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
3, f-perrierite
(Ce,Ca)(4)Fe''(Ti,Fe''',Nb)(4)Si(4)O(22)
Monoclinic C 2/m Z = 2
R =0.057 NR =1180
26 .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 = 13.368 alpha = 90.0
b = 5.7243 beta = 100.52
c = 11.041 gamma = 90.0
Unit cell volume (cub. angs.) = 830.69
Molar volume ( cub.cm/mol.) = 250.18
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3569 0.0 0.7362 0.0 Ce = 0.47, La = 0.46, Ca = 0.07
2 0.0705 0.0 0.7426 0.0 Ce = 0.47, La = 0.46, Ca = 0.07
3 0.5 0.0 0.5 0.0 Fe = 0.93, Mn = 0.06, Zr = 0.01
4 0.25 0.25 0.0 0.0 Fe = 0.64, Ti = 0.28, 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 0.2014 0.5 0.731 0.0 Si = 1.00
8 0.3588 0.5 0.5447 0.0 Si = 1.00
9 0.478 0.2517 0.8734 0.0 O = 1.00
10 0.1461 0.0 0.978 0.0 O = 1.00
11 0.1872 0.0 0.5969 0.0 O = 1.00
12 0.3479 0.0 0.9886 0.0 O = 1.00
13 0.4264 0.2708 0.5915 0.0 O = 1.00
14 0.2273 0.2649 0.8137 0.0 O = 1.00
15 0.0833 0.5 0.6683 0.0 O = 1.00
16 0.2719 0.5 0.6291 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3569 0.0 0.7362
2 2 0.0705 0.0 0.7426
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 0.2014 0.5 0.731
8 8 0.3588 0.5 0.5447
9 9 0.478 0.2517 0.8734
10 10 0.1461 0.0 0.978
11 11 0.1872 0.0 0.5969
12 12 0.3479 0.0 0.9886
13 13 0.4264 0.2708 0.5915
14 14 0.2273 0.2649 0.8137
15 15 0.0833 0.5 0.6683
16 16 0.2719 0.5 0.6291
17 1 0.6431 0.0 0.2638
18 2 0.9295 0.0 0.2574
19 4 0.75 0.75 0.0
20 7 0.7986 0.5 0.269
21 8 0.6412 0.5 0.4553
22 9 0.522 0.7483 0.1266
23 10 0.8539 0.0 0.022
24 11 0.8128 0.0 0.4031
25 12 0.6521 0.0 0.0114
26 13 0.5736 0.7292 0.4085
27 14 0.7727 0.7351 0.1863
28 15 0.9167 0.5 0.3317
29 16 0.7281 0.5 0.3709
30 4 0.25 0.75 0.0
31 9 0.478 0.7483 0.8734
32 13 0.4264 0.7292 0.5915
33 14 0.2273 0.7351 0.8137
34 4 0.75 0.25 0.0
35 9 0.522 0.2517 0.1266
36 13 0.5736 0.2708 0.4085
37 14 0.7727 0.2649 0.1863
38 1 0.8569 0.5 0.7362
39 2 0.5705 0.5 0.7426
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 0.7014 0.0 0.731
44 8 0.8588 0.0 0.5447
45 9 0.978 0.2483 0.8734
46 10 0.6461 0.5 0.978
47 11 0.6872 0.5 0.5969
48 12 0.8479 0.5 0.9886
49 13 0.9264 0.2292 0.5915
50 14 0.7273 0.2351 0.8137
51 15 0.5833 0.0 0.6683
52 16 0.7719 0.0 0.6291
53 1 0.1431 0.5 0.2638
54 2 0.4295 0.5 0.2574
55 7 0.2986 0.0 0.269
56 8 0.1412 0.0 0.4553
57 9 0.022 0.7517 0.1266
58 10 0.3539 0.5 0.022
59 11 0.3128 0.5 0.4031
60 12 0.1521 0.5 0.0114
61 13 0.0736 0.7708 0.4085
62 14 0.2727 0.7649 0.1863
63 15 0.4167 0.0 0.3317
64 16 0.2281 0.0 0.3709
65 9 0.978 0.7517 0.8734
66 13 0.9264 0.7708 0.5915
67 14 0.7273 0.7649 0.8137
68 9 0.022 0.2483 0.1266
69 13 0.0736 0.2292 0.4085
70 14 0.2727 0.2351 0.1863
X-ray density (g/cm cub.) = 5.03
MU (1/cm) = 1311.098 Mass attenuation coefficient (cm**2/g) = 260.423
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
2.4685 9
2.4983 11
2.8108 12
2.5221 13
2.5642 14
2.4685 9
2.5221 13
2.5642 14
2 Ce ,La ,Ca 2.88 8
2.6105 10
2.437 11
2.5898 14
2.5898 14
2.5071 9
2.6542 13
2.5071 9
2.6542 13
3 Fe ,Mn ,Zr 2.724 6
2.1805 13
2.1805 13
2.1805 13
2.1805 13
1.9843 15
1.9843 15
4 Fe ,Ti ,Nb 2.592 6
1.9781 10
1.9588 12
2.0255 14
1.9781 10
1.9588 12
2.0255 14
5 Ti 2.568 6
2.0116 10
2.0116 10
1.9775 9
1.9775 9
1.9775 9
1.9775 9
6 Ti 2.568 6
1.9915 9
2.0141 12
1.9915 9
2.0141 12
1.9915 9
1.9915 9
7 Si 2.1 4
1.6277 14
1.604 15
1.5941 16
1.6277 14
8 Si 2.1 4
1.6231 13
1.6165 16
1.6231 13
1.5721 11
9 O 3.264 9
2.7433 12
3.0646 13
2.9189 12
2.8427 9
2.8816 9
2.7497 9
2.7306 10
3.217 15
2.9082 10
10 O 3.264 11
2.6788 12
2.7363 14
2.7363 14
2.7306 9
2.9082 9
2.8851 12
2.8851 12
2.923 14
2.7306 9
2.9082 9
2.923 14
11 O 3.264 7
2.8014 14
3.0746 16
3.0746 16
2.8014 14
2.6835 13
2.6501 16
2.6835 13
12 O 3.264 11
2.7433 9
2.6788 10
2.737 14
2.9189 9
2.7433 9
2.737 14
2.9189 9
2.8851 10
2.8851 10
2.8961 14
2.8961 14
13 O 3.264 8
3.0646 9
2.5441 16
2.624 13
3.1003 13
3.0669 13
2.6215 15
2.6835 11
3.2422 15
14 O 3.264 9
2.7363 10
2.8014 11
2.737 12
2.6393 15
2.6008 16
2.6916 14
3.0327 14
2.923 10
2.8961 12
15 O 3.264 9
2.6393 14
2.6348 16
2.6393 14
3.217 9
2.6215 13
3.2422 13
3.217 9
2.6215 13
3.2422 13
16 O 3.264 8
3.0746 11
3.0746 11
2.5441 13
2.6008 14
2.6348 15
2.5441 13
2.6008 14
2.6501 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 4.726 9.453 0.046 291.6 2 64.5 351.3
2 2 0 0 7.823 15.645 0.076 105.01 2 47.6 69.0
3 2 0 -1 8.376 16.753 0.081 91.31 2 36.4 35.1
4 0 0 2 9.485 18.97 0.092 70.72 2 151.8 472.6
5 1 1 0 9.813 19.626 0.095 65.93 4 22.5 19.3
6 2 0 1 9.874 19.749 0.096 65.09 2 69.1 90.2
7 1 1 -1 10.592 21.185 0.103 56.28 4 147.1 705.7
8 2 0 -2 11.165 22.33 0.108 50.45 2 45.6 30.4
9 1 1 1 11.223 22.447 0.109 49.9 4 181.8 955.5
10 1 1 -2 13.196 26.391 0.128 35.53 4 62.7 81.0
11 2 0 2 13.421 26.841 0.13 34.28 2 43.4 18.7
12 1 1 2 14.215 28.429 0.137 30.34 4 25.7 11.6
13 0 0 3 14.311 28.623 0.138 29.9 2 200.8 349.3
14 3 1 0 14.898 29.795 0.144 27.45 4 136.7 297.5
15 3 1 -1 14.972 29.945 0.144 27.15 4 186.3 546.4
16 2 0 -3 15.041 30.082 0.145 26.89 2 10.7 0.9
17 4 0 -1 15.642 31.285 0.151 24.72 2 4.1 0.1
18 4 0 0 15.796 31.592 0.152 24.2 2 10.5 0.8
19 3 1 1 16.327 32.654 0.157 22.53 4 356.7 1662.2
20 3 1 -2 16.532 33.065 0.159 21.93 4 316.1 1270.2
21 1 1 -3 16.849 33.697 0.162 21.05 4 184.8 416.7
22 4 0 -2 16.939 33.877 0.163 20.8 2 319.8 616.5
23 4 0 1 17.365 34.73 0.167 19.71 2 337.9 652.0
24 2 0 3 17.648 35.296 0.169 19.02 2 126.0 87.6
25 1 1 3 18.078 36.155 0.173 18.05 4 184.5 356.1
26 0 2 0 18.211 36.422 0.175 17.76 2 447.0 1028.4
27 0 2 1 18.856 37.712 0.181 16.45 4 137.7 180.7
28 3 1 2 18.957 37.914 0.182 16.25 4 317.1 947.6
29 0 0 4 19.244 38.487 0.184 15.72 2 495.1 1117.3
30 3 1 -3 19.258 38.515 0.184 15.7 4 389.0 1377.1
31 4 0 -3 19.428 38.857 0.186 15.4 2 259.1 299.5
32 2 0 -4 19.441 38.882 0.186 15.37 2 19.5 1.7
33 2 2 0 19.93 39.859 0.191 14.55 4 150.2 190.3
34 4 0 2 20.058 40.116 0.192 14.34 2 230.3 220.4
35 2 2 -1 20.169 40.339 0.193 14.17 4 115.1 108.9
36 0 2 2 20.689 41.379 0.197 13.39 4 273.0 578.4
37 2 2 1 20.884 41.767 0.199 13.11 4 147.3 164.8
38 1 1 -4 21.091 42.181 0.201 12.82 4 57.5 24.6
39 2 2 -2 21.57 43.14 0.206 12.19 4 92.7 60.8
40 5 1 -1 21.703 43.407 0.207 12.02 4 77.0 41.3
41 5 1 0 21.989 43.978 0.209 11.68 4 111.4 83.9
42 2 0 4 22.262 44.525 0.212 11.36 2 57.8 11.0
43 3 1 3 22.433 44.866 0.213 11.16 4 160.8 167.3
44 1 1 4 22.453 44.905 0.213 11.14 4 71.2 32.7
45 5 1 -2 22.536 45.071 0.214 11.05 4 23.9 3.7
46 4 0 -4 22.785 45.57 0.216 10.78 2 187.0 109.2
47 3 1 -4 22.8 45.599 0.217 10.76 4 106.8 71.2
48 2 2 2 22.909 45.819 0.218 10.64 4 55.5 19.0
49 5 1 1 23.36 46.721 0.222 10.18 4 37.5 8.3
50 0 2 3 23.482 46.963 0.223 10.07 4 145.7 123.9
51 4 0 3 23.56 47.12 0.223 9.99 2 260.0 195.8
52 6 0 -1 23.675 47.349 0.224 9.88 2 242.3 168.1
53 2 2 -3 23.967 47.935 0.227 9.61 4 26.8 4.0
54 6 0 0 24.099 48.199 0.228 9.49 2 14.2 0.6
55 2 0 -5 24.181 48.362 0.229 9.42 2 76.4 15.9
56 6 0 -2 24.298 48.597 0.23 9.31 2 174.9 82.6
57 0 0 5 24.329 48.659 0.23 9.29 2 69.3 12.9
58 4 2 -1 24.378 48.756 0.231 9.25 4 367.3 723.1
59 5 1 -3 24.396 48.791 0.231 9.23 4 37.7 7.6
60 4 2 0 24.484 48.969 0.232 9.15 4 264.7 371.8
61 4 2 -2 25.294 50.587 0.239 8.5 4 193.6 184.8
62 6 0 1 25.534 51.067 0.241 8.32 2 243.6 143.1
63 4 2 1 25.603 51.206 0.242 8.27 4 175.7 148.0
64 5 1 2 25.683 51.365 0.242 8.21 4 67.1 21.4
65 1 1 -5 25.735 51.471 0.243 8.17 4 101.9 49.2
66 2 2 3 25.811 51.622 0.243 8.12 4 102.8 49.7
67 6 0 -3 25.914 51.828 0.244 8.04 2 198.3 91.7
68 3 1 4 26.514 53.028 0.25 7.64 4 245.6 266.9
69 4 0 -5 26.772 53.544 0.252 7.47 2 46.5 4.7
70 3 1 -5 26.93 53.861 0.253 7.37 4 282.8 341.8
71 0 2 4 27.013 54.026 0.254 7.32 4 434.2 799.8
72 5 1 -4 27.126 54.252 0.255 7.25 4 92.4 35.9
73 4 2 -3 27.155 54.311 0.255 7.23 4 116.3 56.7
74 2 2 -4 27.165 54.33 0.255 7.23 4 258.9 280.8
75 2 0 5 27.185 54.37 0.255 7.21 2 162.4 55.1
76 1 1 5 27.205 54.41 0.256 7.2 4 234.3 229.1
77 4 2 2 27.646 55.291 0.259 6.94 4 125.8 63.6
78 4 0 4 27.658 55.316 0.259 6.94 2 28.8 1.7
79 6 0 2 27.864 55.729 0.261 6.82 2 69.9 9.7
80 1 3 0 28.274 56.547 0.265 6.6 4 2.1 0.0
81 6 0 -4 28.401 56.802 0.266 6.53 2 15.0 0.4
82 1 3 -1 28.598 57.196 0.268 6.43 4 126.2 59.4
83 5 1 3 28.794 57.589 0.269 6.33 4 72.8 19.5
84 1 3 1 28.876 57.753 0.27 6.29 4 183.1 122.3
85 2 0 -6 29.225 58.449 0.273 6.12 2 133.6 31.7
86 2 2 4 29.414 58.827 0.275 6.03 4 264.4 244.5
87 7 1 -1 29.589 59.178 0.276 5.95 4 16.7 1.0
88 0 0 6 29.629 59.258 0.276 5.94 2 127.6 28.0
89 1 3 -2 29.83 59.661 0.278 5.85 4 58.7 11.7
90 4 2 -4 29.844 59.688 0.278 5.84 4 161.5 88.3
91 7 1 -2 29.99 59.98 0.279 5.78 4 289.2 280.2
92 7 1 0 30.089 60.178 0.28 5.74 4 288.5 276.8
93 1 3 2 30.371 60.742 0.283 5.62 4 35.1 4.0
94 4 2 3 30.489 60.978 0.284 5.57 4 189.3 115.6
95 5 1 -5 30.576 61.152 0.284 5.53 4 54.4 9.5
96 6 2 -1 30.585 61.171 0.284 5.53 4 162.4 84.5
97 1 1 -6 30.734 61.468 0.286 5.47 4 80.0 20.3
98 3 3 0 30.75 61.501 0.286 5.46 4 108.6 37.3
99 3 3 -1 30.793 61.585 0.286 5.45 4 160.0 80.8
100 6 2 0 30.943 61.887 0.287 5.39 4 185.1 107.1
101 6 0 3 30.962 61.923 0.288 5.38 2 284.1 125.9
102 2 2 -5 31.012 62.024 0.288 5.36 4 128.5 51.3
103 3 1 5 31.082 62.164 0.289 5.34 4 154.3 73.6
104 6 2 -2 31.112 62.223 0.289 5.32 4 295.1 268.8
105 0 2 5 31.138 62.276 0.289 5.31 4 163.9 82.8
106 4 0 -6 31.267 62.534 0.29 5.27 2 376.7 216.6
107 7 1 -3 31.272 62.544 0.29 5.26 4 73.4 16.4
108 7 1 1 31.465 62.931 0.292 5.19 4 48.3 7.0
109 3 1 -6 31.542 63.085 0.292 5.17 4 137.7 56.8
110 3 3 1 31.587 63.174 0.293 5.15 4 286.0 244.1
111 6 0 -5 31.631 63.263 0.293 5.13 2 334.4 166.4
112 3 3 -2 31.712 63.423 0.294 5.11 4 226.9 152.4
113 1 3 -3 31.906 63.812 0.295 5.04 4 151.7 67.2
114 6 2 1 32.168 64.337 0.298 4.95 4 288.8 239.3
115 4 0 5 32.251 64.503 0.298 4.92 2 317.5 143.8
116 1 1 6 32.313 64.626 0.299 4.9 4 129.1 47.3
117 8 0 -1 32.381 64.763 0.299 4.88 2 373.2 196.9
118 2 0 6 32.425 64.849 0.3 4.87 2 19.9 0.6
119 6 2 -3 32.497 64.995 0.3 4.84 4 240.7 162.6
120 5 1 4 32.568 65.135 0.301 4.82 4 223.9 140.0
121 8 0 -2 32.634 65.268 0.301 4.8 2 254.4 90.0
122 1 3 3 32.685 65.37 0.302 4.78 4 154.7 66.4
123 8 0 0 32.986 65.971 0.304 4.69 2 98.3 13.1
124 4 2 -5 33.246 66.492 0.306 4.61 4 148.6 59.0
125 3 3 2 33.265 66.53 0.307 4.61 4 283.8 215.1
126 7 1 -4 33.377 66.755 0.308 4.57 4 259.4 178.4
127 3 3 -3 33.467 66.934 0.308 4.55 4 310.0 253.3
128 2 2 5 33.609 67.218 0.309 4.51 4 55.4 8.0
129 7 1 2 33.657 67.314 0.31 4.49 4 225.6 132.6
130 8 0 -3 33.733 67.466 0.31 4.47 2 150.4 29.3
131 4 2 4 34.027 68.055 0.313 4.39 4 143.2 52.2
132 6 2 2 34.211 68.421 0.314 4.34 4 177.7 79.5
133 8 0 1 34.423 68.846 0.316 4.29 2 115.7 16.6
134 2 0 -7 34.606 69.211 0.317 4.24 2 26.9 0.9
135 5 1 -6 34.646 69.293 0.318 4.23 4 76.5 14.4
136 6 2 -4 34.689 69.377 0.318 4.22 4 110.8 30.0
137 6 0 4 34.724 69.449 0.318 4.21 2 39.7 1.9
138 1 3 -4 34.745 69.49 0.319 4.21 4 19.7 0.9
139 5 3 -1 35.188 70.377 0.322 4.1 4 42.4 4.3
140 0 0 7 35.224 70.448 0.322 4.09 2 289.2 99.2
141 5 3 0 35.398 70.795 0.324 4.05 4 82.4 15.9
142 2 2 -6 35.429 70.857 0.324 4.04 4 92.8 20.2
143 6 0 -6 35.514 71.029 0.325 4.03 2 158.0 29.1
144 8 0 -4 35.64 71.28 0.326 4.0 2 135.6 21.3
145 3 3 3 35.726 71.452 0.326 3.98 4 113.3 29.6
146 1 3 4 35.741 71.481 0.327 3.98 4 57.7 7.7
147 0 2 6 35.794 71.588 0.327 3.96 4 242.8 135.4
148 5 3 -2 35.802 71.605 0.327 3.96 4 29.3 2.0
149 3 3 -4 36.0 72.0 0.329 3.92 4 92.2 19.3
150 3 1 6 36.112 72.224 0.329 3.9 4 228.6 118.0
151 1 1 -7 36.114 72.229 0.329 3.9 4 180.1 73.2
152 7 1 -5 36.238 72.475 0.33 3.87 4 95.5 20.5
153 4 0 -7 36.239 72.478 0.33 3.87 2 94.6 10.0
154 5 3 1 36.424 72.849 0.332 3.83 4 15.1 0.5
155 7 1 3 36.597 73.194 0.333 3.8 4 6.6 0.1
156 3 1 -7 36.618 73.236 0.333 3.79 4 341.9 257.0
157 8 0 2 36.649 73.299 0.334 3.79 2 200.0 43.9
158 5 1 5 36.935 73.871 0.336 3.73 4 76.2 12.6
159 6 2 3 37.009 74.018 0.336 3.72 4 70.5 10.7
160 5 3 -3 37.223 74.446 0.338 3.68 4 8.8 0.2
161 4 2 -6 37.29 74.58 0.339 3.67 4 163.3 56.7
162 4 0 6 37.325 74.649 0.339 3.66 2 211.3 47.4
163 6 2 -5 37.626 75.252 0.341 3.61 4 67.2 9.4
164 1 1 7 37.823 75.646 0.343 3.57 4 119.8 29.7
165 2 0 7 38.048 76.096 0.345 3.54 2 7.9 0.1
166 4 2 5 38.2 76.4 0.346 3.51 4 158.6 51.2
167 5 3 2 38.243 76.485 0.346 3.5 4 52.9 5.7
168 1 3 -5 38.285 76.57 0.346 3.5 4 94.1 18.0
169 8 0 -5 38.308 76.616 0.347 3.49 2 219.6 48.9
170 8 2 -1 38.321 76.642 0.347 3.49 4 84.7 14.5
171 2 2 6 38.361 76.722 0.347 3.49 4 196.9 78.3
172 9 1 -1 38.523 77.046 0.348 3.46 4 18.3 0.7
173 8 2 -2 38.556 77.112 0.348 3.46 4 31.8 2.0
174 9 1 -2 38.638 77.275 0.349 3.44 4 38.8 3.0
175 0 4 0 38.684 77.368 0.349 3.44 2 630.7 396.2
176 8 2 0 38.884 77.768 0.351 3.41 4 33.5 2.2
177 3 3 4 38.916 77.833 0.351 3.4 4 213.7 90.0
178 0 4 1 39.082 78.164 0.352 3.38 4 34.9 2.4
179 6 0 5 39.106 78.213 0.353 3.37 2 138.2 18.7
180 9 1 0 39.205 78.41 0.353 3.36 4 99.0 19.1
181 3 3 -5 39.258 78.516 0.354 3.35 4 256.9 128.3
182 5 1 -7 39.303 78.607 0.354 3.35 4 36.1 2.5
183 5 3 -4 39.42 78.839 0.355 3.33 4 66.3 8.5
184 1 3 5 39.485 78.97 0.355 3.32 4 181.0 63.1
185 9 1 -3 39.546 79.093 0.356 3.31 4 120.8 28.0
186 8 2 -3 39.585 79.169 0.356 3.31 4 201.7 78.0
187 8 0 3 39.619 79.237 0.356 3.3 2 218.7 45.8
188 2 4 0 39.768 79.535 0.358 3.28 4 35.2 2.4
189 7 1 -6 39.803 79.606 0.358 3.28 4 194.4 71.9
190 2 4 -1 39.925 79.849 0.359 3.26 4 19.4 0.7
191 6 0 -7 40.015 80.03 0.359 3.25 2 131.8 16.4
192 8 2 1 40.236 80.471 0.361 3.23 4 230.7 99.5
193 7 1 4 40.239 80.478 0.361 3.23 4 258.5 124.9
194 0 4 2 40.27 80.539 0.361 3.22 4 127.8 30.5
195 2 4 1 40.4 80.801 0.362 3.21 4 45.9 3.9
196 2 2 -7 40.408 80.817 0.362 3.2 4 74.2 10.2
197 2 0 -8 40.413 80.826 0.362 3.2 2 116.9 12.7
198 6 2 4 40.521 81.042 0.363 3.19 4 181.5 60.9
199 9 1 1 40.673 81.345 0.364 3.17 4 91.0 15.2
200 5 3 3 40.822 81.643 0.365 3.16 4 66.5 8.1
201 2 4 -2 40.869 81.738 0.366 3.15 4 38.4 2.7
202 0 2 7 40.995 81.991 0.367 3.14 4 94.6 16.3
203 9 1 -4 41.236 82.472 0.368 3.11 4 196.5 69.7
204 0 0 8 41.237 82.474 0.368 3.11 2 388.3 136.0
205 6 2 -6 41.272 82.544 0.369 3.11 4 303.5 166.0
206 8 2 -4 41.392 82.784 0.37 3.1 4 30.6 1.7
207 7 3 -1 41.504 83.009 0.37 3.09 4 5.0 0.0
208 3 1 7 41.655 83.31 0.372 3.07 4 82.3 12.0
209 8 0 -6 41.702 83.404 0.372 3.07 2 109.3 10.6
210 4 0 -8 41.733 83.467 0.372 3.06 2 35.5 1.1
211 2 4 2 41.815 83.63 0.373 3.06 4 13.3 0.3
212 7 3 -2 41.853 83.705 0.373 3.05 4 266.4 125.5
213 5 1 6 41.901 83.801 0.373 3.05 4 28.5 1.4
214 7 3 0 41.939 83.878 0.374 3.04 4 247.2 107.8
215 4 2 -7 41.965 83.93 0.374 3.04 4 5.1 0.0
216 1 1 -8 41.968 83.936 0.374 3.04 4 107.3 20.3
217 10 0 -2 42.093 84.186 0.375 3.03 2 71.4 4.5
218 10 0 -1 42.099 84.197 0.375 3.03 2 155.8 21.3
219 3 1 -8 42.216 84.432 0.376 3.02 4 6.4 0.1
220 0 4 3 42.232 84.464 0.376 3.02 4 131.2 30.1
221 8 2 2 42.359 84.718 0.377 3.01 4 211.7 78.1
222 5 3 -5 42.366 84.731 0.377 3.01 4 61.5 6.6
223 1 3 -6 42.505 85.01 0.378 2.99 4 60.8 6.4
224 2 4 -3 42.591 85.182 0.378 2.99 4 18.7 0.6
225 3 3 5 42.813 85.625 0.38 2.97 4 137.7 32.6
226 10 0 -3 42.868 85.736 0.38 2.96 2 221.8 42.2
227 10 0 0 42.886 85.771 0.38 2.96 2 152.8 20.0
228 4 4 -1 42.899 85.798 0.381 2.96 4 28.1 1.4
229 9 1 2 42.91 85.819 0.381 2.96 4 40.6 2.8
230 4 0 7 42.94 85.88 0.381 2.96 2 137.7 16.3
231 4 4 0 42.979 85.958 0.381 2.96 4 15.6 0.4
232 7 3 -3 42.981 85.963 0.381 2.96 4 54.7 5.1
233 4 2 6 43.01 86.02 0.381 2.95 4 41.6 3.0
234 7 3 1 43.154 86.307 0.382 2.94 4 17.1 0.5
235 3 3 -6 43.222 86.445 0.383 2.94 4 118.3 23.8
236 8 0 4 43.31 86.621 0.383 2.93 2 65.0 3.6
237 4 4 -2 43.598 87.196 0.385 2.91 4 239.1 96.4
238 9 1 -5 43.692 87.383 0.386 2.9 4 27.6 1.3
239 2 2 7 43.711 87.423 0.386 2.9 4 21.8 0.8
240 4 4 1 43.839 87.677 0.387 2.89 4 252.2 106.7
241 1 1 8 43.85 87.7 0.387 2.89 4 124.2 25.9
242 1 3 6 43.915 87.83 0.388 2.89 4 90.9 13.8
243 8 2 -5 43.964 87.928 0.388 2.89 4 191.8 61.6
244 2 4 3 44.001 88.002 0.388 2.88 4 77.2 10.0
245 7 1 -7 44.067 88.135 0.389 2.88 4 67.2 7.5
246 6 0 6 44.13 88.26 0.389 2.88 2 36.4 1.1
247 5 3 4 44.146 88.291 0.389 2.88 4 211.2 74.3
248 2 0 8 44.185 88.371 0.39 2.87 2 61.6 3.2
249 10 0 -4 44.42 88.841 0.391 2.86 2 78.7 5.1
250 10 0 1 44.449 88.898 0.391 2.86 2 226.5 42.5
251 7 1 5 44.583 89.165 0.392 2.85 4 65.1 7.0
252 5 1 -8 44.589 89.179 0.392 2.85 4 3.4 0.0
253 6 2 5 44.744 89.487 0.393 2.84 4 332.3 181.8
254 7 3 -4 44.885 89.77 0.394 2.83 4 244.7 98.4
255 0 4 4 44.959 89.918 0.395 2.83 4 377.5 233.8
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 4.726 9.453 10.85556 351.3 14.1 14.4 5.6
2 2 0 0 7.823 15.645 6.57174 69.0 2.8 2.8 5.6
3 2 0 -1 8.376 16.753 6.14018 35.1 1.4 1.4 5.6
4 0 0 2 9.485 18.97 5.42778 472.6 18.9 19.2 5.6
5 2 0 1 9.874 19.749 5.21589 90.2 3.6 3.7 5.6
6 1 1 -1 10.592 21.185 4.86595 705.7 28.3 28.7 5.6
7 2 0 -2 11.165 22.33 4.6193 30.4 1.2 1.2 5.6
8 1 1 1 11.223 22.447 4.59554 955.5 38.3 38.8 5.6
9 1 1 -2 13.196 26.391 3.9183 81.0 3.2 3.3 5.6
10 0 0 3 14.311 28.623 3.61852 349.3 14.0 14.1 5.6
11 3 1 0 14.898 29.795 3.47911 297.5 11.9 12.0 5.6
12 3 1 -1 14.972 29.945 3.46216 546.4 21.9 22.1 5.6
13 3 1 1 16.327 32.654 3.1818 1662.2 66.6 67.0 5.6
14 3 1 -2 16.532 33.065 3.14332 1270.2 50.9 51.2 5.6
15 1 1 -3 16.849 33.697 3.086 416.7 16.7 16.8 5.7
16 4 0 -2 16.939 33.877 3.07009 616.5 24.7 24.8 5.7
17 4 0 1 17.365 34.73 2.99694 652.0 26.1 26.2 5.7
18 2 0 3 17.648 35.296 2.95041 87.6 3.5 3.5 5.7
19 1 1 3 18.078 36.155 2.8825 356.1 14.3 14.3 5.7
20 0 2 0 18.211 36.422 2.86215 1028.4 41.2 41.3 5.7
21 0 2 1 18.856 37.712 2.76757 180.7 7.2 7.3 5.7
22 3 1 2 18.957 37.914 2.75335 947.6 38.0 38.0 5.7
23 3 1 -3 19.258 38.515 2.71199 2494.4 100.0 100.0 5.7
24 4 0 -3 19.428 38.857 2.68907 301.2 12.1 12.1 5.7
25 2 2 0 19.93 39.859 2.62408 190.3 7.6 7.6 5.7
26 4 0 2 20.058 40.116 2.60795 220.4 8.8 8.8 5.7
27 2 2 -1 20.169 40.339 2.59416 108.9 4.4 4.4 5.7
28 0 2 2 20.689 41.379 2.53173 578.4 23.2 23.1 5.7
29 2 2 1 20.884 41.767 2.5092 164.8 6.6 6.6 5.7
30 2 2 -2 21.57 43.14 2.43298 60.8 2.4 2.4 5.7
31 5 1 -1 21.703 43.407 2.41875 41.3 1.7 1.6 5.7
32 5 1 0 21.989 43.978 2.38885 83.9 3.4 3.3 5.7
33 3 1 3 22.433 44.866 2.34395 200.0 8.0 8.0 5.7
34 4 0 -4 22.785 45.57 2.30965 180.4 7.2 7.2 5.7
35 0 2 3 23.482 46.963 2.24481 123.9 5.0 4.9 5.7
36 4 0 3 23.56 47.12 2.23779 195.8 7.8 7.8 5.7
37 6 0 -1 23.675 47.349 2.22757 168.1 6.7 6.7 5.7
38 6 0 -2 24.298 48.597 2.17373 82.6 3.3 3.3 5.7
39 4 2 -1 24.378 48.756 2.16705 730.7 29.3 29.0 5.7
40 4 2 0 24.484 48.969 2.15821 371.8 14.9 14.7 5.7
41 4 2 -2 25.294 50.587 2.0935 184.8 7.4 7.3 5.8
42 6 0 1 25.534 51.067 2.07512 143.1 5.7 5.7 5.8
43 4 2 1 25.603 51.206 2.06986 148.0 5.9 5.8 5.8
44 1 1 -5 25.735 51.471 2.05995 49.2 2.0 1.9 5.8
45 2 2 3 25.811 51.622 2.05434 49.7 2.0 2.0 5.8
46 6 0 -3 25.914 51.828 2.04673 91.7 3.7 3.6 5.8
47 3 1 4 26.514 53.028 2.00365 266.9 10.7 10.5 5.8
48 3 1 -5 26.93 53.861 1.97493 341.8 13.7 13.5 5.8
49 0 2 4 27.013 54.026 1.96934 799.8 32.1 31.5 5.8
50 5 1 -4 27.126 54.252 1.96176 35.9 1.4 1.4 5.8
51 2 2 -4 27.165 54.33 1.95915 337.5 13.5 13.3 5.8
52 1 1 5 27.205 54.41 1.95648 284.3 11.4 11.2 5.8
53 4 2 2 27.646 55.291 1.92771 65.3 2.6 2.6 5.8
54 1 3 -1 28.598 57.196 1.86866 59.4 2.4 2.3 5.8
55 1 3 1 28.876 57.753 1.85219 122.3 4.9 4.8 5.8
56 2 0 -6 29.225 58.449 1.83202 31.7 1.3 1.2 5.8
57 2 2 4 29.414 58.827 1.82129 244.5 9.8 9.6 5.8
58 0 0 6 29.629 59.258 1.80926 28.0 1.1 1.1 5.8
59 4 2 -4 29.844 59.688 1.79741 100.0 4.0 3.9 5.8
60 7 1 -2 29.99 59.98 1.78945 280.2 11.2 10.9 5.8
61 7 1 0 30.089 60.178 1.78411 276.8 11.1 10.8 5.8
62 4 2 3 30.489 60.978 1.76292 115.6 4.6 4.5 5.8
63 6 2 -1 30.585 61.171 1.75791 94.0 3.8 3.7 5.8
64 3 3 0 30.75 61.501 1.74939 57.6 2.3 2.2 5.8
65 3 3 -1 30.793 61.585 1.74722 80.8 3.2 3.1 5.8
66 6 0 3 30.962 61.923 1.73863 233.0 9.3 9.1 5.8
67 2 2 -5 31.012 62.024 1.73608 51.3 2.1 2.0 5.8
68 3 1 5 31.082 62.164 1.73256 73.6 3.0 2.9 5.8
69 6 2 -2 31.112 62.223 1.73108 351.6 14.1 13.7 5.8
70 4 0 -6 31.267 62.534 1.72334 233.1 9.3 9.1 5.8
71 3 1 -6 31.542 63.085 1.70982 56.8 2.3 2.2 5.9
72 3 3 1 31.587 63.174 1.70767 244.1 9.8 9.5 5.9
73 6 0 -5 31.631 63.263 1.70551 166.4 6.7 6.5 5.9
74 3 3 -2 31.712 63.423 1.70164 152.4 6.1 5.9 5.9
75 1 3 -3 31.906 63.812 1.69237 67.2 2.7 2.6 5.9
76 6 2 1 32.168 64.337 1.68002 239.3 9.6 9.3 5.9
77 4 0 5 32.251 64.503 1.67616 143.8 5.8 5.6 5.9
78 1 1 6 32.313 64.626 1.67331 47.3 1.9 1.8 5.9
79 8 0 -1 32.381 64.763 1.67016 196.9 7.9 7.6 5.9
80 6 2 -3 32.497 64.995 1.66485 162.6 6.5 6.3 5.9
81 5 1 4 32.568 65.135 1.66165 140.0 5.6 5.4 5.9
82 8 0 -2 32.634 65.268 1.65866 90.0 3.6 3.5 5.9
83 1 3 3 32.685 65.37 1.65635 66.4 2.7 2.6 5.9
84 3 3 2 33.265 66.53 1.63071 274.1 11.0 10.6 5.9
85 7 1 -4 33.377 66.755 1.62585 178.4 7.2 6.9 5.9
86 3 3 -3 33.467 66.934 1.62198 253.3 10.2 9.8 5.9
87 7 1 2 33.657 67.314 1.6139 132.6 5.3 5.1 5.9
88 8 0 -3 33.733 67.466 1.61071 29.3 1.2 1.1 5.9
89 4 2 4 34.027 68.055 1.59842 52.2 2.1 2.0 5.9
90 6 2 2 34.211 68.421 1.5909 79.5 3.2 3.1 5.9
91 6 2 -4 34.689 69.377 1.57166 30.0 1.2 1.2 5.9
92 0 0 7 35.224 70.448 1.55079 99.2 4.0 3.8 5.9
93 6 0 -6 35.514 71.029 1.53977 29.1 1.2 1.1 5.9
94 3 3 3 35.726 71.452 1.53185 37.3 1.5 1.4 5.9
95 0 2 6 35.794 71.588 1.52933 137.4 5.5 5.3 5.9
96 3 1 6 36.112 72.224 1.51767 191.3 7.7 7.3 5.9
97 7 1 -5 36.238 72.475 1.51312 30.5 1.2 1.2 5.9
98 3 1 -7 36.618 73.236 1.49957 257.0 10.3 9.8 6.0
99 8 0 2 36.649 73.299 1.49847 43.9 1.8 1.7 6.0
100 4 2 -6 37.29 74.58 1.47638 56.7 2.3 2.2 6.0
101 4 0 6 37.325 74.649 1.47521 47.4 1.9 1.8 6.0
102 1 1 7 37.823 75.646 1.45862 29.7 1.2 1.1 6.0
103 4 2 5 38.2 76.4 1.44639 51.2 2.1 1.9 6.0
104 8 0 -5 38.308 76.616 1.44294 81.3 3.3 3.1 6.0
105 2 2 6 38.361 76.722 1.44125 78.3 3.1 3.0 6.0
106 0 4 0 38.684 77.368 1.43107 396.2 15.9 15.0 6.0
107 3 3 4 38.916 77.833 1.42388 90.0 3.6 3.4 6.0
108 3 3 -5 39.258 78.516 1.41346 128.3 5.1 4.8 6.0
109 1 3 5 39.485 78.97 1.40665 63.1 2.5 2.4 6.0
110 9 1 -3 39.546 79.093 1.40483 28.0 1.1 1.1 6.0
111 8 2 -3 39.585 79.169 1.4037 78.0 3.1 2.9 6.0
112 8 0 3 39.619 79.237 1.40269 45.8 1.8 1.7 6.0
113 7 1 -6 39.803 79.606 1.39726 71.9 2.9 2.7 6.0
114 7 1 4 40.239 80.478 1.38466 224.4 9.0 8.4 6.0
115 0 4 2 40.27 80.539 1.38379 30.5 1.2 1.1 6.1
116 2 0 -8 40.413 80.826 1.37972 26.8 1.1 1.0 6.1
117 6 2 4 40.521 81.042 1.37668 60.9 2.4 2.3 6.1
118 0 0 8 41.237 82.474 1.35694 205.7 8.2 7.7 6.1
119 6 2 -6 41.272 82.544 1.356 166.0 6.7 6.2 6.1
120 7 3 -2 41.853 83.705 1.34058 125.5 5.0 4.7 6.1
121 7 3 0 41.939 83.878 1.33833 128.2 5.1 4.8 6.1
122 10 0 -1 42.099 84.197 1.3342 25.8 1.0 1.0 6.1
123 0 4 3 42.232 84.464 1.33078 30.1 1.2 1.1 6.1
124 8 2 2 42.359 84.718 1.32754 84.7 3.4 3.2 6.1
125 3 3 5 42.813 85.625 1.31615 32.6 1.3 1.2 6.1
126 10 0 -3 42.868 85.736 1.31478 62.3 2.5 2.3 6.1
127 4 4 -2 43.598 87.196 1.29708 96.4 3.9 3.6 6.2
128 4 4 1 43.839 87.677 1.2914 132.6 5.3 4.9 6.2
129 8 2 -5 43.964 87.928 1.28846 61.6 2.5 2.3 6.2
130 5 3 4 44.146 88.291 1.28425 75.4 3.0 2.8 6.2
131 10 0 1 44.449 88.898 1.2773 47.6 1.9 1.8 6.2
132 6 2 5 44.744 89.487 1.27066 181.8 7.3 6.7 6.2
133 7 3 -4 44.885 89.77 1.2675 98.4 3.9 3.6 6.2
134 0 4 4 44.959 89.918 1.26586 233.8 9.4 8.6 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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