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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CYRILOVITE
1, f-wardite
NaFe(3)(OH)(4)[PO(4)](2).2H(2)O
Tetragonal P 4(1)2(1)2 Z = 4
R =0.053
16 .4 .1990
Ref.Str.:
Cozzupoli D., Grubessi O., Mottana A., Zanazzi P. F. (1987)
* Mineralogy and Petrology, 37, 1-14
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.313 alpha = 90.0
b = 7.313 beta = 90.0
c = 19.315 gamma = 90.0
Unit cell volume (cub. angs.) = 1032.97
Molar volume ( cub.cm/mol.) = 155.55
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1411 0.366 0.3502 0.0 P = 1.00
2 0.3953 0.1082 0.2577 0.0 Fe = 1.00
3 0.1035 0.1035 0.0 0.0 Fe = 1.00
4 0.3755 0.3755 0.5 0.0 Na = 1.00
5 0.9669 0.4252 0.3139 0.0 O = 1.00
6 0.295 0.5065 0.3387 0.0 O = 1.00
7 0.1981 0.1801 0.3197 0.0 O = 1.00
8 0.1058 0.3487 0.4285 0.0 O = 1.00
9 0.1379 0.3529 0.9569 0.0 O = 1.00
10 0.1754 0.0253 0.1888 0.0 O = 1.00
11 0.4106 0.3492 0.2109 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1411 0.366 0.3502
2 2 0.3953 0.1082 0.2577
3 3 0.1035 0.1035 0.0
4 4 0.3755 0.3755 0.5
5 5 0.9669 0.4252 0.3139
6 6 0.295 0.5065 0.3387
7 7 0.1981 0.1801 0.3197
8 8 0.1058 0.3487 0.4285
9 9 0.1379 0.3529 0.9569
10 10 0.1754 0.0253 0.1888
11 11 0.4106 0.3492 0.2109
12 1 0.366 0.1411 0.6498
13 2 0.1082 0.3953 0.7423
14 5 0.4252 0.9669 0.6861
15 6 0.5065 0.295 0.6613
16 7 0.1801 0.1981 0.6803
17 8 0.3487 0.1058 0.5715
18 9 0.3529 0.1379 0.0431
19 10 0.0253 0.1754 0.8112
20 11 0.3492 0.4106 0.7891
21 1 0.134 0.6411 0.6002
22 1 0.8589 0.634 0.8502
23 1 0.866 0.3589 0.1002
24 2 0.3918 0.8953 0.5077
25 2 0.6047 0.8918 0.7577
26 2 0.6082 0.1047 0.0077
27 3 0.3965 0.6035 0.25
28 3 0.8965 0.8965 0.5
29 3 0.6035 0.3965 0.75
30 4 0.1245 0.8755 0.75
31 4 0.6245 0.6245 0.0
32 4 0.8755 0.1245 0.25
33 5 0.0748 0.4669 0.5639
34 5 0.0331 0.5748 0.8139
35 5 0.9252 0.5331 0.0639
36 6 0.9935 0.795 0.5887
37 6 0.705 0.4935 0.8387
38 6 0.0065 0.205 0.0887
39 7 0.3199 0.6981 0.5697
40 7 0.8019 0.8199 0.8197
41 7 0.6801 0.3019 0.0697
42 8 0.1513 0.6058 0.6785
43 8 0.8942 0.6513 0.9285
44 8 0.8487 0.3942 0.1785
45 9 0.1471 0.6379 0.2069
46 9 0.8621 0.6471 0.4569
47 9 0.8529 0.3621 0.7069
48 10 0.4747 0.6754 0.4388
49 10 0.8246 0.9747 0.6888
50 10 0.5253 0.3246 0.9388
51 11 0.1508 0.9106 0.4609
52 11 0.5894 0.6508 0.7109
53 11 0.8492 0.0894 0.9609
54 1 0.3589 0.866 0.8998
55 1 0.634 0.8589 0.1498
56 1 0.6411 0.134 0.3998
57 2 0.1047 0.6082 0.9923
58 2 0.8918 0.6047 0.2423
59 2 0.8953 0.3918 0.4923
60 5 0.5331 0.9252 0.9361
61 5 0.5748 0.0331 0.1861
62 5 0.4669 0.0748 0.4361
63 6 0.205 0.0065 0.9113
64 6 0.4935 0.705 0.1613
65 6 0.795 0.9935 0.4113
66 7 0.3019 0.6801 0.9303
67 7 0.8199 0.8019 0.1803
68 7 0.6981 0.3199 0.4303
69 8 0.3942 0.8487 0.8215
70 8 0.6513 0.8942 0.0715
71 8 0.6058 0.1513 0.3215
72 9 0.3621 0.8529 0.2931
73 9 0.6471 0.8621 0.5431
74 9 0.6379 0.1471 0.7931
75 10 0.3246 0.5253 0.0612
76 10 0.9747 0.8246 0.3112
77 10 0.6754 0.4747 0.5612
78 11 0.0894 0.8492 0.0391
79 11 0.6508 0.5894 0.2891
80 11 0.9106 0.1508 0.5391
X-ray density (g/cm cub.) = 3.06
MU (1/cm) = 134.76 Mass attenuation coefficient (cm**2/g) = 44.0
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 P 2.232 4
1.5172 5
1.54 6
1.5392 7
1.5394 8
2 Fe 2.592 6
1.9469 7
2.1736 10
1.9839 11
1.9843 5
1.9969 8
2.003 9
3 Fe 2.592 6
2.0206 9
2.0206 9
1.9973 6
2.0098 11
1.9973 6
2.0098 11
4 Na 2.808 8
2.4157 8
2.4157 8
2.6088 5
2.7465 7
2.5949 10
2.6088 5
2.7465 7
2.5949 10
5 O 3.264 8
2.5179 6
2.4666 7
2.4989 8
2.7637 8
2.903 9
3.0841 7
2.9218 10
2.6486 11
6 O 3.264 8
2.5179 5
2.5168 7
2.5009 8
2.8515 11
2.9281 9
2.644 10
2.7265 9
2.8382 11
7 O 3.264 9
2.4666 5
2.5168 6
2.5282 8
2.7752 10
2.8914 11
3.0841 5
2.9891 8
2.7254 9
3.0749 10
8 O 3.264 7
2.4989 5
2.5009 6
2.5282 7
2.7637 5
2.8704 9
2.9891 7
2.9489 11
9 O 3.264 10
2.7778 9
3.2067 10
2.903 5
2.9281 6
2.8704 8
2.862 10
2.8595 11
2.7265 6
2.7254 7
2.7408 10
10 O 3.264 10
2.7752 7
2.9583 11
3.2067 9
2.644 6
2.862 9
2.9218 5
3.0749 7
2.7408 9
3.1461 10
3.2272 11
11 O 3.264 9
2.8515 6
2.8914 7
2.9583 10
2.8595 9
2.6486 5
2.8382 6
2.9489 8
3.2272 10
2.9073 11
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 1 0 1 7.515 15.03 0.073 113.98 8 14.0 16.6
2 1 0 2 8.825 17.65 0.086 82.03 8 63.0 244.2
3 1 1 0 9.961 19.922 0.097 63.93 4 103.0 254.2
4 1 1 1 10.315 20.631 0.1 59.46 8 13.5 8.2
5 1 0 3 10.667 21.334 0.103 55.47 8 120.5 604.1
6 0 0 4 10.675 21.35 0.104 55.38 2 233.5 566.2
7 1 1 2 11.315 22.631 0.11 49.06 8 42.9 67.7
8 1 1 3 12.818 25.636 0.124 37.77 8 65.3 120.7
9 1 0 4 12.825 25.65 0.124 37.73 8 28.0 22.3
10 2 0 0 14.159 28.319 0.137 30.59 4 54.9 34.5
11 2 0 1 14.416 28.833 0.139 29.44 8 147.2 478.5
12 1 1 4 14.681 29.362 0.142 28.32 8 2.3 0.1
13 2 0 2 15.163 30.326 0.146 26.43 8 12.0 2.9
14 1 0 5 15.181 30.362 0.146 26.36 8 4.6 0.4
15 2 1 0 15.872 31.745 0.153 23.95 8 43.0 33.2
16 2 1 1 16.104 32.209 0.155 23.21 16 103.1 369.9
17 2 0 3 16.339 32.678 0.157 22.5 8 221.6 828.0
18 2 1 2 16.783 33.567 0.161 21.22 16 96.9 298.6
19 1 1 5 16.799 33.599 0.162 21.18 8 107.2 182.4
20 1 0 6 17.673 35.346 0.17 18.96 8 51.5 37.8
21 2 1 3 17.864 35.728 0.171 18.52 16 48.6 65.5
22 2 0 4 17.869 35.738 0.172 18.51 8 72.1 72.2
23 1 1 6 19.105 38.21 0.183 15.98 8 36.2 15.7
24 2 1 4 19.288 38.577 0.185 15.64 16 21.6 10.9
25 2 0 5 19.684 39.367 0.188 14.96 8 240.2 647.1
26 2 2 0 20.24 40.479 0.193 14.06 4 8.0 0.3
27 1 0 7 20.272 40.543 0.194 14.01 8 36.1 13.7
28 2 2 1 20.428 40.856 0.195 13.77 8 60.6 37.9
29 2 2 2 20.985 41.971 0.2 12.97 8 156.3 237.6
30 2 1 5 20.999 41.998 0.2 12.95 16 43.2 36.3
31 1 1 7 21.557 43.114 0.205 12.21 8 29.0 7.7
32 3 0 1 21.706 43.412 0.207 12.02 8 4.8 0.2
33 2 0 6 21.728 43.455 0.207 11.99 8 30.9 8.6
34 0 0 8 21.745 43.49 0.207 11.97 2 63.5 9.0
35 2 2 3 21.888 43.777 0.208 11.8 8 28.7 7.3
36 3 0 2 22.237 44.474 0.212 11.38 8 6.6 0.4
37 3 1 0 22.754 45.509 0.216 10.81 8 27.7 6.2
38 3 1 1 22.926 45.852 0.218 10.63 16 12.1 2.3
39 2 1 6 22.947 45.894 0.218 10.6 16 25.7 10.5
40 1 0 8 22.963 45.927 0.218 10.59 8 115.1 105.3
41 3 0 3 23.101 46.202 0.219 10.45 8 37.2 10.9
42 2 2 4 23.105 46.21 0.219 10.44 8 26.9 5.6
43 3 1 2 23.435 46.871 0.222 10.11 16 29.1 12.8
44 2 0 7 23.96 47.921 0.227 9.62 8 187.2 252.7
45 1 1 8 24.134 48.267 0.229 9.46 8 5.6 0.2
46 3 1 3 24.266 48.532 0.23 9.34 16 43.8 26.9
47 3 0 4 24.27 48.54 0.23 9.34 8 137.4 132.2
48 2 2 5 24.6 49.201 0.233 9.06 8 73.1 36.3
49 2 1 7 25.095 50.191 0.237 8.65 16 42.4 23.4
50 3 1 4 25.395 50.789 0.24 8.42 16 28.2 10.1
51 3 0 5 25.714 51.428 0.243 8.19 8 86.5 45.9
52 1 0 9 25.744 51.489 0.243 8.17 8 57.8 20.4
53 3 2 0 26.168 52.335 0.247 7.87 8 9.8 0.6
54 3 2 1 26.322 52.645 0.248 7.76 16 19.8 4.5
55 2 2 6 26.341 52.682 0.248 7.75 8 234.9 320.7
56 2 0 8 26.356 52.712 0.248 7.74 8 42.2 10.4
57 3 2 2 26.783 53.567 0.252 7.46 16 36.7 15.0
58 3 1 5 26.794 53.589 0.252 7.46 16 96.9 104.9
59 1 1 9 26.824 53.648 0.252 7.44 8 10.7 0.6
60 3 0 6 27.404 54.808 0.257 7.08 8 41.1 9.0
61 2 1 8 27.419 54.837 0.257 7.07 16 9.6 1.0
62 3 2 3 27.54 55.08 0.258 7.0 16 46.5 22.7
63 2 2 7 28.3 56.6 0.265 6.58 8 63.8 20.1
64 3 1 6 28.44 56.88 0.266 6.51 16 32.0 10.0
65 3 2 4 28.576 57.152 0.267 6.44 16 40.7 16.0
66 1 0 10 28.618 57.236 0.268 6.42 8 59.1 16.8
67 2 0 9 28.899 57.798 0.27 6.28 8 139.5 91.6
68 4 0 0 29.291 58.582 0.273 6.09 4 328.1 245.8
69 3 0 7 29.315 58.63 0.274 6.08 8 75.2 25.8
70 4 0 1 29.435 58.869 0.275 6.03 8 107.6 52.3
71 1 1 10 29.626 59.253 0.276 5.94 8 47.8 10.2
72 4 0 2 29.863 59.727 0.278 5.83 8 21.5 2.0
73 3 2 5 29.874 59.747 0.278 5.83 16 6.6 0.4
74 2 1 9 29.901 59.802 0.279 5.82 16 38.4 12.9
75 4 1 0 30.285 60.57 0.282 5.65 8 1.6 0.0
76 3 1 7 30.309 60.618 0.282 5.64 16 19.9 3.4
77 4 1 1 30.426 60.852 0.283 5.59 16 32.1 8.6
78 2 2 8 30.456 60.913 0.283 5.58 8 7.3 0.2
79 4 0 3 30.57 61.139 0.284 5.54 8 60.1 15.0
80 4 1 2 30.846 61.692 0.287 5.43 16 36.5 10.8
81 3 3 0 31.26 62.52 0.29 5.27 4 120.1 28.5
82 3 3 1 31.398 62.797 0.291 5.22 8 60.4 14.3
83 3 2 6 31.415 62.83 0.291 5.21 16 60.9 29.0
84 3 0 8 31.428 62.857 0.291 5.21 8 77.5 23.5
85 4 1 3 31.54 63.079 0.292 5.17 16 52.8 21.6
86 4 0 4 31.543 63.086 0.292 5.17 8 187.5 136.1
87 2 0 10 31.583 63.166 0.293 5.15 8 13.4 0.7
88 1 0 11 31.593 63.186 0.293 5.15 8 34.2 4.5
89 3 3 2 31.811 63.622 0.295 5.07 8 30.6 3.6
90 3 1 8 32.383 64.767 0.299 4.88 16 36.4 9.7
91 3 3 3 32.493 64.986 0.3 4.84 8 47.8 8.3
92 4 1 4 32.496 64.993 0.3 4.84 16 26.3 5.0
93 2 1 10 32.536 65.071 0.301 4.83 16 39.9 11.5
94 1 1 11 32.545 65.091 0.301 4.83 8 59.8 12.9
95 4 0 5 32.77 65.54 0.303 4.76 8 85.7 26.2
96 2 2 9 32.796 65.592 0.303 4.75 8 44.8 7.1
97 4 2 0 33.161 66.322 0.306 4.64 8 44.1 6.8
98 3 2 7 33.184 66.367 0.306 4.63 16 58.8 24.0
99 4 2 1 33.295 66.59 0.307 4.6 16 96.5 64.2
100 3 3 4 33.435 66.87 0.308 4.56 8 41.3 5.8
101 4 2 2 33.695 67.391 0.31 4.48 16 96.7 62.8
102 4 1 5 33.705 67.41 0.31 4.48 16 44.8 13.5
103 3 0 9 33.731 67.461 0.31 4.47 8 17.5 1.0
104 0 0 12 33.76 67.519 0.311 4.46 2 225.3 42.5
105 4 0 6 34.238 68.477 0.315 4.34 8 23.0 1.7
106 4 2 3 34.358 68.715 0.315 4.3 16 187.0 225.8
107 2 0 11 34.409 68.817 0.316 4.29 8 107.5 37.2
108 3 3 5 34.627 69.255 0.318 4.24 8 38.0 4.6
109 3 1 9 34.653 69.305 0.318 4.23 16 25.0 4.0
110 1 0 12 34.681 69.362 0.318 4.22 8 26.0 2.1
111 4 1 6 35.154 70.309 0.322 4.11 16 47.8 14.1
112 3 2 8 35.167 70.334 0.322 4.11 16 60.7 22.6
113 4 2 4 35.275 70.55 0.323 4.08 16 48.2 14.2
114 2 2 10 35.313 70.626 0.323 4.07 8 328.1 328.6
115 2 1 11 35.322 70.645 0.323 4.07 16 39.0 9.3
116 1 1 12 35.592 71.184 0.325 4.01 8 26.2 2.1
117 4 0 7 35.937 71.873 0.328 3.93 8 58.3 10.0
118 3 3 6 36.06 72.119 0.329 3.91 8 34.1 3.4
119 3 0 10 36.217 72.433 0.33 3.87 8 8.8 0.2
120 4 2 5 36.44 72.88 0.332 3.83 16 158.3 143.8
121 4 1 7 36.834 73.668 0.335 3.75 16 9.6 0.5
122 3 1 10 37.111 74.223 0.337 3.7 16 44.0 10.7
123 3 2 9 37.357 74.715 0.339 3.65 16 34.9 6.7
124 2 0 12 37.385 74.77 0.339 3.65 8 34.7 3.3
125 4 3 0 37.702 75.404 0.342 3.59 8 37.2 3.7
126 3 3 7 37.723 75.447 0.342 3.59 8 19.6 1.0
127 4 3 1 37.829 75.658 0.343 3.57 16 35.4 6.7
128 5 0 1 37.829 75.658 0.343 3.57 8 26.8 1.9
129 4 2 6 37.844 75.688 0.343 3.57 16 91.0 44.3
130 4 0 8 37.856 75.713 0.343 3.57 8 174.4 81.4
131 1 0 13 37.902 75.805 0.343 3.56 8 76.7 15.7
132 2 2 11 38.008 76.015 0.344 3.54 8 116.8 36.3
133 4 3 2 38.209 76.417 0.346 3.51 16 33.2 5.8
134 5 0 2 38.209 76.417 0.346 3.51 8 100.9 26.8
135 2 1 12 38.27 76.539 0.346 3.5 16 57.4 17.3
136 5 1 0 38.584 77.169 0.349 3.45 8 97.5 24.6
137 5 1 1 38.71 77.421 0.35 3.43 16 25.0 3.2
138 4 1 8 38.738 77.475 0.35 3.43 16 74.0 28.1
139 1 1 13 38.783 77.566 0.35 3.42 8 2.4 0.0
140 4 3 3 38.839 77.678 0.351 3.41 16 51.1 13.3
141 5 0 3 38.839 77.678 0.351 3.41 8 51.6 6.8
142 3 0 11 38.888 77.775 0.351 3.41 8 73.3 13.7
143 5 1 2 39.087 78.175 0.352 3.38 16 3.8 0.1
144 4 2 7 39.482 78.963 0.355 3.32 16 124.5 77.2
145 3 3 8 39.613 79.226 0.356 3.3 8 18.6 0.9
146 5 1 3 39.714 79.427 0.357 3.29 16 44.3 9.7
147 4 3 4 39.717 79.434 0.357 3.29 16 29.9 4.4
148 5 0 4 39.717 79.434 0.357 3.29 8 15.2 0.6
149 3 2 10 39.753 79.506 0.357 3.29 16 61.3 18.5
150 3 1 11 39.762 79.524 0.358 3.29 16 9.3 0.4
151 4 0 9 39.994 79.987 0.359 3.26 8 32.0 2.5
152 2 0 13 40.528 81.056 0.363 3.19 8 131.7 41.5
153 5 1 4 40.586 81.173 0.364 3.18 16 2.3 0.0
154 4 3 5 40.838 81.676 0.366 3.16 16 39.4 7.3
155 5 0 5 40.838 81.676 0.366 3.16 8 21.2 1.1
156 4 1 9 40.862 81.724 0.366 3.15 16 17.9 1.5
157 2 2 12 40.889 81.778 0.366 3.15 8 0.4 0.0
158 5 2 0 41.198 82.396 0.368 3.12 8 21.8 1.1
159 1 0 14 41.282 82.564 0.369 3.11 8 7.5 0.1
160 5 2 1 41.322 82.644 0.369 3.1 16 40.4 7.6
161 4 2 8 41.349 82.698 0.369 3.1 16 37.7 6.6
162 2 1 13 41.394 82.788 0.37 3.1 16 104.6 50.8
163 5 2 2 41.693 83.387 0.372 3.07 16 102.0 47.9
164 5 1 5 41.702 83.405 0.372 3.07 16 24.5 2.8
165 3 3 9 41.726 83.452 0.372 3.06 8 41.4 3.9
166 3 0 12 41.753 83.506 0.372 3.06 8 67.6 10.5
167 1 1 14 42.145 84.289 0.375 3.03 8 16.4 0.6
168 4 3 6 42.2 84.399 0.375 3.02 16 13.9 0.9
169 5 0 6 42.2 84.399 0.375 3.02 8 6.7 0.1
170 5 2 3 42.311 84.622 0.376 3.01 16 31.2 4.4
171 4 0 10 42.35 84.7 0.377 3.01 8 19.2 0.8
172 3 2 11 42.359 84.718 0.377 3.01 16 49.8 11.2
173 3 1 12 42.614 85.229 0.378 2.98 16 8.0 0.3
174 5 1 6 43.06 86.12 0.382 2.95 16 35.8 5.7
175 5 2 4 43.174 86.348 0.382 2.94 16 36.6 5.9
176 4 1 10 43.21 86.419 0.383 2.94 16 17.8 1.4
177 4 2 9 43.447 86.894 0.384 2.92 16 90.7 36.0
178 4 4 0 43.78 87.561 0.387 2.9 4 257.9 72.2
179 4 3 7 43.801 87.602 0.387 2.9 16 34.2 5.1
180 5 0 7 43.801 87.602 0.387 2.9 8 60.5 8.0
181 2 0 14 43.863 87.727 0.387 2.89 8 38.3 3.2
182 4 4 1 43.903 87.807 0.388 2.89 8 116.1 29.2
183 2 2 13 43.975 87.949 0.388 2.89 8 22.1 1.1
184 3 3 10 44.068 88.136 0.389 2.88 8 49.3 5.3
185 4 4 2 44.272 88.544 0.39 2.87 8 31.5 2.1
186 5 2 5 44.281 88.562 0.39 2.87 16 57.4 14.2
187 5 1 7 44.659 89.317 0.393 2.85 16 17.0 1.2
188 2 1 14 44.721 89.442 0.393 2.84 16 32.7 4.6
189 3 0 13 44.832 89.664 0.394 2.84 8 71.7 10.9
190 1 0 15 44.856 89.711 0.394 2.84 8 45.1 4.3
191 4 4 3 44.887 89.773 0.394 2.83 8 57.9 7.1
192 4 0 11 44.934 89.868 0.395 2.83 8 60.9 7.9
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 1 0 1 7.515 15.03 6.83921 16.6 1.4 1.4 5.6
2 1 0 2 8.825 17.65 5.83009 244.2 20.9 20.9 5.6
3 1 1 0 9.961 19.922 5.17107 254.2 21.7 21.7 5.6
4 1 0 3 10.667 21.334 4.8324 1170.3 100.0 100.0 5.6
5 1 1 2 11.315 22.631 4.55871 67.7 5.8 5.8 5.6
6 1 1 3 12.818 25.636 4.03169 142.9 12.2 12.2 5.6
7 2 0 0 14.159 28.319 3.6565 34.5 2.9 2.9 5.6
8 2 0 1 14.416 28.833 3.59269 478.5 40.9 40.7 5.6
9 2 1 0 15.872 31.745 3.27047 33.2 2.8 2.8 5.6
10 2 1 1 16.104 32.209 3.22458 369.9 31.6 31.3 5.6
11 2 0 3 16.339 32.678 3.17952 828.0 70.8 70.1 5.6
12 2 1 2 16.783 33.567 3.09767 481.0 41.1 40.7 5.7
13 1 0 6 17.673 35.346 2.94634 37.8 3.2 3.2 5.7
14 2 0 4 17.869 35.738 2.91505 137.7 11.8 11.6 5.7
15 1 1 6 19.105 38.21 2.73287 15.7 1.3 1.3 5.7
16 2 0 5 19.684 39.367 2.65554 647.1 55.3 54.5 5.7
17 1 0 7 20.272 40.543 2.58163 13.7 1.2 1.2 5.7
18 2 2 1 20.428 40.856 2.56268 37.9 3.2 3.2 5.7
19 2 2 2 20.985 41.971 2.49758 273.9 23.4 23.0 5.7
20 0 0 8 21.745 43.49 2.41438 17.6 1.5 1.5 5.7
21 1 0 8 22.963 45.927 2.29266 118.1 10.1 9.9 5.7
22 3 0 3 23.101 46.202 2.27974 16.5 1.4 1.4 5.7
23 3 1 2 23.435 46.871 2.24899 12.8 1.1 1.1 5.7
24 2 0 7 23.96 47.921 2.20253 252.7 21.6 21.1 5.7
25 3 0 4 24.27 48.54 2.1761 159.1 13.6 13.3 5.7
26 2 2 5 24.6 49.201 2.14867 36.3 3.1 3.0 5.7
27 2 1 7 25.095 50.191 2.10895 23.4 2.0 1.9 5.7
28 3 0 5 25.714 51.428 2.06153 45.9 3.9 3.8 5.8
29 1 0 9 25.744 51.489 2.05927 20.4 1.7 1.7 5.8
30 2 2 6 26.341 52.682 2.01584 335.6 28.7 27.8 5.8
31 3 1 5 26.794 53.589 1.9842 119.9 10.2 9.9 5.8
32 3 2 3 27.54 55.08 1.93454 22.7 1.9 1.9 5.8
33 2 2 7 28.3 56.6 1.88669 20.1 1.7 1.7 5.8
34 3 2 4 28.576 57.152 1.86999 16.0 1.4 1.3 5.8
35 1 0 10 28.618 57.236 1.86746 16.8 1.4 1.4 5.8
36 2 0 9 28.899 57.798 1.85086 91.6 7.8 7.5 5.8
37 4 0 0 29.291 58.582 1.82825 271.6 23.2 22.3 5.8
38 4 0 1 29.435 58.869 1.82011 52.3 4.5 4.3 5.8
39 2 1 9 29.901 59.802 1.79429 12.9 1.1 1.1 5.8
40 4 0 3 30.57 61.139 1.75872 15.0 1.3 1.2 5.8
41 3 3 0 31.26 62.52 1.72369 28.5 2.4 2.3 5.8
42 3 2 6 31.415 62.83 1.71605 66.8 5.7 5.5 5.9
43 4 0 4 31.543 63.086 1.7098 157.8 13.5 12.9 5.9
44 3 3 3 32.493 64.986 1.66505 13.3 1.1 1.1 5.9
45 1 1 11 32.545 65.091 1.66267 24.5 2.1 2.0 5.9
46 4 0 5 32.77 65.54 1.65252 33.3 2.8 2.7 5.9
47 3 2 7 33.184 66.367 1.63425 30.7 2.6 2.5 5.9
48 4 2 1 33.295 66.59 1.62941 64.2 5.5 5.2 5.9
49 4 2 2 33.695 67.391 1.61229 76.3 6.5 6.2 5.9
50 0 0 12 33.76 67.519 1.60958 43.5 3.7 3.5 5.9
51 4 2 3 34.358 68.715 1.58492 225.8 19.3 18.3 5.9
52 2 0 11 34.409 68.817 1.58286 37.2 3.2 3.0 5.9
53 3 2 8 35.167 70.334 1.55299 36.7 3.1 3.0 5.9
54 4 2 4 35.275 70.55 1.54884 14.2 1.2 1.1 5.9
55 2 2 10 35.313 70.626 1.5474 337.9 28.9 27.3 5.9
56 4 2 5 36.44 72.88 1.50587 143.8 12.3 11.6 6.0
57 4 0 8 37.856 75.713 1.45752 134.3 11.5 10.7 6.0
58 1 0 13 37.902 75.805 1.45602 15.7 1.3 1.3 6.0
59 2 2 11 38.008 76.015 1.4526 36.3 3.1 2.9 6.0
60 5 0 2 38.209 76.417 1.44611 32.6 2.8 2.6 6.0
61 2 1 12 38.27 76.539 1.44416 17.3 1.5 1.4 6.0
62 5 1 0 38.584 77.169 1.4342 24.6 2.1 2.0 6.0
63 4 1 8 38.738 77.475 1.42941 31.4 2.7 2.5 6.0
64 4 3 3 38.839 77.678 1.42626 20.2 1.7 1.6 6.0
65 3 0 11 38.888 77.775 1.42476 13.7 1.2 1.1 6.0
66 4 2 7 39.482 78.963 1.40676 77.2 6.6 6.1 6.0
67 5 1 3 39.714 79.427 1.39989 14.7 1.3 1.2 6.0
68 3 2 10 39.753 79.506 1.39873 19.0 1.6 1.5 6.0
69 2 0 13 40.528 81.056 1.37647 41.5 3.5 3.3 6.1
70 5 2 1 41.322 82.644 1.35465 14.2 1.2 1.1 6.1
71 2 1 13 41.394 82.788 1.35272 50.8 4.3 4.0 6.1
72 5 2 2 41.693 83.387 1.34476 50.6 4.3 4.0 6.1
73 3 0 12 41.753 83.506 1.34319 14.4 1.2 1.1 6.1
74 4 2 9 43.447 86.894 1.30069 36.0 3.1 2.8 6.1
75 4 4 0 43.78 87.561 1.29277 85.3 7.3 6.6 6.2
76 4 4 1 43.903 87.807 1.28988 29.2 2.5 2.3 6.2
77 5 2 5 44.281 88.562 1.28113 16.3 1.4 1.3 6.2
78 3 0 13 44.832 89.664 1.26869 15.3 1.3 1.2 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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