19 2 95.0 118.7
5 1 1 1 11.886 23.772 0.115 44.27 8 35.9 66.5
6 4 1 0 12.811 25.622 0.124 37.82 4 8.7 1.7
7 2 1 1 12.88 25.76 0.125 37.39 8 15.1 9.9
8 2 2 0 13.09 26.18 0.127 36.13 4 0.2 0.0
9 3 1 1 14.395 28.79 0.139 29.54 8 25.5 22.4
10 0 2 1 15.476 30.952 0.149 25.29 4 21.3 6.7
11 1 2 1 15.744 31.487 0.152 24.37 8 54.3 83.7
12 4 1 1 16.299 32.598 0.157 22.62 8 61.3 98.9
13 4 2 0 16.469 32.938 0.158 22.11 4 102.1 134.4
14 2 2 1 16.524 33.048 0.159 21.95 8 132.8 451.4
15 6 0 0 17.178 34.355 0.165 20.18 2 14.7 1.3
16 3 2 1 17.756 35.512 0.17 18.77 8 110.9 268.9
17 6 1 0 18.207 36.414 0.175 17.77 4 221.2 506.5
18 5 1 1 18.489 36.978 0.177 17.18 8 53.6 57.6
19 2 3 0 18.748 37.495 0.18 16.66 4 58.8 33.6
20 4 2 1 19.367 38.733 0.185 15.5 8 101.8 187.4
21 0 0 2 20.125 40.251 0.192 14.24 2 16.6 1.1
22 1 0 2 20.339 40.679 0.194 13.9 4 20.5 3.4
23 1 3 1 20.759 41.518 0.198 13.29 8 118.7 218.0
24 6 1 1 20.896 41.793 0.199 13.09 8 11.9 2.2
25 2 0 2 20.97 41.94 0.2 12.99 4 190.6 274.7
26 6 2 0 21.034 42.068 0.201 12.9 4 13.3 1.3
27 1 1 2 21.237 42.475 0.202 12.62 8 23.6 8.2
28 5 2 1 21.285 42.569 0.203 12.56 8 105.1 161.7
29 4 3 0 21.336 42.671 0.203 12.49 4 23.8 4.1
30 2 3 1 21.38 42.759 0.204 12.44 8 55.1 44.0
31 2 1 2 21.847 43.694 0.208 11.85 8 11.7 1.9
32 3 0 2 21.989 43.978 0.209 11.68 4 84.9 49.0
33 3 3 1 22.383 44.767 0.213 11.22 8 30.5 12.1
34 3 1 2 22.834 45.668 0.217 10.72 8 34.2 14.6
35 8 0 0 23.19 46.38 0.22 10.35 2 45.9 6.4
36 4 0 2 23.355 46.71 0.222 10.19 4 6.9 0.3
37 6 2 1 23.455 46.909 0.222 10.09 8 13.4 2.1
38 7 1 1 23.478 46.956 0.223 10.07 8 34.2 13.7
39 0 2 2 23.577 47.155 0.224 9.97 4 7.5 0.3
40 4 3 1 23.732 47.463 0.225 9.83 8 45.6 23.8
41 1 2 2 23.766 47.532 0.225 9.79 8 10.3 1.2
42 8 1 0 24.002 48.004 0.227 9.58 4 1.5 0.0
43 0 4 0 24.075 48.15 0.228 9.51 2 40.4 4.5
44 4 1 2 24.163 48.326 0.229 9.43 8 35.7 14.0
45 2 2 2 24.326 48.652 0.23 9.29 8 2.0 0.0
46 2 4 0 24.812 49.624 0.235 8.88 4 13.7 1.0
47 5 0 2 25.026 50.053 0.236 8.71 4 170.1 146.8
48 6 3 0 25.166 50.332 0.238 8.6 4 26.7 3.6
49 3 2 2 25.238 50.476 0.238 8.54 8 24.5 6.0
50 5 3 1 25.384 50.769 0.24 8.43 8 100.6 99.4
51 5 1 2 25.795 51.59 0.243 8.13 8 91.6 79.5
52 7 2 1 25.836 51.672 0.244 8.1 8 67.1 42.4
53 8 1 1 26.21 52.419 0.247 7.84 8 44.8 18.3
54 0 4 1 26.278 52.556 0.247 7.79 4 18.0 1.5
55 8 2 0 26.325 52.651 0.248 7.76 4 18.7 1.6
56 1 4 1 26.453 52.905 0.249 7.68 8 63.0 35.5
57 4 2 2 26.476 52.952 0.249 7.66 8 14.7 1.9
58 4 4 0 26.934 53.868 0.253 7.37 4 32.3 4.5
59 6 0 2 26.965 53.93 0.253 7.35 4 8.4 0.3
60 2 4 1 26.971 53.942 0.254 7.34 8 88.2 66.6
61 6 3 1 27.305 54.609 0.256 7.14 8 115.8 111.5
62 1 3 2 27.584 55.169 0.259 6.98 8 1.1 0.0
63 6 1 2 27.695 55.391 0.26 6.92 8 12.4 1.2
64 3 4 1 27.821 55.641 0.261 6.84 8 42.2 14.2
65 5 2 2 28.011 56.022 0.263 6.74 8 11.1 1.0
66 2 3 2 28.089 56.177 0.263 6.7 8 1.2 0.0
67 8 2 1 28.403 56.806 0.266 6.53 8 68.1 35.3
68 3 3 2 28.916 57.832 0.27 6.27 8 46.9 16.0
69 4 4 1 28.982 57.964 0.271 6.24 8 45.0 14.7
70 9 1 1 29.082 58.163 0.272 6.19 8 34.3 8.5
71 7 0 2 29.139 58.279 0.272 6.16 4 92.2 30.5
72 7 3 1 29.463 58.925 0.275 6.01 8 6.9 0.3
73 10 0 0 29.487 58.974 0.275 6.0 2 5.5 0.1
74 6 2 2 29.815 59.631 0.278 5.85 8 61.4 25.7
75 7 1 2 29.835 59.67 0.278 5.85 8 21.0 3.0
76 8 3 0 29.912 59.824 0.279 5.81 4 2.0 0.0
77 4 3 2 30.05 60.101 0.28 5.75 8 30.0 6.0
78 10 1 0 30.177 60.355 0.281 5.7 4 81.0 21.8
79 6 4 0 30.24 60.48 0.282 5.67 4 8.3 0.2
80 5 4 1 30.433 60.867 0.283 5.59 8 74.7 36.4
81 9 2 1 31.142 62.283 0.289 5.31 8 19.3 2.3
82 2 5 0 31.288 62.575 0.29 5.26 4 132.3 53.6
83 5 3 2 31.472 62.944 0.292 5.19 8 14.1 1.2
84 8 0 2 31.529 63.057 0.292 5.17 4 3.8 0.0
85 8 3 1 31.837 63.675 0.295 5.06 8 83.2 40.8
86 7 2 2 31.866 63.731 0.295 5.05 8 50.5 15.0
87 1 1 3 31.897 63.794 0.295 5.04 8 4.8 0.1
88 10 1 1 32.094 64.187 0.297 4.97 8 12.9 1.0
89 6 4 1 32.154 64.308 0.297 4.95 8 21.1 2.6
90 8 1 2 32.193 64.387 0.298 4.94 8 77.6 34.6
91 10 2 0 32.196 64.391 0.298 4.94 4 16.5 0.8
92 0 4 2 32.254 64.507 0.298 4.92 4 12.8 0.5
93 2 1 3 32.359 64.718 0.299 4.89 8 26.3 3.9
94 1 4 2 32.407 64.814 0.3 4.87 8 12.1 0.8
95 1 5 1 32.711 65.422 0.302 4.77 8 12.2 0.8
96 2 4 2 32.866 65.731 0.303 4.73 8 63.8 22.4
97 3 1 3 33.122 66.244 0.305 4.65 8 38.5 8.0
98 4 5 0 33.135 66.27 0.306 4.64 4 7.3 0.1
99 6 3 2 33.162 66.324 0.306 4.64 8 4.8 0.1
100 2 5 1 33.168 66.335 0.306 4.63 8 38.8 8.1
101 3 4 2 33.623 67.245 0.31 4.5 8 74.1 28.8
102 0 2 3 33.708 67.415 0.31 4.48 4 205.4 110.1
103 1 2 3 33.858 67.716 0.311 4.44 8 101.1 52.8
104 3 5 1 33.921 67.842 0.312 4.42 8 22.9 2.7
105 10 2 1 34.049 68.097 0.313 4.39 8 23.8 2.9
106 9 0 2 34.12 68.24 0.314 4.37 4 122.8 38.4
107 7 4 1 34.125 68.251 0.314 4.37 8 41.5 8.7
108 8 2 2 34.145 68.291 0.314 4.36 8 14.1 1.0
109 4 1 3 34.175 68.351 0.314 4.35 8 1.6 0.0
110 2 2 3 34.307 68.613 0.315 4.32 8 5.3 0.1
111 9 3 1 34.416 68.833 0.316 4.29 8 106.8 56.9
112 8 4 0 34.54 69.081 0.317 4.26 4 107.9 28.9
113 4 4 2 34.669 69.337 0.318 4.23 8 5.3 0.1
114 9 1 2 34.759 69.518 0.319 4.2 8 64.4 20.3
115 4 5 1 34.963 69.926 0.32 4.15 8 40.1 7.8
116 3 2 3 35.048 70.097 0.321 4.13 8 6.0 0.2
117 7 3 2 35.105 70.21 0.321 4.12 8 1.8 0.0
118 11 1 1 35.254 70.508 0.323 4.08 8 37.8 6.8
119 10 3 0 35.42 70.839 0.324 4.05 4 8.7 0.2
120 5 1 3 35.508 71.016 0.325 4.03 8 1.1 0.0
121 5 4 2 35.993 71.985 0.329 3.92 8 5.9 0.2
122 4 2 3 36.075 72.151 0.329 3.9 8 17.1 1.3
123 6 5 0 36.105 72.211 0.329 3.9 4 130.5 38.7
124 12 0 0 36.205 72.409 0.33 3.88 2 178.3 35.9
125 5 5 1 36.282 72.565 0.331 3.86 8 43.2 8.4
126 8 4 1 36.335 72.671 0.331 3.85 8 3.2 0.0
127 9 2 2 36.645 73.291 0.334 3.79 8 44.6 8.8
128 12 1 0 36.828 73.655 0.335 3.75 4 3.4 0.0
129 10 0 2 36.91 73.82 0.336 3.74 4 29.5 1.9
130 1 3 3 37.013 74.026 0.337 3.72 8 158.2 108.5
131 6 1 3 37.108 74.216 0.337 3.7 8 70.0 21.1
132 11 2 1 37.13 74.26 0.337 3.7 8 26.7 3.1
133 10 3 1 37.197 74.394 0.338 3.68 8 157.8 106.8
134 8 3 2 37.29 74.58 0.339 3.67 8 18.8 1.5
135 5 2 3 37.379 74.758 0.339 3.65 8 38.5 6.3
136 2 3 3 37.445 74.891 0.34 3.64 8 87.8 32.7
137 10 1 2 37.529 75.057 0.341 3.62 8 1.4 0.0
138 6 4 2 37.585 75.17 0.341 3.61 8 41.6 7.3
139 0 6 0 37.727 75.455 0.342 3.59 2 320.0 107.1
140 6 5 1 37.87 75.74 0.343 3.57 8 17.9 1.3
141 1 5 2 38.106 76.211 0.345 3.53 8 22.8 2.1
142 3 3 3 38.162 76.324 0.345 3.52 8 11.9 0.6
143 2 6 0 38.299 76.599 0.346 3.5 4 19.2 0.7
144 2 5 2 38.534 77.067 0.348 3.46 8 13.7 0.8
145 12 1 1 38.58 77.16 0.349 3.45 8 21.6 1.9
146 12 2 0 38.674 77.349 0.349 3.44 4 25.6 1.3
147 9 4 1 38.778 77.556 0.35 3.42 8 2.6 0.0
148 6 2 3 38.95 77.901 0.351 3.4 8 17.6 1.2
149 7 1 3 38.968 77.936 0.352 3.39 8 44.5 7.8
150 4 3 3 39.158 78.316 0.353 3.37 8 27.5 3.0
151 3 5 2 39.244 78.488 0.354 3.35 8 116.5 53.1
152 10 2 2 39.365 78.729 0.355 3.34 8 41.4 6.7
153 7 4 2 39.437 78.874 0.355 3.33 8 14.6 0.8
154 0 6 1 39.467 78.933 0.355 3.32 4 10.8 0.2
155 1 6 1 39.608 79.216 0.356 3.31 8 14.3 0.8
156 9 3 2 39.713 79.426 0.357 3.29 8 30.2 3.5
157 7 5 1 39.718 79.436 0.357 3.29 8 41.4 6.6
158 10 4 0 39.739 79.478 0.357 3.29 4 33.8 2.2
159 11 0 2 39.906 79.811 0.359 3.27 4 168.2 53.8
160 4 6 0 40.001 80.002 0.359 3.25 4 3.5 0.0
161 2 6 1 40.031 80.063 0.36 3.25 8 8.6 0.3
162 8 5 0 40.111 80.221 0.36 3.24 4 9.2 0.2
163 11 3 1 40.186 80.371 0.361 3.23 8 181.2 123.7
164 4 5 2 40.232 80.465 0.361 3.23 8 17.2 1.1
165 12 2 1 40.402 80.804 0.362 3.21 8 48.0 8.6
166 5 3 3 40.429 80.857 0.363 3.2 8 48.8 8.9
167 11 1 2 40.51 81.02 0.363 3.19 8 106.4 42.1
168 3 6 1 40.735 81.469 0.365 3.17 8 50.2 9.3
169 7 2 3 40.785 81.57 0.365 3.16 8 65.8 16.0
170 8 1 3 41.082 82.165 0.367 3.13 8 8.1 0.2
171 0 4 3 41.137 82.274 0.368 3.12 4 145.7 38.6
172 1 4 3 41.277 82.554 0.369 3.11 8 63.3 14.5
173 10 4 1 41.455 82.911 0.37 3.09 8 12.6 0.6
174 5 5 2 41.495 82.99 0.37 3.09 8 44.5 7.1
175 8 4 2 41.546 83.092 0.371 3.08 8 4.0 0.1
176 2 4 3 41.697 83.394 0.372 3.07 8 8.5 0.3
177 12 3 0 41.698 83.396 0.372 3.07 4 17.8 0.6
178 4 6 1 41.715 83.43 0.372 3.07 8 27.2 2.6
179 8 5 1 41.824 83.647 0.373 3.05 8 26.3 2.5
180 6 3 3 41.969 83.939 0.374 3.04 8 112.2 44.6
181 13 1 1 42.099 84.199 0.375 3.03 8 4.7 0.1
182 11 2 2 42.312 84.624 0.376 3.01 8 24.3 2.1
183 10 3 2 42.377 84.753 0.377 3.0 8 4.2 0.1
184 3 4 3 42.395 84.789 0.377 3.0 8 31.7 3.5
185 6 6 0 42.8 85.601 0.38 2.97 4 17.6 0.5
186 8 2 3 42.88 85.761 0.38 2.96 8 35.7 4.4
187 5 6 1 42.97 85.939 0.381 2.96 8 3.6 0.0
188 6 5 2 43.029 86.058 0.381 2.95 8 8.6 0.3
189 12 0 2 43.124 86.248 0.382 2.94 4 16.0 0.4
190 4 4 3 43.369 86.738 0.384 2.93 8 40.3 5.5
191 12 3 1 43.4 86.8 0.384 2.92 8 136.7 63.6
192 9 1 3 43.454 86.907 0.384 2.92 8 10.5 0.4
193 0 0 4 43.484 86.968 0.385 2.92 2 60.4 3.1
194 14 0 0 43.56 87.12 0.385 2.91 2 20.3 0.4
195 1 0 4 43.623 87.246 0.386 2.91 4 123.4 25.8
196 12 1 2 43.721 87.441 0.386 2.9 8 129.4 56.6
197 7 3 3 43.779 87.558 0.387 2.9 8 53.3 9.6
198 13 2 1 43.892 87.783 0.388 2.89 8 44.3 6.6
199 9 4 2 43.914 87.828 0.388 2.89 8 34.1 3.9
200 2 0 4 44.04 88.08 0.389 2.88 4 4.5 0.0
201 14 1 0 44.156 88.313 0.389 2.87 4 110.6 20.5
202 9 5 1 44.19 88.38 0.39 2.87 8 20.1 1.4
203 1 1 4 44.219 88.439 0.39 2.87 8 82.5 22.8
204 11 4 1 44.38 88.759 0.391 2.86 8 10.7 0.4
205 6 6 1 44.498 88.997 0.392 2.85 8 13.5 0.6
206 0 6 2 44.588 89.177 0.392 2.85 4 3.7 0.0
207 5 4 3 44.619 89.239 0.393 2.85 8 25.2 2.1
208 2 1 4 44.636 89.272 0.393 2.85 8 34.2 3.9
209 1 6 2 44.727 89.454 0.393 2.84 8 16.5 0.9
210 3 0 4 44.734 89.468 0.393 2.84 4 76.6 9.7
211 7 5 2 44.835 89.671 0.394 2.84 8 25.9 2.2
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 2 1 0 8.149 16.298 6.31027 94.7 18.7 19.0 5.6
2 0 2 0 11.769 23.538 4.3853 118.7 23.4 23.7 5.6
3 1 1 1 11.886 23.772 4.34283 66.5 13.1 13.3 5.6
4 2 1 1 12.88 25.76 4.01264 9.9 1.9 2.0 5.6
5 3 1 1 14.395 28.79 3.59795 22.4 4.4 4.5 5.6
6 0 2 1 15.476 30.952 3.35213 6.7 1.3 1.3 5.6
7 1 2 1 15.744 31.487 3.29651 83.7 16.5 16.6 5.6
8 4 1 1 16.299 32.598 3.18712 98.9 19.5 19.6 5.6
9 4 2 0 16.469 32.938 3.15514 134.4 26.5 26.6 5.6
10 2 2 1 16.524 33.048 3.14492 451.4 89.1 89.4 5.6
11 3 2 1 17.756 35.512 2.93296 268.9 53.1 53.1 5.7
12 6 1 0 18.207 36.414 2.86276 506.5 100.0 100.0 5.7
13 5 1 1 18.489 36.978 2.82052 57.6 11.4 11.4 5.7
14 2 3 0 18.748 37.495 2.78301 33.6 6.6 6.6 5.7
15 4 2 1 19.367 38.733 2.69732 187.4 37.0 36.9 5.7
16 1 3 1 20.759 41.518 2.5236 218.0 43.0 42.8 5.7
17 2 0 2 20.97 41.94 2.49931 274.7 54.2 53.9 5.7
18 1 1 2 21.237 42.475 2.4693 8.2 1.6 1.6 5.7
19 5 2 1 21.285 42.569 2.46406 161.7 31.9 31.7 5.7
20 2 3 1 21.38 42.759 2.45362 44.0 8.7 8.6 5.7
21 3 0 2 21.989 43.978 2.38889 49.0 9.7 9.6 5.7
22 3 3 1 22.383 44.767 2.34889 12.1 2.4 2.4 5.7
23 3 1 2 22.834 45.668 2.30492 14.6 2.9 2.9 5.7
24 8 0 0 23.19 46.38 2.27148 6.4 1.3 1.2 5.7
25 7 1 1 23.478 46.956 2.24517 15.9 3.1 3.1 5.7
26 4 3 1 23.732 47.463 2.22252 23.8 4.7 4.6 5.7
27 4 1 2 24.163 48.326 2.18516 14.0 2.8 2.7 5.7
28 5 0 2 25.026 50.053 2.11438 146.8 29.0 28.6 5.7
29 3 2 2 25.238 50.476 2.09782 6.0 1.2 1.2 5.8
30 5 3 1 25.384 50.769 2.0865 99.4 19.6 19.3 5.8
31 5 1 2 25.795 51.59 2.0555 79.5 15.7 15.4 5.8
32 7 2 1 25.836 51.672 2.05247 42.4 8.4 8.2 5.8
33 8 1 1 26.21 52.419 2.02524 18.3 3.6 3.6 5.8
34 1 4 1 26.453 52.905 2.00796 37.4 7.4 7.3 5.8
35 2 4 1 26.971 53.942 1.97217 66.6 13.2 12.9 5.8
36 6 3 1 27.305 54.609 1.9499 111.5 22.0 21.6 5.8
37 3 4 1 27.821 55.641 1.91654 14.2 2.8 2.7 5.8
38 8 2 1 28.403 56.806 1.88042 35.3 7.0 6.8 5.8
39 3 3 2 28.916 57.832 1.84986 16.0 3.2 3.1 5.8
40 4 4 1 28.982 57.964 1.84602 14.7 2.9 2.8 5.8
41 9 1 1 29.082 58.163 1.84025 8.5 1.7 1.6 5.8
42 7 0 2 29.139 58.279 1.83691 30.5 6.0 5.9 5.8
43 6 2 2 29.815 59.631 1.79897 28.7 5.7 5.5 5.8
44 4 3 2 30.05 60.101 1.78621 6.0 1.2 1.2 5.8
45 10 1 0 30.177 60.355 1.77939 21.8 4.3 4.2 5.8
46 5 4 1 30.433 60.867 1.76583 36.4 7.2 7.0 5.8
47 2 5 0 31.288 62.575 1.72232 53.6 10.6 10.3 5.8
48 8 3 1 31.837 63.675 1.69563 55.8 11.0 10.7 5.9
49 8 1 2 32.193 64.387 1.67886 35.4 7.0 6.8 5.9
50 2 4 2 32.866 65.731 1.64826 22.4 4.4 4.3 5.9
51 3 1 3 33.122 66.244 1.63693 8.2 1.6 1.6 5.9
52 2 5 1 33.168 66.335 1.63494 8.1 1.6 1.5 5.9
53 3 4 2 33.623 67.245 1.61537 28.8 5.7 5.5 5.9
54 0 2 3 33.708 67.415 1.61177 110.1 21.7 20.9 5.9
55 1 2 3 33.858 67.716 1.60546 52.8 10.4 10.0 5.9
56 9 0 2 34.12 68.24 1.59461 48.1 9.5 9.1 5.9
57 9 3 1 34.416 68.833 1.58255 56.9 11.2 10.8 5.9
58 8 4 0 34.54 69.081 1.57757 28.9 5.7 5.5 5.9
59 9 1 2 34.759 69.518 1.56889 20.3 4.0 3.8 5.9
60 4 5 1 34.963 69.926 1.56089 7.8 1.5 1.5 5.9
61 11 1 1 35.254 70.508 1.54965 6.8 1.3 1.3 5.9
62 6 5 0 36.105 72.211 1.51791 38.7 7.6 7.3 5.9
63 12 0 0 36.205 72.409 1.51432 35.9 7.1 6.7 5.9
64 5 5 1 36.282 72.565 1.51151 8.4 1.7 1.6 6.0
65 9 2 2 36.645 73.291 1.49861 8.8 1.7 1.6 6.0
66 1 3 3 37.013 74.026 1.48582 108.5 21.4 20.3 6.0
67 6 1 3 37.108 74.216 1.48256 24.2 4.8 4.5 6.0
68 10 3 1 37.197 74.394 1.47953 106.8 21.1 20.0 6.0
69 5 2 3 37.379 74.758 1.47338 6.3 1.2 1.2 6.0
70 2 3 3 37.445 74.891 1.47114 32.7 6.4 6.1 6.0
71 6 4 2 37.585 75.17 1.46648 7.3 1.4 1.4 6.0
72 0 6 0 37.727 75.455 1.46177 107.1 21.1 20.0 6.0
73 7 1 3 38.968 77.936 1.4223 9.0 1.8 1.7 6.0
74 3 5 2 39.244 78.488 1.41389 53.1 10.5 9.9 6.0
75 10 2 2 39.365 78.729 1.41026 6.7 1.3 1.2 6.0
76 7 5 1 39.718 79.436 1.39976 12.3 2.4 2.3 6.0
77 11 0 2 39.906 79.811 1.39427 53.8 10.6 10.0 6.0
78 11 3 1 40.186 80.371 1.38619 123.7 24.4 22.9 6.0
79 5 3 3 40.429 80.857 1.37928 17.5 3.5 3.2 6.1
80 11 1 2 40.51 81.02 1.37698 42.1 8.3 7.8 6.1
81 3 6 1 40.735 81.469 1.3707 9.3 1.8 1.7 6.1
82 7 2 3 40.785 81.57 1.36931 16.0 3.2 2.9 6.1
83 0 4 3 41.137 82.274 1.35964 38.6 7.6 7.1 6.1
84 1 4 3 41.277 82.554 1.35585 14.5 2.9 2.7 6.1
85 5 5 2 41.495 82.99 1.35002 7.1 1.4 1.3 6.1
86 6 3 3 41.969 83.939 1.33755 44.6 8.8 8.2 6.1
87 4 4 3 43.369 86.738 1.30256 5.5 1.1 1.0 6.1
88 12 3 1 43.4 86.8 1.30181 63.6 12.6 11.6 6.1
89 1 0 4 43.623 87.246 1.29649 25.8 5.1 4.7 6.2
90 12 1 2 43.721 87.441 1.29417 56.6 11.2 10.3 6.2
91 7 3 3 43.779 87.558 1.29279 9.6 1.9 1.7 6.2
92 13 2 1 43.892 87.783 1.29015 10.5 2.1 1.9 6.2
93 14 1 0 44.156 88.313 1.284 20.5 4.0 3.7 6.2
94 1 1 4 44.219 88.439 1.28255 24.1 4.8 4.4 6.2
95 2 1 4 44.636 89.272 1.27307 6.0 1.2 1.1 6.2
96 3 0 4 44.734 89.468 1.27087 9.7 1.9 1.8 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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