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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NEPHELINE
25, f-feldspathoid, sf-nepheline, DF
K(0.8)Na(3)Si(4.2)Al(3.7)O(16)
Hexagonal P 6(3) Z = 2
R =0.0191 NR =1623
12 .11 .24
Ref.Str.:
Mikhailova J.A., Aksenov S.M., Pakhomovsky Y.A., Moine B.N.,
Dusseaux C., Vaitieva Y.A., Voronin M. (2022)
* Minerals, 12, 1257, doi:10.3390/min12101257
L: $Na3.00 K0.84 Al3.72 Fe3+0.05 Fe2+0.03 Si4.21 O16$
R: Locality - Lovozero massifs, Kola Peninsula, Russia.
Sample LV-00-16. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.9965 alpha = 90.0
b = 9.9965 beta = 90.0
c = 8.3796 gamma = 120.0
Unit cell volume (cub. angs.) = 725.19
Molar volume ( cub.cm/mol.) = 218.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0117 0.0 K = 0.72, K = 0.0
2 0.9976 0.5543 0.5183 0.0 Na = 0.97, Na = 0.0
3 0.6667 0.3333 0.2114 0.0 Al = 0.72, Si = 0.26, Fe = 0.02
4 0.3333 0.6667 0.3225 0.0 Si = 0.89, Al = 0.11
5 0.7603 0.6662 0.3324 0.0 Si = 0.89, Al = 0.11
6 0.0935 0.7612 0.2057 0.0 Al = 0.79, Al = 0.19, Fe = 0.02
7 0.3686 0.7099 0.5129 0.0 O = 0.33, O = 0.0
8 0.7107 0.6835 0.5119 0.0 O = 1.00
9 0.1733 0.6502 0.2608 0.0 O = 1.00
10 0.6519 0.4897 0.2737 0.0 O = 1.00
11 0.9406 0.7139 0.3337 0.0 O = 1.00
12 0.7335 0.7764 0.211 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0117
2 2 0.9976 0.5543 0.5183
3 3 0.6667 0.3333 0.2114
4 4 0.3333 0.6667 0.3225
5 5 0.7603 0.6662 0.3324
6 6 0.0935 0.7612 0.2057
7 7 0.3686 0.7099 0.5129
8 8 0.7107 0.6835 0.5119
9 9 0.1733 0.6502 0.2608
10 10 0.6519 0.4897 0.2737
11 11 0.9406 0.7139 0.3337
12 12 0.7335 0.7764 0.211
13 2 0.4457 0.4432 0.5183
14 2 0.5568 0.0025 0.5183
15 5 0.3338 0.0941 0.3324
16 5 0.9059 0.2397 0.3324
17 6 0.2388 0.3323 0.2057
18 6 0.6677 0.9065 0.2057
19 7 0.2901 0.6587 0.5129
20 7 0.3413 0.6314 0.5129
21 8 0.3165 0.0272 0.5119
22 8 0.9728 0.2893 0.5119
23 9 0.3498 0.5231 0.2608
24 9 0.4769 0.8267 0.2608
25 10 0.5103 0.1622 0.2737
26 10 0.8378 0.3481 0.2737
27 11 0.2861 0.2267 0.3337
28 11 0.7733 0.0594 0.3337
29 12 0.2236 0.9571 0.211
30 12 0.0429 0.2665 0.211
31 1 0.0 0.0 0.5117
32 2 0.0024 0.4457 0.0183
33 3 0.3333 0.6667 0.7114
34 4 0.6667 0.3333 0.8225
35 5 0.2397 0.3338 0.8324
36 6 0.9065 0.2388 0.7057
37 7 0.6314 0.2901 0.0129
38 8 0.2893 0.3165 0.0119
39 9 0.8267 0.3498 0.7608
40 10 0.3481 0.5103 0.7737
41 11 0.0594 0.2861 0.8337
42 12 0.2665 0.2236 0.711
43 2 0.5543 0.5568 0.0183
44 2 0.4432 0.9976 0.0183
45 5 0.6662 0.9059 0.8324
46 5 0.0941 0.7603 0.8324
47 6 0.7612 0.6677 0.7057
48 6 0.3323 0.0935 0.7057
49 7 0.7099 0.3413 0.0129
50 7 0.6587 0.3686 0.0129
51 8 0.6835 0.9728 0.0119
52 8 0.0272 0.7107 0.0119
53 9 0.6502 0.4769 0.7608
54 9 0.5231 0.1733 0.7608
55 10 0.4897 0.8378 0.7737
56 10 0.1622 0.6519 0.7737
57 11 0.7139 0.7733 0.8337
58 11 0.2267 0.9406 0.8337
59 12 0.7764 0.0429 0.711
60 12 0.9571 0.7335 0.711
X-ray density (g/cm cub.) = 2.62
MU (1/cm) = 101.765 Mass attenuation coefficient (cm**2/g) = 38.785
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,K 3.228 9
2.9884 12
2.9885 12
2.9884 12
3.037 8
3.01 11
3.037 8
3.0369 8
3.0099 11
3.0099 11
2 Na ,Na 2.808 8
2.6413 9
2.4835 11
2.5675 7
2.5354 8
2.7764 10
2.7811 9
2.5761 10
2.5892 12
3 Al ,Si ,Fe 2.592 6
1.7233 10
1.7228 10
1.7224 10
1.7106 7
1.7105 7
1.7108 7
4 Si ,Al 2.316 6
1.644 7
1.6092 9
1.6439 7
1.6442 7
1.6102 9
1.6096 9
5 Si ,Al 2.316 4
1.6197 8
1.6178 10
1.6175 11
1.6172 12
6 Al ,Al ,Fe 2.592 4
1.7221 9
1.7287 11
1.7268 12
1.7307 8
7 O ,O 3.264 8
2.7323 9
0.69 7
0.69 7
2.763 9
2.3946 9
2.8966 10
2.5156 10
2.8589 10
8 O 3.264 6
2.6351 10
2.6277 11
2.6569 12
2.7805 9
2.8372 11
2.8051 12
9 O 3.264 9
2.7323 7
2.7693 11
2.3946 7
2.763 7
2.64 9
2.64 9
3.2017 10
2.8805 12
2.7806 8
10 O 3.264 9
2.6351 8
2.6713 11
2.6108 12
3.2017 9
2.8439 10
2.8439 10
2.8966 7
2.8587 7
2.5156 7
11 O 3.264 7
2.6277 8
2.7693 9
2.6713 10
2.651 12
2.8451 12
2.8371 8
3.1671 12
12 O 3.264 7
2.6569 8
2.6108 10
2.651 11
2.8805 9
2.8451 11
2.8053 8
3.1671 11
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 0 5.105 10.209 0.058 249.65 6 3.9 4.3
2 1 0 1 7.35 14.7 0.083 119.25 12 4.5 5.6
3 1 1 0 8.865 17.73 0.1 81.28 6 21.3 42.0
4 2 0 0 10.25 20.501 0.116 60.25 6 45.5 142.6
5 1 1 1 10.337 20.675 0.116 59.2 12 22.4 67.9
6 0 0 2 10.594 21.188 0.119 56.27 2 141.0 425.3
7 2 0 1 11.554 23.108 0.13 46.97 12 79.1 671.3
8 1 0 2 11.785 23.571 0.133 45.06 12 20.9 45.1
9 1 2 0 13.616 27.231 0.153 33.25 6 99.2 373.5
10 2 1 0 13.616 27.231 0.153 33.25 6 50.9 98.4
11 1 1 2 13.88 27.761 0.156 31.91 12 2.7 0.5
12 1 2 1 14.638 29.277 0.164 28.5 12 14.5 13.6
13 2 1 1 14.638 29.277 0.164 28.5 12 35.8 83.6
14 2 0 2 14.825 29.649 0.166 27.74 12 116.4 858.0
15 3 0 0 15.481 30.963 0.173 25.27 6 118.1 402.1
16 3 0 1 16.398 32.796 0.183 22.32 12 9.6 4.7
17 1 0 3 16.844 33.688 0.188 21.06 12 14.2 9.7
18 1 2 2 17.379 34.758 0.194 19.67 12 66.2 197.0
19 2 1 2 17.379 34.758 0.194 19.67 12 27.7 34.5
20 2 2 0 17.952 35.904 0.2 18.32 6 85.2 151.9
21 1 1 3 18.416 36.831 0.205 17.33 12 20.3 16.2
22 1 3 0 18.712 37.423 0.208 16.73 6 32.5 20.1
23 3 1 0 18.712 37.423 0.208 16.73 6 73.1 102.1
24 2 2 1 18.762 37.524 0.209 16.63 12 25.3 24.2
25 3 0 2 18.912 37.824 0.21 16.34 12 23.9 21.2
26 2 0 3 19.16 38.319 0.213 15.88 12 105.1 400.4
27 1 3 1 19.494 38.989 0.217 15.28 12 65.4 149.3
28 3 1 1 19.494 38.989 0.217 15.28 12 50.5 89.0
29 4 0 0 20.849 41.697 0.231 13.16 6 52.0 40.7
30 2 2 2 21.032 42.064 0.233 12.9 12 20.4 12.2
31 1 2 3 21.259 42.518 0.235 12.6 12 33.0 31.3
32 2 1 3 21.259 42.518 0.235 12.6 12 39.8 45.5
33 4 0 1 21.567 43.133 0.239 12.2 12 20.0 11.1
34 0 0 4 21.573 43.147 0.239 12.19 2 169.7 133.6
35 1 3 2 21.7 43.4 0.24 12.03 12 43.9 52.8
36 3 1 2 21.7 43.4 0.24 12.03 12 22.9 14.4
37 1 0 4 22.229 44.457 0.246 11.39 12 20.8 11.3
38 3 0 3 22.569 45.138 0.249 11.01 12 14.1 5.0
39 2 3 0 22.82 45.64 0.252 10.74 6 51.8 32.8
40 3 2 0 22.82 45.64 0.252 10.74 6 6.3 0.5
41 2 3 1 23.489 46.979 0.259 10.06 12 27.1 16.9
42 3 2 1 23.489 46.979 0.259 10.06 12 59.5 81.4
43 1 1 4 23.496 46.992 0.259 10.05 12 16.8 6.5
44 4 0 2 23.615 47.229 0.26 9.94 12 46.7 49.6
45 1 4 0 24.063 48.125 0.265 9.52 6 52.7 30.2
46 4 1 0 24.063 48.125 0.265 9.52 6 17.8 3.4
47 2 0 4 24.11 48.22 0.265 9.48 12 44.5 42.8
48 2 2 3 24.43 48.86 0.268 9.2 12 5.1 0.6
49 1 4 1 24.706 49.413 0.271 8.97 12 19.0 7.4
50 4 1 1 24.706 49.413 0.271 8.97 12 33.8 23.4
51 1 3 3 25.027 50.054 0.275 8.71 12 13.9 3.9
52 3 1 3 25.027 50.054 0.275 8.71 12 17.9 6.4
53 2 3 2 25.417 50.834 0.279 8.41 12 61.4 72.4
54 3 2 2 25.417 50.834 0.279 8.41 12 9.8 1.8
55 1 2 4 25.887 51.774 0.283 8.06 12 24.9 11.4
56 2 1 4 25.887 51.774 0.283 8.06 12 27.4 13.9
57 5 0 0 26.415 52.831 0.289 7.7 6 39.5 13.7
58 1 4 2 26.569 53.137 0.29 7.6 12 27.1 12.8
59 4 1 2 26.569 53.137 0.29 7.6 12 8.6 1.3
60 4 0 3 26.759 53.518 0.292 7.48 12 44.0 33.1
61 5 0 1 27.018 54.037 0.295 7.32 12 60.2 60.4
62 3 0 4 27.024 54.048 0.295 7.31 12 33.6 18.9
63 3 3 0 27.538 55.075 0.3 7.01 6 27.8 6.2
64 1 0 5 27.914 55.828 0.304 6.79 12 4.5 0.3
65 2 4 0 28.087 56.174 0.306 6.7 6 64.4 31.7
66 4 2 0 28.087 56.174 0.306 6.7 6 57.4 25.2
67 3 3 1 28.124 56.248 0.306 6.68 12 16.2 4.0
68 2 3 3 28.417 56.834 0.309 6.52 12 36.2 19.5
69 3 2 3 28.417 56.834 0.309 6.52 12 81.4 98.7
70 2 4 1 28.666 57.332 0.311 6.4 12 20.9 6.4
71 4 2 1 28.666 57.332 0.311 6.4 12 37.2 20.2
72 2 2 4 28.672 57.343 0.311 6.39 12 17.6 4.5
73 5 0 2 28.775 57.55 0.312 6.34 12 68.0 66.9
74 1 1 5 28.997 57.994 0.315 6.23 12 28.5 11.6
75 1 3 4 29.207 58.414 0.317 6.13 12 32.3 14.6
76 3 1 4 29.207 58.414 0.317 6.13 12 7.6 0.8
77 1 4 3 29.488 58.976 0.32 6.0 12 68.0 63.3
78 4 1 3 29.488 58.976 0.32 6.0 12 50.8 35.4
79 2 0 5 29.529 59.058 0.32 5.98 12 112.2 171.9
80 1 5 0 29.696 59.391 0.322 5.91 6 13.9 1.3
81 5 1 0 29.696 59.391 0.322 5.91 6 73.2 36.1
82 3 3 2 29.838 59.675 0.323 5.84 12 41.8 23.3
83 1 5 1 30.255 60.51 0.327 5.67 12 26.7 9.2
84 5 1 1 30.255 60.51 0.327 5.67 12 34.2 15.1
85 2 4 2 30.36 60.721 0.328 5.62 12 5.5 0.4
86 4 2 2 30.36 60.721 0.328 5.62 12 60.1 46.4
87 4 0 4 30.779 61.558 0.332 5.45 12 33.1 13.6
88 1 2 5 31.091 62.181 0.335 5.33 12 2.9 0.1
89 2 1 5 31.091 62.181 0.335 5.33 12 30.7 11.5
90 5 0 3 31.562 63.123 0.34 5.16 12 78.4 72.3
91 1 5 2 31.898 63.796 0.343 5.04 12 26.7 8.2
92 5 1 2 31.898 63.796 0.343 5.04 12 50.7 29.5
93 3 0 5 32.107 64.214 0.345 4.97 12 13.6 2.1
94 6 0 0 32.266 64.532 0.347 4.92 6 48.2 13.0
95 2 3 4 32.305 64.61 0.347 4.9 12 7.9 0.7
96 3 2 4 32.305 64.61 0.347 4.9 12 36.3 14.8
97 3 3 3 32.57 65.14 0.349 4.82 12 103.7 118.2
98 3 4 0 32.766 65.533 0.351 4.76 6 23.0 2.9
99 4 3 0 32.766 65.533 0.351 4.76 6 0.5 0.0
100 6 0 1 32.8 65.6 0.352 4.75 12 17.7 3.4
101 2 4 3 33.068 66.136 0.354 4.66 12 7.4 0.6
102 4 2 3 33.068 66.136 0.354 4.66 12 11.1 1.3
103 3 4 1 33.296 66.592 0.356 4.6 12 18.9 3.7
104 4 3 1 33.296 66.592 0.356 4.6 12 21.1 4.7
105 1 4 4 33.301 66.603 0.356 4.59 12 8.5 0.8
106 4 1 4 33.301 66.603 0.356 4.59 12 18.7 3.7
107 0 0 6 33.473 66.945 0.358 4.55 2 147.4 37.6
108 2 2 5 33.6 67.201 0.359 4.51 12 21.1 4.6
109 2 5 0 33.756 67.511 0.361 4.47 6 116.9 69.6
110 5 2 0 33.756 67.511 0.361 4.47 6 180.5 166.1
111 1 0 6 33.964 67.928 0.363 4.41 12 26.6 7.1
112 1 3 5 34.091 68.181 0.364 4.37 12 70.3 49.4
113 3 1 5 34.091 68.181 0.364 4.37 12 53.7 28.8
114 2 5 1 34.278 68.555 0.366 4.33 12 15.4 2.3
115 5 2 1 34.278 68.555 0.366 4.33 12 3.8 0.1
116 6 0 2 34.376 68.752 0.367 4.3 12 1.4 0.0
117 1 5 3 34.54 69.08 0.368 4.26 12 8.9 0.8
118 5 1 3 34.54 69.08 0.368 4.26 12 27.5 7.4
119 3 4 2 34.861 69.722 0.371 4.18 12 39.8 15.1
120 4 3 2 34.861 69.722 0.371 4.18 12 36.3 12.5
121 1 1 6 34.936 69.873 0.372 4.16 12 31.0 9.1
122 5 0 4 35.251 70.502 0.375 4.09 12 16.9 2.7
123 2 0 6 35.418 70.836 0.376 4.05 12 8.1 0.6
124 4 0 5 35.542 71.084 0.377 4.02 12 42.5 16.6
125 1 6 0 35.694 71.387 0.379 3.99 6 17.1 1.3
126 6 1 0 35.694 71.387 0.379 3.99 6 2.9 0.0
127 2 5 2 35.822 71.645 0.38 3.96 12 23.4 4.9
128 5 2 2 35.822 71.645 0.38 3.96 12 75.8 51.9
129 1 6 1 36.203 72.406 0.383 3.88 12 6.5 0.4
130 6 1 1 36.203 72.406 0.383 3.88 12 9.1 0.7
131 3 3 4 36.208 72.416 0.383 3.88 12 6.9 0.4
132 2 4 4 36.683 73.365 0.388 3.78 12 32.1 8.9
133 4 2 4 36.683 73.365 0.388 3.78 12 4.5 0.2
134 1 2 6 36.847 73.693 0.389 3.75 12 16.3 2.3
135 2 1 6 36.847 73.693 0.389 3.75 12 5.4 0.2
136 6 0 3 36.932 73.865 0.39 3.73 12 25.4 5.5
137 2 3 5 36.969 73.938 0.39 3.73 12 47.7 19.4
138 3 2 5 36.969 73.938 0.39 3.73 12 95.9 78.2
139 3 4 3 37.403 74.807 0.394 3.65 12 66.3 36.6
140 4 3 3 37.403 74.807 0.394 3.65 12 27.2 6.2
141 1 6 2 37.715 75.429 0.397 3.59 12 20.3 3.4
142 6 1 2 37.715 75.429 0.397 3.59 12 42.8 15.0
143 3 0 6 37.788 75.575 0.398 3.58 12 77.7 49.3
144 1 4 5 37.909 75.818 0.399 3.56 12 5.5 0.2
145 4 1 5 37.909 75.818 0.399 3.56 12 13.9 1.6
146 4 4 0 38.057 76.113 0.4 3.53 6 16.9 1.1
147 1 5 4 38.093 76.186 0.4 3.53 12 20.6 3.4
148 5 1 4 38.093 76.186 0.4 3.53 12 17.1 2.4
149 2 5 3 38.34 76.679 0.403 3.49 12 17.1 2.3
150 5 2 3 38.34 76.679 0.403 3.49 12 2.0 0.0
151 3 5 0 38.523 77.046 0.404 3.46 6 69.1 18.9
152 5 3 0 38.523 77.046 0.404 3.46 6 54.2 11.6
153 7 0 0 38.523 77.046 0.404 3.46 6 31.2 3.9
154 4 4 1 38.554 77.109 0.405 3.46 12 8.3 0.5
155 3 5 1 39.019 78.038 0.409 3.39 12 20.8 3.3
156 5 3 1 39.019 78.038 0.409 3.39 12 49.2 18.7
157 7 0 1 39.019 78.038 0.409 3.39 12 35.9 10.0
158 2 2 6 39.184 78.369 0.41 3.36 12 79.7 48.7
159 1 3 6 39.647 79.294 0.414 3.3 12 48.0 17.3
160 3 1 6 39.647 79.294 0.414 3.3 12 58.1 25.4
161 5 0 5 39.766 79.533 0.415 3.28 12 96.9 70.4
162 2 6 0 39.912 79.824 0.416 3.27 6 8.6 0.3
163 6 2 0 39.912 79.824 0.416 3.27 6 55.7 11.6
164 4 4 2 40.036 80.072 0.418 3.25 12 21.6 3.5
165 1 6 3 40.191 80.382 0.419 3.23 12 4.9 0.2
166 6 1 3 40.191 80.382 0.419 3.23 12 23.8 4.2
167 2 6 1 40.403 80.806 0.421 3.21 12 12.1 1.1
168 6 2 1 40.403 80.806 0.421 3.21 12 16.0 1.9
169 6 0 4 40.408 80.816 0.421 3.21 12 57.0 23.8
170 3 5 2 40.496 80.992 0.422 3.19 12 46.5 15.8
171 5 3 2 40.496 80.992 0.422 3.19 12 55.0 22.0
172 7 0 2 40.496 80.992 0.422 3.19 12 106.3 82.4
173 1 0 7 40.51 81.021 0.422 3.19 12 2.3 0.0
174 3 3 5 40.686 81.373 0.423 3.17 12 38.1 10.5
175 3 4 4 40.867 81.734 0.425 3.15 12 48.3 16.8
176 4 3 4 40.867 81.734 0.425 3.15 12 7.9 0.4
177 4 0 6 41.026 82.052 0.426 3.14 12 36.9 9.8
178 2 4 5 41.145 82.289 0.427 3.12 12 27.1 5.2
179 4 2 5 41.145 82.289 0.427 3.12 12 39.7 11.2
180 1 1 7 41.427 82.853 0.429 3.09 12 10.5 0.8
181 2 5 4 41.782 83.563 0.433 3.06 12 28.8 5.8
182 5 2 4 41.782 83.563 0.433 3.06 12 51.0 18.2
183 2 6 2 41.869 83.738 0.433 3.05 12 5.6 0.2
184 6 2 2 41.869 83.738 0.433 3.05 12 30.8 6.6
185 2 0 7 41.883 83.767 0.433 3.05 12 31.1 6.7
186 1 7 0 42.202 84.404 0.436 3.02 6 31.4 3.4
187 7 1 0 42.202 84.404 0.436 3.02 6 17.0 1.0
188 2 3 6 42.396 84.792 0.438 3.0 12 2.1 0.0
189 3 2 6 42.396 84.792 0.438 3.0 12 27.5 5.2
190 4 4 3 42.478 84.957 0.438 3.0 12 81.0 44.9
191 1 5 5 42.514 85.028 0.439 2.99 12 29.2 5.8
192 5 1 5 42.514 85.028 0.439 2.99 12 47.4 15.3
193 1 7 1 42.688 85.377 0.44 2.98 12 17.3 2.0
194 7 1 1 42.688 85.377 0.44 2.98 12 5.6 0.2
195 3 5 3 42.933 85.867 0.442 2.96 12 9.2 0.6
196 5 3 3 42.933 85.867 0.442 2.96 12 8.7 0.5
197 7 0 3 42.933 85.867 0.442 2.96 12 78.4 41.5
198 1 2 7 43.249 86.498 0.445 2.94 12 27.1 4.9
199 2 1 7 43.249 86.498 0.445 2.94 12 12.7 1.1
200 1 4 6 43.306 86.611 0.445 2.93 12 25.6 4.4
201 4 1 6 43.306 86.611 0.445 2.93 12 4.2 0.1
202 1 6 4 43.602 87.204 0.448 2.91 12 11.0 0.8
203 6 1 4 43.602 87.204 0.448 2.91 12 1.0 0.0
204 4 5 0 44.021 88.042 0.451 2.88 6 16.7 0.9
205 5 4 0 44.021 88.042 0.451 2.88 6 15.1 0.8
206 1 7 2 44.143 88.286 0.452 2.88 12 29.8 5.8
207 7 1 2 44.143 88.286 0.452 2.88 12 10.7 0.8
208 3 0 7 44.157 88.315 0.452 2.87 12 4.5 0.1
209 2 6 3 44.296 88.592 0.453 2.87 12 20.1 2.7
210 6 2 3 44.296 88.592 0.453 2.87 12 9.7 0.6
211 4 5 1 44.505 89.01 0.455 2.85 12 4.2 0.1
212 5 4 1 44.505 89.01 0.455 2.85 12 19.6 2.5
213 6 0 5 44.785 89.57 0.457 2.84 12 28.1 5.1
214 3 6 0 44.928 89.856 0.458 2.83 6 16.8 0.9
215 6 3 0 44.928 89.856 0.458 2.83 6 25.7 2.1
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 1 0 8.865 17.73 4.99825 42.0 4.9 4.9 5.6
2 2 0 0 10.25 20.501 4.32861 142.6 16.6 16.7 5.6
3 1 1 1 10.337 20.675 4.29262 67.9 7.9 8.0 5.6
4 0 0 2 10.594 21.188 4.1898 425.3 49.6 49.9 5.6
5 2 0 1 11.554 23.108 3.84581 671.3 78.2 78.6 5.6
6 1 0 2 11.785 23.571 3.77135 45.1 5.3 5.3 5.6
7 1 2 0 13.616 27.231 3.27212 471.9 55.0 55.1 5.6
8 2 1 1 14.638 29.277 3.04799 97.2 11.3 11.3 5.6
9 2 0 2 14.825 29.649 3.01051 858.0 100.0 100.0 5.6
10 3 0 0 15.481 30.963 2.88574 402.1 46.9 46.8 5.6
11 1 0 3 16.844 33.688 2.65826 9.7 1.1 1.1 5.7
12 1 2 2 17.379 34.758 2.57886 231.5 27.0 26.9 5.7
13 2 2 0 17.952 35.904 2.49913 151.9 17.7 17.6 5.7
14 1 1 3 18.416 36.831 2.43829 16.2 1.9 1.9 5.7
15 3 1 0 18.712 37.423 2.40108 122.2 14.2 14.1 5.7
16 2 2 1 18.762 37.524 2.39489 24.2 2.8 2.8 5.7
17 3 0 2 18.912 37.824 2.37658 21.2 2.5 2.5 5.7
18 2 0 3 19.16 38.319 2.34698 400.4 46.7 46.3 5.7
19 1 3 1 19.494 38.989 2.30819 238.3 27.8 27.5 5.7
20 4 0 0 20.849 41.697 2.16431 40.7 4.7 4.7 5.7
21 2 2 2 21.032 42.064 2.14631 12.2 1.4 1.4 5.7
22 2 1 3 21.259 42.518 2.12443 76.8 8.9 8.8 5.7
23 0 0 4 21.573 43.147 2.0949 144.7 16.9 16.6 5.7
24 1 3 2 21.7 43.4 2.08324 67.2 7.8 7.7 5.7
25 1 0 4 22.229 44.457 2.03613 11.3 1.3 1.3 5.7
26 2 3 0 22.82 45.64 1.9861 33.3 3.9 3.8 5.7
27 3 2 1 23.489 46.979 1.93256 104.8 12.2 12.0 5.7
28 4 0 2 23.615 47.229 1.9229 49.6 5.8 5.7 5.7
29 1 4 0 24.063 48.125 1.88916 33.6 3.9 3.8 5.7
30 2 0 4 24.11 48.22 1.88567 42.8 5.0 4.9 5.7
31 4 1 1 24.706 49.413 1.84291 30.7 3.6 3.5 5.7
32 3 1 3 25.027 50.054 1.82081 10.2 1.2 1.2 5.7
33 2 3 2 25.417 50.834 1.79467 74.3 8.7 8.5 5.8
34 2 1 4 25.887 51.774 1.76429 25.3 2.9 2.9 5.8
35 5 0 0 26.415 52.831 1.73144 13.7 1.6 1.6 5.8
36 1 4 2 26.569 53.137 1.72219 14.0 1.6 1.6 5.8
37 4 0 3 26.759 53.518 1.71083 33.1 3.9 3.8 5.8
38 5 0 1 27.018 54.037 1.69563 79.3 9.2 9.0 5.8
39 2 4 0 28.087 56.174 1.63606 56.9 6.6 6.4 5.8
40 3 2 3 28.417 56.834 1.61863 118.2 13.8 13.4 5.8
41 4 2 1 28.666 57.332 1.60574 31.2 3.6 3.5 5.8
42 5 0 2 28.775 57.55 1.60019 66.9 7.8 7.6 5.8
43 1 1 5 28.997 57.994 1.58898 11.6 1.3 1.3 5.8
44 1 3 4 29.207 58.414 1.57854 15.4 1.8 1.7 5.8
45 1 4 3 29.488 58.976 1.56485 98.7 11.5 11.1 5.8
46 2 0 5 29.529 59.058 1.56287 171.9 20.0 19.4 5.8
47 5 1 0 29.696 59.391 1.55488 37.4 4.4 4.2 5.8
48 3 3 2 29.838 59.675 1.54817 23.3 2.7 2.6 5.8
49 5 1 1 30.255 60.51 1.52879 24.4 2.8 2.7 5.8
50 4 2 2 30.36 60.721 1.52399 46.4 5.4 5.2 5.8
51 4 0 4 30.779 61.558 1.50526 13.6 1.6 1.5 5.8
52 2 1 5 31.091 62.181 1.49165 11.5 1.3 1.3 5.8
53 5 0 3 31.562 63.123 1.47164 72.3 8.4 8.1 5.9
54 5 1 2 31.898 63.796 1.45774 37.7 4.4 4.2 5.9
55 6 0 0 32.266 64.532 1.44287 13.0 1.5 1.5 5.9
56 3 2 4 32.305 64.61 1.44131 14.8 1.7 1.7 5.9
57 3 3 3 32.57 65.14 1.43087 118.2 13.8 13.2 5.9
58 4 3 1 33.296 66.592 1.40314 12.8 1.5 1.4 5.9
59 0 0 6 33.473 66.945 1.3966 37.6 4.4 4.2 5.9
60 5 2 0 33.756 67.511 1.38627 235.7 27.5 26.2 5.9
61 1 3 5 34.091 68.181 1.37427 78.2 9.1 8.7 5.9
62 3 4 2 34.861 69.722 1.34761 27.6 3.2 3.1 5.9
63 1 1 6 34.936 69.873 1.34508 9.1 1.1 1.0 5.9
64 4 0 5 35.542 71.084 1.32509 16.6 1.9 1.8 5.9
65 5 2 2 35.822 71.645 1.3161 56.9 6.6 6.3 5.9
66 2 4 4 36.683 73.365 1.28943 9.1 1.1 1.0 6.0
67 3 2 5 36.969 73.938 1.28085 97.5 11.4 10.7 6.0
68 3 4 3 37.403 74.807 1.26811 42.7 5.0 4.7 6.0
69 6 1 2 37.715 75.429 1.25918 18.4 2.1 2.0 6.0
70 3 0 6 37.788 75.575 1.25712 49.3 5.7 5.4 6.0
71 3 5 0 38.523 77.046 1.23675 34.3 4.0 3.7 6.0
72 7 0 1 39.019 78.038 1.22349 32.0 3.7 3.5 6.0
73 2 2 6 39.184 78.369 1.21915 48.7 5.7 5.3 6.0
74 3 1 6 39.647 79.294 1.20723 42.8 5.0 4.7 6.0
75 5 0 5 39.766 79.533 1.20421 70.4 8.2 7.7 6.0
76 6 2 0 39.912 79.824 1.20054 11.6 1.3 1.3 6.0
77 6 0 4 40.408 80.816 1.18829 26.7 3.1 2.9 6.1
78 7 0 2 40.496 80.992 1.18615 120.2 14.0 13.0 6.1
79 3 3 5 40.686 81.373 1.18156 10.5 1.2 1.1 6.1
80 3 4 4 40.867 81.734 1.17725 17.2 2.0 1.9 6.1
81 4 0 6 41.026 82.052 1.17349 9.8 1.1 1.1 6.1
82 4 2 5 41.145 82.289 1.17071 16.4 1.9 1.8 6.1
83 5 2 4 41.782 83.563 1.15607 23.9 2.8 2.6 6.1
84 2 0 7 41.883 83.767 1.15378 13.3 1.6 1.4 6.1
85 4 4 3 42.478 84.957 1.14063 44.9 5.2 4.8 6.1
86 5 1 5 42.514 85.028 1.13986 21.2 2.5 2.3 6.1
87 7 0 3 42.933 85.867 1.13085 41.5 4.8 4.4 6.1
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)
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