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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CHEVKINITE_CE
2, f-perrierite
(Ce,Ca)(4)Fe''(Ti,Fe''',Nb)(4)Si(4)O(22)
Monoclinic C 2/m Z = 2
R =0.063 NR =1287
25 .7 .1905
Ref.Str.:
E. Sokolova, F.C. Hawthorne, G.D. Ventura, P.M. Kartashov (2004)
* Canad. Mineral., 42, 1013-1025
Reserv:
There are U(ij) in the article. The specimen from Mongolia. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.4 alpha = 90.0
b = 5.7232 beta = 100.54
c = 11.0573 gamma = 90.0
Unit cell volume (cub. angs.) = 833.69
Molar volume ( cub.cm/mol.) = 251.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3565 0.0 0.737 0.0 Ce = 0.46, La = 0.46, Ca = 0.08
2 0.0706 0.0 0.7434 0.0 Ce = 0.46, La = 0.46, Ca = 0.08
3 0.5 0.0 0.5 0.0 Fe = 0.89, Ca = 0.12
4 0.25 0.25 0.0 0.0 Fe = 0.58, Ti = 0.29, Nb = 0.08
5 0.0 0.0 0.0 0.0 Ti = 1.00
6 0.5 0.0 0.0 0.0 Ti = 1.00
7 0.202 0.5 0.7312 0.0 Si = 1.00
8 0.3596 0.5 0.5442 0.0 Si = 1.00
9 0.4781 0.2522 0.8732 0.0 O = 1.00
10 0.1467 0.0 0.9786 0.0 O = 1.00
11 0.1872 0.0 0.5963 0.0 O = 1.00
12 0.3478 0.0 0.9886 0.0 O = 1.00
13 0.4279 0.269 0.5905 0.0 O = 1.00
14 0.2277 0.264 0.8142 0.0 O = 1.00
15 0.0851 0.5 0.666 0.0 O = 1.00
16 0.2734 0.5 0.6308 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3565 0.0 0.737
2 2 0.0706 0.0 0.7434
3 3 0.5 0.0 0.5
4 4 0.25 0.25 0.0
5 5 0.0 0.0 0.0
6 6 0.5 0.0 0.0
7 7 0.202 0.5 0.7312
8 8 0.3596 0.5 0.5442
9 9 0.4781 0.2522 0.8732
10 10 0.1467 0.0 0.9786
11 11 0.1872 0.0 0.5963
12 12 0.3478 0.0 0.9886
13 13 0.4279 0.269 0.5905
14 14 0.2277 0.264 0.8142
15 15 0.0851 0.5 0.666
16 16 0.2734 0.5 0.6308
17 1 0.6435 0.0 0.263
18 2 0.9294 0.0 0.2566
19 4 0.75 0.75 0.0
20 7 0.798 0.5 0.2688
21 8 0.6404 0.5 0.4558
22 9 0.5219 0.7478 0.1268
23 10 0.8533 0.0 0.0214
24 11 0.8128 0.0 0.4037
25 12 0.6522 0.0 0.0114
26 13 0.5721 0.731 0.4095
27 14 0.7723 0.736 0.1858
28 15 0.9149 0.5 0.334
29 16 0.7266 0.5 0.3692
30 4 0.25 0.75 0.0
31 9 0.4781 0.7478 0.8732
32 13 0.4279 0.731 0.5905
33 14 0.2277 0.736 0.8142
34 4 0.75 0.25 0.0
35 9 0.5219 0.2522 0.1268
36 13 0.5721 0.269 0.4095
37 14 0.7723 0.264 0.1858
38 1 0.8565 0.5 0.737
39 2 0.5706 0.5 0.7434
40 3 0.0 0.5 0.5
41 5 0.5 0.5 0.0
42 6 0.0 0.5 0.0
43 7 0.702 0.0 0.7312
44 8 0.8596 0.0 0.5442
45 9 0.9781 0.2478 0.8732
46 10 0.6467 0.5 0.9786
47 11 0.6872 0.5 0.5963
48 12 0.8478 0.5 0.9886
49 13 0.9279 0.231 0.5905
50 14 0.7277 0.236 0.8142
51 15 0.5851 0.0 0.666
52 16 0.7734 0.0 0.6308
53 1 0.1435 0.5 0.263
54 2 0.4294 0.5 0.2566
55 7 0.298 0.0 0.2688
56 8 0.1404 0.0 0.4558
57 9 0.0219 0.7522 0.1268
58 10 0.3533 0.5 0.0214
59 11 0.3128 0.5 0.4037
60 12 0.1522 0.5 0.0114
61 13 0.0721 0.769 0.4095
62 14 0.2723 0.764 0.1858
63 15 0.4149 0.0 0.334
64 16 0.2266 0.0 0.3692
65 9 0.9781 0.7522 0.8732
66 13 0.9279 0.769 0.5905
67 14 0.7277 0.764 0.8142
68 9 0.0219 0.2478 0.1268
69 13 0.0721 0.231 0.4095
70 14 0.2723 0.236 0.1858
X-ray density (g/cm cub.) = 4.97
MU (1/cm) = 1300.249 Mass attenuation coefficient (cm**2/g) = 261.564
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ce ,La ,Ca 2.88 8
2.4719 9
2.5049 11
2.8058 12
2.5449 13
2.5551 14
2.4719 9
2.5449 13
2.5551 14
2 Ce ,La ,Ca 2.88 8
2.6144 10
2.4521 11
2.5929 14
2.5929 14
2.5023 9
2.661 13
2.5023 9
2.661 13
3 Fe ,Ca 2.88 6
2.1584 13
2.1584 13
2.1584 13
2.1584 13
1.9758 15
1.9758 15
4 Fe ,Ti ,Nb 2.592 6
1.9747 10
1.9598 12
2.0229 14
1.9747 10
1.9598 12
2.0229 14
5 Ti 2.568 6
2.0225 10
2.0225 10
1.9781 9
1.9781 9
1.9781 9
1.9781 9
6 Ti 2.568 6
1.9962 9
2.0202 12
1.9962 9
2.0202 12
1.9962 9
1.9962 9
7 Si 2.1 4
1.6339 14
1.6002 15
1.5926 16
1.6339 14
8 Si 2.1 4
1.6359 13
1.6296 16
1.6359 13
1.5654 11
9 O 3.264 9
2.7523 12
3.0764 13
2.9253 12
2.8364 9
2.8868 9
2.7578 9
2.7406 10
3.2542 15
2.9147 10
10 O 3.264 11
2.6767 12
2.7363 14
2.7363 14
2.7406 9
2.9147 9
2.8837 12
2.8837 12
2.9147 14
2.7406 9
2.9147 9
2.9147 14
11 O 3.264 7
2.8115 14
3.0834 16
3.0834 16
2.8115 14
2.6885 13
2.6588 16
2.6885 13
12 O 3.264 11
2.7523 9
2.6767 10
2.7307 14
2.9253 9
2.7523 9
2.7307 14
2.9253 9
2.8837 10
2.8837 10
2.8999 14
2.8999 14
13 O 3.264 8
3.0764 9
2.5632 16
2.6441 13
3.0791 13
3.0255 13
2.6194 15
2.6885 11
3.2037 15
14 O 3.264 9
2.7363 10
2.8115 11
2.7307 12
2.6487 15
2.6011 16
2.7014 14
3.0218 14
2.9147 10
2.8999 12
15 O 3.264 9
2.6487 14
2.6225 16
2.6487 14
3.2542 9
2.6194 13
3.2037 13
3.2542 9
2.6194 13
3.2037 13
16 O 3.264 8
3.0834 11
3.0834 11
2.5632 13
2.6011 14
2.6225 15
2.5632 13
2.6011 14
2.6588 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 0 0 1 4.72 9.439 0.046 292.43 2 62.2 325.7
2 2 0 0 7.804 15.609 0.076 105.52 2 50.0 75.8
3 2 0 -1 8.357 16.714 0.081 91.74 2 32.2 27.3
4 0 0 2 9.472 18.944 0.092 70.93 2 154.3 486.0
5 1 1 0 9.811 19.622 0.095 65.96 4 24.1 22.0
6 2 0 1 9.855 19.711 0.096 65.35 2 64.2 77.5
7 1 1 -1 10.588 21.176 0.103 56.33 4 146.7 697.6
8 2 0 -2 11.143 22.285 0.108 50.66 2 36.4 19.3
9 1 1 1 11.218 22.437 0.109 49.95 4 180.0 931.8
10 1 1 -2 13.185 26.37 0.128 35.59 4 64.3 84.8
11 2 0 2 13.398 26.796 0.13 34.4 2 48.8 23.6
12 1 1 2 14.203 28.406 0.137 30.39 4 23.2 9.4
13 0 0 3 14.291 28.581 0.138 30.0 2 190.4 312.9
14 3 1 0 14.877 29.753 0.144 27.53 4 136.8 296.6
15 3 1 -1 14.95 29.901 0.144 27.24 4 184.1 531.0
16 2 0 -3 15.014 30.028 0.145 26.99 2 9.4 0.7
17 4 0 -1 15.604 31.208 0.15 24.85 2 0.4 0.0
18 4 0 0 15.758 31.517 0.152 24.33 2 8.0 0.5
19 3 1 1 16.304 32.608 0.157 22.6 4 353.8 1627.8
20 3 1 -2 16.507 33.015 0.159 22.0 4 316.7 1270.0
21 1 1 -3 16.831 33.662 0.162 21.09 4 181.9 401.9
22 4 0 -2 16.898 33.797 0.162 20.91 2 309.8 577.6
23 4 0 1 17.327 34.654 0.166 19.8 2 334.5 637.7
24 2 0 3 17.62 35.24 0.169 19.09 2 121.9 81.6
25 1 1 3 18.059 36.118 0.173 18.09 4 185.4 357.8
26 0 2 0 18.214 36.429 0.175 17.75 2 447.2 1021.5
27 0 2 1 18.858 37.716 0.181 16.44 4 130.4 160.9
28 3 1 2 18.931 37.862 0.181 16.3 4 312.6 916.8
29 0 0 4 19.216 38.431 0.184 15.78 2 489.3 1086.6
30 3 1 -3 19.228 38.456 0.184 15.75 4 384.7 1341.7
31 4 0 -3 19.385 38.77 0.186 15.47 2 259.9 300.8
32 2 0 -4 19.408 38.815 0.186 15.43 2 18.3 1.5
33 2 2 0 19.925 39.851 0.191 14.56 4 142.2 169.4
34 4 0 2 20.018 40.037 0.191 14.41 2 225.4 210.5
35 2 2 -1 20.164 40.328 0.193 14.18 4 112.8 103.9
36 0 2 2 20.686 41.372 0.197 13.39 4 268.0 553.6
37 2 2 1 20.877 41.755 0.199 13.12 4 144.7 158.2
38 1 1 -4 21.065 42.129 0.201 12.86 4 49.4 18.0
39 2 2 -2 21.561 43.122 0.205 12.2 4 90.2 57.1
40 5 1 -1 21.659 43.319 0.206 12.08 4 75.7 39.8
41 5 1 0 21.946 43.891 0.209 11.73 4 111.1 83.4
42 2 0 4 22.228 44.456 0.211 11.39 2 58.8 11.3
43 3 1 3 22.402 44.803 0.213 11.2 4 164.2 173.6
44 1 1 4 22.426 44.851 0.213 11.17 4 67.9 29.7
45 5 1 -2 22.49 44.979 0.214 11.1 4 28.2 5.1
46 4 0 -4 22.737 45.475 0.216 10.83 2 189.4 111.8
47 3 1 -4 22.764 45.528 0.216 10.8 4 110.4 75.7
48 2 2 2 22.898 45.796 0.218 10.66 4 52.4 16.8
49 5 1 1 23.316 46.632 0.221 10.23 4 38.7 8.8
50 0 2 3 23.471 46.942 0.223 10.08 4 146.8 125.0
51 4 0 3 23.516 47.032 0.223 10.03 2 261.4 197.2
52 6 0 -1 23.614 47.229 0.224 9.94 2 230.7 152.2
53 2 2 -3 23.952 47.904 0.227 9.62 4 21.8 2.6
54 6 0 0 24.04 48.08 0.228 9.54 2 9.0 0.2
55 2 0 -5 24.14 48.281 0.229 9.45 2 65.4 11.6
56 6 0 -2 24.237 48.473 0.229 9.37 2 169.9 77.8
57 0 0 5 24.293 48.586 0.23 9.32 2 74.1 14.7
58 5 1 -3 24.347 48.693 0.23 9.27 4 37.4 7.4
59 4 2 -1 24.354 48.709 0.231 9.27 4 360.9 694.6
60 4 2 0 24.461 48.922 0.231 9.17 4 262.7 364.4
61 4 2 -2 25.267 50.535 0.239 8.52 4 192.7 182.1
62 6 0 1 25.474 50.947 0.24 8.36 2 241.7 140.6
63 4 2 1 25.578 51.156 0.241 8.29 4 181.7 157.4
64 5 1 2 25.636 51.271 0.242 8.25 4 68.8 22.5
65 1 1 -5 25.701 51.402 0.242 8.2 4 105.9 52.9
66 2 2 3 25.793 51.586 0.243 8.13 4 98.3 45.3
67 6 0 -3 25.85 51.699 0.244 8.09 2 204.4 97.2
68 3 1 4 26.476 52.951 0.249 7.66 4 242.6 259.4
69 4 0 -5 26.718 53.437 0.251 7.5 2 51.3 5.7
70 3 1 -5 26.887 53.775 0.253 7.4 4 278.4 329.9
71 0 2 4 26.994 53.988 0.254 7.33 4 436.1 802.3
72 5 1 -4 27.072 54.145 0.254 7.28 4 97.2 39.6
73 4 2 -3 27.125 54.25 0.255 7.25 4 123.4 63.6
74 2 2 -4 27.142 54.284 0.255 7.24 4 252.4 265.4
75 2 0 5 27.143 54.285 0.255 7.24 2 155.4 50.3
76 1 1 5 27.169 54.339 0.255 7.22 4 234.1 227.8
77 4 0 4 27.609 55.218 0.259 6.96 2 22.1 1.0
78 4 2 2 27.617 55.234 0.259 6.96 4 127.2 64.8
79 6 0 2 27.803 55.605 0.261 6.85 2 76.7 11.6
80 1 3 0 28.278 56.556 0.265 6.6 4 4.1 0.1
81 6 0 -4 28.333 56.666 0.265 6.57 2 23.1 1.0
82 1 3 -1 28.601 57.203 0.268 6.43 4 126.2 59.0
83 5 1 3 28.743 57.486 0.269 6.36 4 75.7 21.0
84 1 3 1 28.879 57.758 0.27 6.29 4 179.0 115.9
85 2 0 -6 29.176 58.351 0.273 6.15 2 132.9 31.2
86 2 2 4 29.388 58.776 0.274 6.05 4 256.3 228.6
87 7 1 -1 29.52 59.039 0.275 5.99 4 11.0 0.4
88 0 0 6 29.583 59.166 0.276 5.96 2 131.3 29.5
89 4 2 -4 29.807 59.614 0.278 5.86 4 152.1 77.9
90 1 3 -2 29.83 59.66 0.278 5.85 4 59.7 12.0
91 7 1 -2 29.919 59.839 0.279 5.81 4 290.4 281.9
92 7 1 0 30.02 60.041 0.28 5.76 4 286.2 271.8
93 1 3 2 30.37 60.739 0.283 5.62 4 32.1 3.3
94 4 2 3 30.455 60.91 0.283 5.58 4 181.5 105.9
95 5 1 -5 30.516 61.033 0.284 5.56 4 57.0 10.4
96 6 2 -1 30.537 61.075 0.284 5.55 4 160.3 82.0
97 1 1 -6 30.69 61.38 0.285 5.49 4 81.7 21.1
98 3 3 0 30.743 61.487 0.286 5.47 4 108.4 37.0
99 3 3 -1 30.785 61.57 0.286 5.45 4 157.8 78.1
100 6 2 0 30.896 61.791 0.287 5.41 4 182.0 103.1
101 6 0 3 30.896 61.792 0.287 5.41 2 275.2 117.9
102 2 2 -5 30.98 61.961 0.288 5.37 4 128.3 50.9
103 3 1 5 31.036 62.071 0.288 5.35 4 156.2 75.2
104 6 2 -2 31.062 62.124 0.288 5.34 4 286.6 252.6
105 0 2 5 31.11 62.219 0.289 5.33 4 151.9 70.7
106 7 1 -3 31.199 62.397 0.29 5.29 4 68.6 14.3
107 4 0 -6 31.206 62.412 0.29 5.29 2 362.8 200.3
108 7 1 1 31.395 62.791 0.291 5.22 4 49.4 7.3
109 3 1 -6 31.491 62.981 0.292 5.18 4 143.6 61.6
110 6 0 -5 31.558 63.116 0.293 5.16 2 330.6 162.3
111 3 3 1 31.578 63.156 0.293 5.15 4 283.2 237.8
112 3 3 -2 31.701 63.402 0.294 5.11 4 229.7 155.1
113 1 3 -3 31.9 63.799 0.295 5.04 4 150.4 65.6
114 6 2 1 32.119 64.238 0.297 4.97 4 283.8 230.1
115 4 0 5 32.195 64.389 0.298 4.94 2 310.1 136.7
116 1 1 6 32.267 64.535 0.298 4.92 4 122.8 42.7
117 8 0 -1 32.295 64.59 0.299 4.91 2 374.5 198.0
118 2 0 6 32.373 64.746 0.299 4.88 2 22.2 0.7
119 6 2 -3 32.444 64.888 0.3 4.86 4 234.4 153.6
120 5 1 4 32.511 65.021 0.3 4.84 4 226.1 142.3
121 8 0 -2 32.546 65.092 0.301 4.83 2 249.2 86.2
122 1 3 3 32.677 65.355 0.302 4.78 4 154.9 66.1
123 8 0 0 32.899 65.799 0.304 4.72 2 92.7 11.7
124 4 2 -5 33.201 66.403 0.306 4.62 4 150.5 60.3
125 3 3 2 33.252 66.504 0.307 4.61 4 278.3 205.4
126 7 1 -4 33.3 66.599 0.307 4.6 4 258.6 176.9
127 3 3 -3 33.452 66.904 0.308 4.55 4 307.5 247.7
128 2 2 5 33.574 67.148 0.309 4.52 4 55.3 8.0
129 7 1 2 33.584 67.169 0.309 4.51 4 224.5 130.9
130 8 0 -3 33.642 67.285 0.31 4.5 2 154.3 30.8
131 4 2 4 33.986 67.972 0.312 4.4 4 141.5 50.7
132 6 2 2 34.158 68.316 0.314 4.36 4 174.0 75.9
133 8 0 1 34.336 68.672 0.315 4.31 2 120.9 18.1
134 2 0 -7 34.546 69.092 0.317 4.26 2 23.5 0.7
135 5 1 -6 34.579 69.157 0.317 4.25 4 79.8 15.6
136 6 2 -4 34.63 69.261 0.318 4.24 4 116.7 33.2
137 6 0 4 34.653 69.306 0.318 4.23 2 39.1 1.9
138 1 3 -4 34.731 69.462 0.318 4.21 4 15.0 0.5
139 5 3 -1 35.161 70.322 0.322 4.11 4 42.9 4.3
140 0 0 7 35.167 70.334 0.322 4.11 2 277.6 91.0
141 5 3 0 35.37 70.74 0.324 4.06 4 84.7 16.7
142 2 2 -6 35.387 70.773 0.324 4.05 4 90.3 19.0
143 6 0 -6 35.434 70.867 0.324 4.04 2 154.0 27.6
144 8 0 -4 35.546 71.091 0.325 4.02 2 128.3 19.0
145 3 3 3 35.707 71.414 0.326 3.98 4 117.4 31.6
146 1 3 4 35.725 71.45 0.326 3.98 4 55.5 7.1
147 0 2 6 35.755 71.509 0.327 3.97 4 240.0 131.7
148 5 3 -2 35.773 71.545 0.327 3.97 4 32.1 2.4
149 3 3 -4 35.978 71.955 0.328 3.92 4 95.7 20.7
150 3 1 6 36.056 72.111 0.329 3.91 4 224.5 113.4
151 1 1 -7 36.059 72.118 0.329 3.91 4 181.4 74.0
152 7 1 -5 36.154 72.308 0.33 3.89 4 85.6 16.4
153 4 0 -7 36.168 72.336 0.33 3.88 2 104.0 12.1
154 5 3 1 36.395 72.79 0.332 3.84 4 16.0 0.6
155 7 1 3 36.52 73.04 0.333 3.81 4 6.7 0.1
156 3 1 -7 36.556 73.111 0.333 3.81 4 336.5 248.0
157 8 0 2 36.559 73.118 0.333 3.8 2 196.1 42.1
158 5 1 5 36.87 73.74 0.335 3.74 4 73.7 11.7
159 6 2 3 36.951 73.903 0.336 3.73 4 68.0 9.9
160 5 3 -3 37.189 74.378 0.338 3.68 4 8.7 0.2
161 4 2 -6 37.236 74.472 0.338 3.68 4 159.8 54.0
162 4 0 6 37.258 74.516 0.338 3.67 2 214.9 48.8
163 6 2 -5 37.561 75.121 0.341 3.62 4 72.8 11.0
164 1 1 7 37.766 75.531 0.342 3.58 4 123.3 31.4
165 2 0 7 37.985 75.969 0.344 3.55 2 6.7 0.0
166 4 2 5 38.15 76.299 0.345 3.52 4 157.4 50.2
167 8 0 -5 38.207 76.415 0.346 3.51 2 216.1 47.2
168 5 3 2 38.209 76.419 0.346 3.51 4 54.9 6.1
169 8 2 -1 38.243 76.486 0.346 3.5 4 87.5 15.5
170 1 3 -5 38.262 76.523 0.346 3.5 4 96.0 18.6
171 2 2 6 38.315 76.63 0.347 3.49 4 193.1 75.0
172 9 1 -1 38.422 76.844 0.347 3.48 4 18.9 0.7
173 8 2 -2 38.476 76.952 0.348 3.47 4 39.2 3.1
174 9 1 -2 38.535 77.07 0.348 3.46 4 37.5 2.8
175 0 4 0 38.693 77.386 0.349 3.43 2 625.2 386.4
176 8 2 0 38.806 77.612 0.35 3.42 4 31.5 1.9
177 3 3 4 38.889 77.779 0.351 3.41 4 211.5 87.7
178 6 0 5 39.027 78.054 0.352 3.39 2 142.0 19.6
179 0 4 1 39.09 78.18 0.352 3.38 4 33.5 2.2
180 9 1 0 39.104 78.208 0.353 3.37 4 94.5 17.3
181 5 1 -7 39.225 78.451 0.353 3.36 4 40.4 3.2
182 3 3 -5 39.227 78.454 0.354 3.36 4 252.3 123.0
183 5 3 -4 39.38 78.759 0.355 3.34 4 69.4 9.3
184 9 1 -3 39.441 78.882 0.355 3.33 4 116.8 26.1
185 1 3 5 39.46 78.92 0.355 3.33 4 182.0 63.4
186 8 2 -3 39.502 79.003 0.356 3.32 4 202.2 78.1
187 8 0 3 39.523 79.047 0.356 3.32 2 216.9 44.9
188 7 1 -6 39.711 79.422 0.357 3.29 4 197.8 74.1
189 2 4 0 39.771 79.543 0.358 3.28 4 36.3 2.5
190 6 0 -7 39.924 79.848 0.359 3.26 2 137.4 17.7
191 2 4 -1 39.928 79.855 0.359 3.26 4 16.5 0.5
192 7 1 4 40.155 80.31 0.36 3.24 4 255.3 121.4
193 8 2 1 40.155 80.311 0.36 3.24 4 230.4 98.9
194 0 4 2 40.274 80.548 0.361 3.22 4 129.3 31.0
195 2 0 -8 40.341 80.681 0.362 3.21 2 117.2 12.7
196 2 2 -7 40.354 80.709 0.362 3.21 4 68.2 8.6
197 2 4 1 40.403 80.805 0.362 3.21 4 42.8 3.4
198 6 2 4 40.455 80.911 0.363 3.2 4 172.8 55.0
199 9 1 1 40.569 81.139 0.364 3.19 4 87.0 13.9
200 5 3 3 40.782 81.565 0.365 3.16 4 68.9 8.7
201 2 4 -2 40.869 81.739 0.366 3.15 4 33.2 2.0
202 0 2 7 40.944 81.887 0.366 3.14 4 86.4 13.5
203 9 1 -4 41.126 82.251 0.368 3.12 4 190.1 65.0
204 0 0 8 41.166 82.332 0.368 3.12 2 388.2 135.3
205 6 2 -6 41.197 82.394 0.368 3.12 4 293.7 154.7
206 8 2 -4 41.304 82.608 0.369 3.11 4 31.8 1.8
207 7 3 -1 41.449 82.898 0.37 3.09 4 0.0 0.0
208 3 1 7 41.586 83.172 0.371 3.08 4 87.8 13.7
209 8 0 -6 41.593 83.186 0.371 3.08 2 115.0 11.7
210 4 0 -8 41.65 83.3 0.371 3.07 2 35.8 1.1
211 7 3 -2 41.795 83.591 0.373 3.06 4 266.9 125.3
212 2 4 2 41.814 83.627 0.373 3.06 4 17.5 0.5
213 5 1 6 41.825 83.649 0.373 3.05 4 32.7 1.9
214 7 3 0 41.883 83.767 0.373 3.05 4 245.5 105.8
215 1 1 -8 41.899 83.797 0.373 3.05 4 104.5 19.2
216 4 2 -7 41.899 83.798 0.373 3.05 4 6.7 0.1
217 10 0 -2 41.969 83.938 0.374 3.04 2 74.9 4.9
218 10 0 -1 41.976 83.952 0.374 3.04 2 153.1 20.5
219 3 1 -8 42.14 84.28 0.375 3.03 4 15.4 0.4
220 0 4 3 42.231 84.461 0.376 3.02 4 124.2 26.8
221 8 2 2 42.274 84.549 0.376 3.01 4 212.9 78.6
222 5 3 -5 42.317 84.635 0.376 3.01 4 62.0 6.7
223 1 3 -6 42.47 84.94 0.377 3.0 4 62.5 6.7
224 2 4 -3 42.586 85.172 0.378 2.99 4 16.6 0.5
225 10 0 -3 42.741 85.482 0.379 2.97 2 208.1 37.1
226 10 0 0 42.762 85.524 0.38 2.97 2 150.1 19.3
227 3 3 5 42.776 85.552 0.38 2.97 4 139.7 33.4
228 9 1 2 42.802 85.604 0.38 2.97 4 38.5 2.5
229 4 0 7 42.861 85.722 0.38 2.96 2 136.6 15.9
230 4 4 -1 42.887 85.775 0.38 2.96 4 30.2 1.6
231 7 3 -3 42.92 85.841 0.381 2.96 4 52.0 4.6
232 4 2 6 42.948 85.896 0.381 2.96 4 49.1 4.1
233 4 4 0 42.968 85.936 0.381 2.96 4 17.5 0.5
234 7 3 1 43.095 86.191 0.382 2.95 4 19.7 0.7
235 3 3 -6 43.18 86.361 0.383 2.94 4 123.0 25.6
236 8 0 4 43.207 86.415 0.383 2.94 2 63.6 3.4
237 9 1 -5 43.574 87.149 0.385 2.91 4 27.0 1.2
238 4 4 -2 43.584 87.168 0.385 2.91 4 231.2 89.6
239 2 2 7 43.652 87.304 0.386 2.91 4 25.8 1.1
240 1 1 8 43.777 87.555 0.387 2.9 4 120.4 24.2
241 4 4 1 43.826 87.651 0.387 2.9 4 249.6 103.8
242 8 2 -5 43.868 87.737 0.387 2.89 4 196.0 63.9
243 1 3 6 43.878 87.756 0.387 2.89 4 87.0 12.6
244 7 1 -7 43.964 87.928 0.388 2.89 4 60.5 6.1
245 2 4 3 43.994 87.987 0.388 2.88 4 74.6 9.2
246 6 0 6 44.039 88.078 0.389 2.88 2 31.9 0.8
247 5 3 4 44.098 88.196 0.389 2.88 4 211.4 74.0
248 2 0 8 44.107 88.214 0.389 2.88 2 63.7 3.4
249 10 0 -4 44.288 88.576 0.39 2.87 2 84.0 5.8
250 10 0 1 44.323 88.646 0.391 2.86 2 218.8 39.5
251 7 1 5 44.488 88.977 0.392 2.86 4 61.9 6.3
252 5 1 -8 44.497 88.995 0.392 2.85 4 3.6 0.0
253 6 2 5 44.668 89.336 0.393 2.85 4 330.5 178.9
254 7 3 -4 44.818 89.636 0.394 2.84 4 241.8 95.4
255 0 4 4 44.95 89.9 0.395 2.83 4 372.8 226.5
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 0 0 1 4.72 9.439 10.87084 325.7 13.4 13.7 5.6
2 2 0 0 7.804 15.609 6.58702 75.8 3.1 3.2 5.6
3 2 0 -1 8.357 16.714 6.15437 27.3 1.1 1.1 5.6
4 0 0 2 9.472 18.944 5.43542 486.0 20.0 20.3 5.6
5 2 0 1 9.855 19.711 5.22586 77.5 3.2 3.2 5.6
6 1 1 -1 10.588 21.176 4.86794 697.6 28.7 29.1 5.6
7 1 1 1 11.218 22.437 4.59765 931.8 38.4 38.9 5.6
8 1 1 -2 13.185 26.37 3.92136 84.8 3.5 3.5 5.6
9 0 0 3 14.291 28.581 3.62361 312.9 12.9 13.0 5.6
10 3 1 0 14.877 29.753 3.48395 296.6 12.2 12.3 5.6
11 3 1 -1 14.95 29.901 3.46715 531.0 21.9 22.0 5.6
12 3 1 1 16.304 32.608 3.18611 1627.8 67.0 67.4 5.6
13 3 1 -2 16.507 33.015 3.14796 1270.0 52.3 52.6 5.6
14 1 1 -3 16.831 33.662 3.08918 401.9 16.5 16.6 5.7
15 4 0 -2 16.898 33.797 3.07718 577.6 23.8 23.9 5.7
16 4 0 1 17.327 34.654 3.0033 637.7 26.3 26.4 5.7
17 2 0 3 17.62 35.24 2.9549 81.6 3.4 3.4 5.7
18 1 1 3 18.059 36.118 2.88542 357.8 14.7 14.8 5.7
19 0 2 0 18.214 36.429 2.8616 1021.5 42.1 42.1 5.7
20 0 2 1 18.858 37.716 2.76733 160.9 6.6 6.6 5.7
21 3 1 2 18.931 37.862 2.75704 916.8 37.8 37.8 5.7
22 3 1 -3 19.228 38.456 2.71603 2428.3 100.0 100.0 5.7
23 4 0 -3 19.385 38.77 2.69482 302.3 12.4 12.4 5.7
24 2 2 0 19.925 39.851 2.62463 169.4 7.0 7.0 5.7
25 4 0 2 20.018 40.037 2.61293 210.5 8.7 8.7 5.7
26 2 2 -1 20.164 40.328 2.59482 103.9 4.3 4.3 5.7
27 0 2 2 20.686 41.372 2.53212 553.6 22.8 22.7 5.7
28 2 2 1 20.877 41.755 2.50994 158.2 6.5 6.5 5.7
29 2 2 -2 21.561 43.122 2.43397 57.1 2.4 2.3 5.7
30 5 1 -1 21.659 43.319 2.42344 39.8 1.6 1.6 5.7
31 5 1 0 21.946 43.891 2.39336 83.4 3.4 3.4 5.7
32 3 1 3 22.402 44.803 2.34708 203.3 8.4 8.3 5.7
33 4 0 -4 22.737 45.475 2.31422 187.5 7.7 7.7 5.7
34 0 2 3 23.471 46.942 2.24576 125.0 5.1 5.1 5.7
35 4 0 3 23.516 47.032 2.24171 197.2 8.1 8.0 5.7
36 6 0 -1 23.614 47.229 2.23291 152.2 6.3 6.2 5.7
37 6 0 -2 24.237 48.473 2.17892 77.8 3.2 3.2 5.7
38 4 2 -1 24.354 48.709 2.16902 702.1 28.9 28.6 5.7
39 4 2 0 24.461 48.922 2.16013 364.4 15.0 14.8 5.7
40 4 2 -2 25.267 50.535 2.09553 182.1 7.5 7.4 5.8
41 6 0 1 25.474 50.947 2.07967 140.6 5.8 5.7 5.8
42 4 2 1 25.578 51.156 2.07174 157.4 6.5 6.4 5.8
43 1 1 -5 25.701 51.402 2.06252 52.9 2.2 2.1 5.8
44 2 2 3 25.793 51.586 2.05565 45.3 1.9 1.8 5.8
45 6 0 -3 25.85 51.699 2.05146 97.2 4.0 3.9 5.8
46 3 1 4 26.476 52.951 2.00633 259.4 10.7 10.5 5.8
47 3 1 -5 26.887 53.775 1.97786 329.9 13.6 13.4 5.8
48 0 2 4 26.994 53.988 1.97062 802.3 33.0 32.5 5.8
49 5 1 -4 27.072 54.145 1.96535 39.6 1.6 1.6 5.8
50 2 2 -4 27.142 54.284 1.96068 607.0 25.0 24.6 5.8
51 4 2 2 27.617 55.234 1.92956 64.8 2.7 2.6 5.8
52 1 3 -1 28.601 57.203 1.86847 59.0 2.4 2.4 5.8
53 1 3 1 28.879 57.758 1.85203 115.9 4.8 4.7 5.8
54 2 0 -6 29.176 58.351 1.83483 31.2 1.3 1.3 5.8
55 2 2 4 29.388 58.776 1.82274 228.6 9.4 9.2 5.8
56 0 0 6 29.583 59.166 1.81181 29.5 1.2 1.2 5.8
57 4 2 -4 29.807 59.614 1.79942 89.9 3.7 3.6 5.8
58 7 1 -2 29.919 59.839 1.79329 281.9 11.6 11.3 5.8
59 7 1 0 30.02 60.041 1.78782 271.8 11.2 10.9 5.8
60 4 2 3 30.455 60.91 1.7647 105.9 4.4 4.2 5.8
61 6 2 -1 30.537 61.075 1.7604 92.4 3.8 3.7 5.8
62 3 3 0 30.743 61.487 1.74975 37.0 1.5 1.5 5.8
63 3 3 -1 30.785 61.57 1.74761 78.1 3.2 3.1 5.8
64 6 0 3 30.896 61.792 1.74195 221.0 9.1 8.8 5.8
65 2 2 -5 30.98 61.961 1.73768 50.9 2.1 2.0 5.8
66 6 2 -2 31.062 62.124 1.73357 327.8 13.5 13.1 5.8
67 0 2 5 31.11 62.219 1.73118 70.7 2.9 2.8 5.8
68 4 0 -6 31.206 62.412 1.72637 214.7 8.8 8.6 5.8
69 3 1 -6 31.491 62.981 1.71234 61.6 2.5 2.5 5.9
70 3 3 1 31.578 63.156 1.7081 400.2 16.5 16.0 5.9
71 3 3 -2 31.701 63.402 1.70215 155.1 6.4 6.2 5.9
72 1 3 -3 31.9 63.799 1.69267 65.6 2.7 2.6 5.9
73 6 2 1 32.119 64.238 1.68232 230.1 9.5 9.2 5.9
74 4 0 5 32.195 64.389 1.6788 136.7 5.6 5.4 5.9
75 8 0 -1 32.295 64.59 1.67415 240.7 9.9 9.6 5.9
76 6 2 -3 32.444 64.888 1.66728 153.6 6.3 6.1 5.9
77 5 1 4 32.511 65.021 1.66425 142.3 5.9 5.7 5.9
78 8 0 -2 32.546 65.092 1.66264 86.2 3.6 3.4 5.9
79 1 3 3 32.677 65.355 1.65669 66.1 2.7 2.6 5.9
80 4 2 -5 33.201 66.403 1.63347 60.3 2.5 2.4 5.9
81 3 3 2 33.252 66.504 1.63127 205.4 8.5 8.2 5.9
82 7 1 -4 33.3 66.599 1.62921 176.9 7.3 7.0 5.9
83 3 3 -3 33.452 66.904 1.62265 247.7 10.2 9.8 5.9
84 7 1 2 33.584 67.169 1.61698 138.9 5.7 5.5 5.9
85 8 0 -3 33.642 67.285 1.61453 30.8 1.3 1.2 5.9
86 4 2 4 33.986 67.972 1.60013 50.7 2.1 2.0 5.9
87 6 2 2 34.158 68.316 1.59305 75.9 3.1 3.0 5.9
88 6 2 -4 34.63 69.261 1.57398 35.0 1.4 1.4 5.9
89 0 0 7 35.167 70.334 1.55298 95.4 3.9 3.8 5.9
90 2 2 -6 35.387 70.773 1.54459 35.8 1.5 1.4 5.9
91 6 0 -6 35.434 70.867 1.54281 27.6 1.1 1.1 5.9
92 3 3 3 35.707 71.414 1.53255 38.6 1.6 1.5 5.9
93 0 2 6 35.755 71.509 1.53078 134.1 5.5 5.3 5.9
94 3 1 6 36.056 72.111 1.51972 187.4 7.7 7.4 5.9
95 7 1 -5 36.154 72.308 1.51615 28.5 1.2 1.1 5.9
96 3 1 -7 36.556 73.111 1.50177 290.1 11.9 11.4 6.0
97 4 2 -6 37.236 74.472 1.4782 102.8 4.2 4.0 6.0
98 1 1 7 37.766 75.531 1.4605 31.4 1.3 1.2 6.0
99 4 2 5 38.15 76.299 1.44801 50.2 2.1 2.0 6.0
100 8 0 -5 38.207 76.415 1.44616 53.3 2.2 2.1 6.0
101 1 3 -5 38.262 76.523 1.44441 34.0 1.4 1.3 6.0
102 2 2 6 38.315 76.63 1.44271 75.0 3.1 2.9 6.0
103 0 4 0 38.693 77.386 1.4308 386.4 15.9 15.0 6.0
104 3 3 4 38.889 77.779 1.42471 87.7 3.6 3.4 6.0
105 3 3 -5 39.227 78.454 1.4144 126.1 5.2 4.9 6.0
106 1 3 5 39.46 78.92 1.40741 89.5 3.7 3.5 6.0
107 8 2 -3 39.502 79.003 1.40616 123.0 5.1 4.8 6.0
108 7 1 -6 39.711 79.422 1.39996 74.1 3.1 2.9 6.0
109 7 1 4 40.155 80.31 1.38707 220.2 9.1 8.5 6.0
110 0 4 2 40.274 80.548 1.38366 31.0 1.3 1.2 6.1
111 6 2 4 40.455 80.911 1.37852 55.0 2.3 2.1 6.1
112 9 1 -4 41.126 82.251 1.35995 65.0 2.7 2.5 6.1
113 0 0 8 41.166 82.332 1.35886 135.3 5.6 5.2 6.1
114 6 2 -6 41.197 82.394 1.35801 154.7 6.4 6.0 6.1
115 3 1 7 41.586 83.172 1.3476 25.4 1.0 1.0 6.1
116 7 3 -2 41.795 83.591 1.34208 127.7 5.3 4.9 6.1
117 7 3 0 41.883 83.767 1.33978 125.0 5.1 4.8 6.1
118 10 0 -1 41.976 83.952 1.33737 25.4 1.0 1.0 6.1
119 0 4 3 42.231 84.461 1.33081 26.8 1.1 1.0 6.1
120 8 2 2 42.274 84.549 1.32969 78.6 3.2 3.0 6.1
121 10 0 -3 42.741 85.482 1.31793 56.3 2.3 2.2 6.1
122 3 3 5 42.776 85.552 1.31707 35.9 1.5 1.4 6.1
123 3 3 -6 43.18 86.361 1.30712 29.0 1.2 1.1 6.1
124 4 4 -2 43.584 87.168 1.29741 90.8 3.7 3.5 6.2
125 4 4 1 43.826 87.651 1.2917 103.8 4.3 3.9 6.2
126 8 2 -5 43.868 87.737 1.2907 76.5 3.2 2.9 6.2
127 5 3 4 44.098 88.196 1.28535 77.4 3.2 2.9 6.2
128 10 0 1 44.323 88.646 1.28017 39.5 1.6 1.5 6.2
129 6 2 5 44.668 89.336 1.27235 178.9 7.4 6.8 6.2
130 7 3 -4 44.818 89.636 1.269 95.4 3.9 3.6 6.2
131 0 4 4 44.95 89.9 1.26606 226.5 9.3 8.5 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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