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
1, f-perrierite
Ce(4)Fe(Ti,Fe)(2)Ti(2)O(8)[Si(2)O(7)](2)
Monoclinic C 2/m Z = 2
R =0.0241 NR =1250
26 .12 .1902
Ref.Str.:
Zh. Yang et al. (2002)
* Eur. J. Mineral., 14, 965-975
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.456 alpha = 90.0
b = 5.728 beta = 100.6
c = 11.083 gamma = 90.0
Unit cell volume (cub. angs.) = 839.66
Molar volume ( cub.cm/mol.) = 252.88
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3562 0.0 0.2344 0.0 Ce = 0.93, Ca = 0.02
2 0.0697 0.0 0.2397 0.0 Ce = 0.91, Ca = 0.05
3 0.5 0.0 0.0 0.0 Fe = 0.55, Mg = 0.24, Ti = 0.18
4 0.25 0.25 0.5 0.0 Fe = 0.39, Ti = 0.55, Nb = 0.03
5 0.5 0.0 0.5 0.0 Fe = 0.27, Ti = 0.66, Nb = 0.04
6 0.0 0.0 0.5 0.0 Fe = 0.14, Ti = 0.8 , Nb = 0.04
7 0.2009 0.5 0.2314 0.0 Si = 1.00
8 0.3576 0.5 0.0466 0.0 Si = 1.00
9 0.2281 0.265 0.3145 0.0 O = 1.00
10 0.4779 0.2542 0.3737 0.0 O = 1.00
11 0.4261 0.2723 0.0935 0.0 O = 1.00
12 0.1462 0.0 0.4776 0.0 O = 1.00
13 0.3476 0.0 0.4896 0.0 O = 1.00
14 0.0849 0.5 0.1718 0.0 O = 1.00
15 0.2706 0.5 0.1287 0.0 O = 1.00
16 0.1868 0.0 0.0965 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3562 0.0 0.2344
2 2 0.0697 0.0 0.2397
3 3 0.5 0.0 0.0
4 4 0.25 0.25 0.5
5 5 0.5 0.0 0.5
6 6 0.0 0.0 0.5
7 7 0.2009 0.5 0.2314
8 8 0.3576 0.5 0.0466
9 9 0.2281 0.265 0.3145
10 10 0.4779 0.2542 0.3737
11 11 0.4261 0.2723 0.0935
12 12 0.1462 0.0 0.4776
13 13 0.3476 0.0 0.4896
14 14 0.0849 0.5 0.1718
15 15 0.2706 0.5 0.1287
16 16 0.1868 0.0 0.0965
17 1 0.6438 0.0 0.7656
18 2 0.9304 0.0 0.7603
19 4 0.75 0.75 0.5
20 7 0.7991 0.5 0.7686
21 8 0.6424 0.5 0.9534
22 9 0.7719 0.735 0.6855
23 10 0.5221 0.7458 0.6263
24 11 0.5739 0.7277 0.9065
25 12 0.8538 0.0 0.5224
26 13 0.6524 0.0 0.5104
27 14 0.9151 0.5 0.8282
28 15 0.7294 0.5 0.8713
29 16 0.8132 0.0 0.9035
30 4 0.25 0.75 0.5
31 9 0.2281 0.735 0.3145
32 10 0.4779 0.7458 0.3737
33 11 0.4261 0.7277 0.0935
34 4 0.75 0.25 0.5
35 9 0.7719 0.265 0.6855
36 10 0.5221 0.2542 0.6263
37 11 0.5739 0.2723 0.9065
38 1 0.8562 0.5 0.2344
39 2 0.5696 0.5 0.2397
40 3 0.0 0.5 0.0
41 5 0.0 0.5 0.5
42 6 0.5 0.5 0.5
43 7 0.7009 0.0 0.2314
44 8 0.8576 0.0 0.0466
45 9 0.7281 0.235 0.3145
46 10 0.9779 0.2458 0.3737
47 11 0.9261 0.2277 0.0935
48 12 0.6462 0.5 0.4776
49 13 0.8476 0.5 0.4896
50 14 0.5849 0.0 0.1718
51 15 0.7706 0.0 0.1287
52 16 0.6868 0.5 0.0965
53 1 0.1438 0.5 0.7656
54 2 0.4304 0.5 0.7603
55 7 0.2991 0.0 0.7686
56 8 0.1424 0.0 0.9534
57 9 0.2719 0.765 0.6855
58 10 0.0221 0.7542 0.6263
59 11 0.0739 0.7723 0.9065
60 12 0.3538 0.5 0.5224
61 13 0.1524 0.5 0.5104
62 14 0.4151 0.0 0.8282
63 15 0.2294 0.0 0.8713
64 16 0.3132 0.5 0.9035
65 9 0.7281 0.765 0.3145
66 10 0.9779 0.7542 0.3737
67 11 0.9261 0.7723 0.0935
68 9 0.2719 0.235 0.6855
69 10 0.0221 0.2458 0.6263
70 11 0.0739 0.2277 0.9065
X-ray density (g/cm cub.) = 4.88
MU (1/cm) = 1257.428 Mass attenuation coefficient (cm**2/g) = 257.778
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ce ,Ca 2.88 8
2.5743 9
2.5013 10
2.509 11
2.8524 13
2.4997 16
2.5743 9
2.5013 10
2.509 11
2 Ce ,Ca 2.88 8
2.6243 9
2.6487 12
2.4337 16
2.6243 9
2.5274 10
2.6278 11
2.5274 10
2.6278 11
3 Fe ,Mg ,Ti 2.592 6
2.2078 11
2.2078 11
2.2078 11
2.2078 11
2.0323 14
2.0323 14
4 Fe ,Ti ,Nb 2.592 6
2.0244 9
1.9838 12
1.9607 13
1.9838 12
1.9607 13
2.0244 9
5 Fe ,Ti ,Nb 2.592 6
2.0037 10
2.0327 13
2.0037 10
2.0327 13
2.0037 10
2.0037 10
6 Fe ,Ti ,Nb 2.592 6
2.0277 12
2.0277 12
1.969 10
1.969 10
1.969 10
1.969 10
7 Si 2.1 4
1.634 9
1.579 14
1.6025 15
1.634 9
8 Si 2.1 4
1.6262 11
1.6094 15
1.6262 11
1.5886 16
9 O 3.264 9
2.7421 12
2.74 13
2.6277 14
2.6101 15
2.8207 16
2.6922 9
3.0358 9
2.9237 12
2.8943 13
10 O 3.264 9
3.0568 11
2.77 13
2.936 13
2.8159 10
2.9121 10
2.7529 10
2.7345 12
3.2227 14
2.9154 12
11 O 3.264 7
3.0568 10
2.5557 15
2.6085 11
3.1195 11
3.1252 11
2.6589 14
2.6956 16
12 O 3.264 11
2.7421 9
2.6888 13
2.7421 9
2.7345 10
2.9237 9
2.9154 10
2.8863 13
2.8863 13
2.7345 10
2.9237 9
2.9154 10
13 O 3.264 11
2.74 9
2.77 10
2.6888 12
2.936 10
2.74 9
2.77 10
2.936 10
2.8943 9
2.8863 12
2.8863 12
2.8943 9
14 O 3.264 7
2.6277 9
2.6289 15
2.6277 9
3.2227 10
2.6589 11
3.2227 10
2.6589 11
15 O 3.264 8
2.6101 9
2.5557 11
2.6289 14
3.0746 16
3.0746 16
2.6101 9
2.5557 11
2.6617 16
16 O 3.264 7
2.8207 9
3.0746 15
3.0746 15
2.8207 9
2.6956 11
2.6617 15
2.6956 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 4.71 9.419 0.046 293.69 2 63.6 336.8
2 2 0 0 7.773 15.547 0.076 106.38 2 48.6 71.2
3 2 0 -1 8.322 16.644 0.081 92.53 2 9.0 2.1
4 0 0 2 9.452 18.903 0.092 71.24 2 163.1 537.6
5 1 1 0 9.798 19.595 0.095 66.15 4 30.3 34.5
6 2 0 1 9.826 19.651 0.095 65.76 2 48.9 44.7
7 1 1 -1 10.571 21.142 0.103 56.52 4 154.8 768.4
8 2 0 -2 11.104 22.207 0.108 51.03 2 40.2 23.4
9 1 1 1 11.202 22.405 0.109 50.1 4 166.1 784.4
10 1 1 -2 13.161 26.321 0.127 35.73 4 46.1 43.0
11 2 0 2 13.365 26.73 0.129 34.58 2 50.0 24.6
12 1 1 2 14.18 28.36 0.137 30.5 4 20.7 7.4
13 0 0 3 14.26 28.52 0.138 30.13 2 223.1 425.4
14 3 1 0 14.834 29.668 0.143 27.7 4 149.7 352.3
15 3 1 -1 14.905 29.809 0.144 27.42 4 191.1 567.8
16 2 0 -3 14.968 29.936 0.144 27.17 2 17.4 2.3
17 4 0 -1 15.536 31.073 0.15 25.08 2 10.4 0.8
18 4 0 0 15.694 31.389 0.151 24.54 2 2.6 0.0
19 3 1 1 16.262 32.524 0.157 22.73 4 337.1 1465.3
20 3 1 -2 16.457 32.914 0.158 22.15 4 302.8 1152.0
21 1 1 -3 16.796 33.592 0.162 21.19 4 177.6 379.0
22 4 0 -2 16.827 33.654 0.162 21.11 2 309.7 574.2
23 4 0 1 17.265 34.53 0.166 19.96 2 344.1 670.3
24 2 0 3 17.58 35.16 0.169 19.18 2 96.2 50.4
25 1 1 3 18.026 36.052 0.173 18.16 4 185.0 352.5
26 0 2 0 18.199 36.397 0.175 17.78 2 449.0 1017.2
27 0 2 1 18.84 37.68 0.181 16.48 4 120.9 136.7
28 3 1 2 18.886 37.771 0.181 16.39 4 320.2 953.6
29 3 1 -3 19.17 38.341 0.184 15.86 4 378.9 1291.6
30 0 0 4 19.173 38.347 0.184 15.85 2 470.5 995.6
31 4 0 -3 19.309 38.617 0.185 15.61 2 252.6 282.5
32 2 0 -4 19.353 38.706 0.185 15.53 2 19.5 1.7
33 2 2 0 19.898 39.795 0.19 14.6 4 134.3 149.5
34 4 0 2 19.956 39.912 0.191 14.51 2 205.3 173.5
35 2 2 -1 20.134 40.268 0.192 14.22 4 119.2 114.7
36 0 2 2 20.662 41.324 0.197 13.43 4 263.5 529.0
37 2 2 1 20.848 41.696 0.199 13.16 4 148.3 164.2
38 1 1 -4 21.019 42.038 0.201 12.92 4 67.9 33.8
39 2 2 -2 21.526 43.051 0.205 12.25 4 81.7 46.4
40 5 1 -1 21.578 43.155 0.206 12.18 4 68.9 32.9
41 5 1 0 21.867 43.734 0.208 11.82 4 101.4 68.9
42 2 0 4 22.178 44.357 0.211 11.45 2 63.9 13.2
43 3 1 3 22.35 44.701 0.213 11.25 4 151.7 147.0
44 1 1 4 22.382 44.764 0.213 11.22 4 83.6 44.5
45 5 1 -2 22.403 44.807 0.213 11.19 4 32.2 6.6
46 4 0 -4 22.654 45.308 0.215 10.92 2 203.3 128.0
47 3 1 -4 22.698 45.396 0.216 10.87 4 102.2 64.4
48 2 2 2 22.864 45.728 0.217 10.69 4 45.2 12.4
49 5 1 1 23.238 46.477 0.221 10.31 4 44.6 11.6
50 0 2 3 23.438 46.876 0.222 10.11 4 180.3 186.5
51 4 0 3 23.45 46.9 0.222 10.1 2 265.0 201.2
52 6 0 -1 23.51 47.02 0.223 10.04 2 220.9 139.0
53 2 2 -3 23.908 47.817 0.227 9.66 4 32.0 5.6
54 6 0 0 23.939 47.878 0.227 9.63 2 0.3 0.0
55 2 0 -5 24.075 48.149 0.228 9.51 2 65.7 11.7
56 6 0 -2 24.128 48.255 0.229 9.46 2 180.5 87.5
57 0 0 5 24.238 48.477 0.229 9.37 2 50.6 6.8
58 5 1 -3 24.255 48.509 0.23 9.35 4 22.9 2.8
59 4 2 -1 24.295 48.591 0.23 9.32 4 345.3 630.3
60 4 2 0 24.404 48.809 0.231 9.22 4 254.7 339.5
61 4 2 -2 25.204 50.407 0.238 8.57 4 202.9 200.1
62 6 0 1 25.375 50.749 0.24 8.44 2 262.1 164.5
63 4 2 1 25.521 51.042 0.241 8.33 4 197.1 183.5
64 5 1 2 25.557 51.114 0.241 8.3 4 70.3 23.3
65 1 1 -5 25.643 51.286 0.242 8.24 4 107.4 54.0
66 6 0 -3 25.736 51.471 0.243 8.17 2 213.5 105.7
67 2 2 3 25.751 51.503 0.243 8.16 4 109.3 55.3
68 3 1 4 26.416 52.832 0.249 7.7 4 263.9 304.2
69 4 0 -5 26.626 53.253 0.251 7.56 2 34.3 2.5
70 3 1 -5 26.811 53.621 0.252 7.44 4 293.9 364.9
71 0 2 4 26.95 53.9 0.253 7.36 4 433.7 785.3
72 5 1 -4 26.973 53.946 0.254 7.34 4 83.6 29.1
73 4 2 -3 27.054 54.108 0.254 7.29 4 128.5 68.3
74 2 0 5 27.082 54.163 0.254 7.28 2 148.8 45.7
75 2 2 -4 27.088 54.176 0.255 7.27 4 241.2 240.1
76 1 1 5 27.113 54.227 0.255 7.26 4 213.9 188.4
77 4 0 4 27.536 55.072 0.258 7.01 2 37.8 2.8
78 4 2 2 27.557 55.113 0.259 6.99 4 118.8 56.0
79 6 0 2 27.703 55.406 0.26 6.91 2 63.7 7.9
80 6 0 -4 28.212 56.424 0.264 6.63 2 21.3 0.9
81 1 3 0 28.25 56.5 0.265 6.61 4 4.3 0.1
82 1 3 -1 28.572 57.144 0.267 6.44 4 134.4 66.0
83 5 1 3 28.661 57.321 0.268 6.4 4 59.4 12.8
84 1 3 1 28.85 57.699 0.27 6.3 4 171.4 105.0
85 2 0 -6 29.097 58.194 0.272 6.18 2 118.2 24.5
86 2 2 4 29.336 58.673 0.274 6.07 4 255.0 223.9
87 7 1 -1 29.396 58.792 0.274 6.04 4 2.9 0.0
88 0 0 6 29.514 59.029 0.275 5.99 2 127.1 27.5
89 4 2 -4 29.727 59.455 0.277 5.89 4 163.6 89.5
90 7 1 -2 29.791 59.582 0.278 5.86 4 294.7 289.0
91 1 3 -2 29.795 59.591 0.278 5.86 4 45.5 6.9
92 7 1 0 29.899 59.799 0.279 5.82 4 279.6 258.0
93 1 3 2 30.335 60.671 0.282 5.63 4 31.8 3.2
94 4 2 3 30.389 60.778 0.283 5.61 4 175.0 97.5
95 5 1 -5 30.408 60.815 0.283 5.6 4 48.6 7.5
96 6 2 -1 30.439 60.878 0.283 5.59 4 159.3 80.4
97 1 1 -6 30.618 61.236 0.285 5.52 4 58.5 10.7
98 3 3 0 30.698 61.396 0.285 5.49 4 116.9 42.5
99 3 3 -1 30.738 61.476 0.286 5.47 4 166.7 86.2
100 6 0 3 30.793 61.587 0.286 5.45 2 266.1 109.4
101 6 2 0 30.8 61.599 0.286 5.44 4 184.9 105.6
102 2 2 -5 30.914 61.828 0.287 5.4 4 125.4 48.2
103 6 2 -2 30.959 61.918 0.288 5.38 4 280.6 240.5
104 3 1 5 30.965 61.93 0.288 5.38 4 122.5 45.8
105 0 2 5 31.053 62.105 0.288 5.35 4 164.7 82.3
106 7 1 -3 31.064 62.129 0.288 5.34 4 83.2 21.0
107 4 0 -6 31.102 62.204 0.289 5.33 2 383.5 222.3
108 7 1 1 31.276 62.551 0.29 5.26 4 56.9 9.7
109 3 1 -6 31.401 62.802 0.291 5.22 4 108.8 35.0
110 6 0 -5 31.429 62.857 0.291 5.21 2 306.7 138.9
111 3 3 1 31.531 63.063 0.292 5.17 4 270.3 214.3
112 3 3 -2 31.649 63.299 0.293 5.13 4 215.9 135.6
113 1 3 -3 31.857 63.715 0.295 5.06 4 146.1 61.2
114 6 2 1 32.023 64.047 0.296 5.0 4 292.3 242.3
115 4 0 5 32.112 64.223 0.297 4.97 2 326.8 150.5
116 8 0 -1 32.145 64.291 0.297 4.96 2 375.1 197.9
117 1 1 6 32.197 64.394 0.298 4.94 4 135.3 51.3
118 2 0 6 32.298 64.596 0.299 4.91 2 22.6 0.7
119 6 2 -3 32.335 64.67 0.299 4.89 4 240.8 161.0
120 8 0 -2 32.392 64.783 0.299 4.88 2 241.2 80.5
121 5 1 4 32.421 64.842 0.3 4.87 4 211.2 123.2
122 1 3 3 32.636 65.271 0.301 4.8 4 153.5 64.1
123 8 0 0 32.753 65.506 0.302 4.76 2 84.3 9.6
124 4 2 -5 33.11 66.221 0.305 4.65 4 116.4 35.8
125 7 1 -4 33.158 66.315 0.306 4.64 4 253.0 168.4
126 3 3 2 33.201 66.402 0.306 4.62 4 287.4 216.7
127 3 3 -3 33.393 66.785 0.308 4.57 4 301.6 235.7
128 7 1 2 33.463 66.927 0.308 4.55 4 224.7 130.3
129 8 0 -3 33.482 66.964 0.308 4.54 2 146.3 27.6
130 2 2 5 33.51 67.02 0.309 4.53 4 49.0 6.2
131 4 2 4 33.911 67.823 0.312 4.42 4 115.4 33.4
132 6 2 2 34.06 68.119 0.313 4.38 4 155.4 60.1
133 8 0 1 34.19 68.381 0.314 4.35 2 107.4 14.2
134 2 0 -7 34.452 68.903 0.316 4.28 2 7.2 0.1
135 5 1 -6 34.458 68.916 0.316 4.28 4 82.7 16.6
136 6 2 -4 34.512 69.025 0.317 4.26 4 97.6 23.1
137 6 0 4 34.544 69.088 0.317 4.26 2 62.7 4.7
138 1 3 -4 34.678 69.357 0.318 4.22 4 25.2 1.5
139 5 3 -1 35.081 70.163 0.321 4.13 4 32.4 2.5
140 0 0 7 35.082 70.164 0.321 4.13 2 322.0 121.3
141 6 0 -6 35.292 70.585 0.323 4.08 2 165.4 31.6
142 5 3 0 35.293 70.585 0.323 4.08 4 74.9 13.0
143 2 2 -6 35.306 70.611 0.323 4.07 4 88.8 18.2
144 8 0 -4 35.377 70.755 0.324 4.06 2 126.6 18.4
145 3 3 3 35.649 71.299 0.326 4.0 4 103.2 24.1
146 1 3 4 35.673 71.346 0.326 3.99 4 71.3 11.5
147 0 2 6 35.683 71.365 0.326 3.99 4 229.0 118.6
148 5 3 -2 35.689 71.378 0.326 3.99 4 35.6 2.9
149 3 3 -4 35.908 71.817 0.328 3.94 4 90.1 18.2
150 1 1 -7 35.97 71.94 0.328 3.93 4 171.6 65.6
151 3 1 6 35.971 71.942 0.328 3.93 4 231.4 119.2
152 7 1 -5 36.002 72.003 0.329 3.92 4 103.1 23.6
153 4 0 -7 36.049 72.099 0.329 3.91 2 72.1 5.8
154 5 3 1 36.316 72.633 0.331 3.85 4 21.1 1.0
155 7 1 3 36.395 72.789 0.332 3.84 4 36.4 2.9
156 8 0 2 36.412 72.824 0.332 3.83 2 198.3 42.8
157 3 1 -7 36.45 72.9 0.332 3.83 4 332.8 240.4
158 5 1 5 36.77 73.54 0.335 3.76 4 73.7 11.6
159 6 2 3 36.848 73.695 0.335 3.75 4 69.7 10.3
160 5 3 -3 37.098 74.196 0.337 3.7 4 3.5 0.0
161 4 2 -6 37.131 74.262 0.337 3.7 4 181.0 68.7
162 4 0 6 37.162 74.323 0.338 3.69 2 170.0 30.2
163 6 2 -5 37.431 74.863 0.34 3.64 4 53.0 5.8
164 1 1 7 37.678 75.356 0.342 3.6 4 107.2 23.5
165 2 0 7 37.893 75.786 0.343 3.56 2 20.0 0.4
166 8 0 -5 38.029 76.057 0.344 3.54 2 227.3 51.9
167 4 2 5 38.063 76.126 0.345 3.53 4 178.9 64.2
168 8 2 -1 38.094 76.188 0.345 3.53 4 102.0 20.8
169 5 3 2 38.127 76.254 0.345 3.52 4 56.3 6.3
170 1 3 -5 38.196 76.392 0.346 3.51 4 98.0 19.2
171 2 2 6 38.236 76.472 0.346 3.51 4 189.8 71.7
172 9 1 -1 38.245 76.489 0.346 3.5 4 25.3 1.3
173 8 2 -2 38.323 76.646 0.347 3.49 4 33.0 2.2
174 9 1 -2 38.353 76.706 0.347 3.49 4 39.2 3.0
175 0 4 0 38.655 77.309 0.349 3.44 2 617.8 372.5
176 8 2 0 38.659 77.319 0.349 3.44 4 34.4 2.3
177 3 3 4 38.822 77.643 0.35 3.42 4 231.3 103.6
178 6 0 5 38.907 77.815 0.351 3.4 2 156.0 23.5
179 9 1 0 38.929 77.858 0.351 3.4 4 94.3 17.1
180 0 4 1 39.05 78.1 0.352 3.38 4 34.3 2.3
181 5 1 -7 39.088 78.177 0.352 3.38 4 48.0 4.4
182 3 3 -5 39.145 78.29 0.353 3.37 4 264.3 133.6
183 9 1 -3 39.252 78.504 0.354 3.35 4 118.4 26.7
184 5 3 -4 39.279 78.557 0.354 3.35 4 58.2 6.4
185 8 2 -3 39.342 78.683 0.354 3.34 4 180.5 61.8
186 8 0 3 39.372 78.744 0.355 3.34 2 211.3 42.3
187 1 3 5 39.394 78.789 0.355 3.33 4 162.8 50.1
188 7 1 -6 39.546 79.091 0.356 3.31 4 188.0 66.5
189 2 4 0 39.725 79.449 0.357 3.29 4 37.2 2.6
190 6 0 -7 39.767 79.534 0.358 3.28 2 140.6 18.4
191 2 4 -1 39.879 79.759 0.358 3.27 4 0.3 0.0
192 8 2 1 40.008 80.017 0.359 3.25 4 210.0 81.4
193 7 1 4 40.021 80.043 0.359 3.25 4 241.6 107.7
194 2 0 -8 40.226 80.452 0.361 3.23 2 114.7 12.0
195 0 4 2 40.229 80.459 0.361 3.23 4 135.2 33.4
196 2 2 -7 40.255 80.51 0.361 3.22 4 84.9 13.2
197 6 2 4 40.343 80.685 0.362 3.21 4 186.4 63.4
198 2 4 1 40.354 80.709 0.362 3.21 4 31.5 1.8
199 9 1 1 40.394 80.788 0.362 3.21 4 92.9 15.7
200 5 3 3 40.693 81.386 0.364 3.17 4 58.1 6.1
201 2 4 -2 40.816 81.633 0.365 3.16 4 32.8 1.9
202 0 2 7 40.853 81.706 0.366 3.15 4 141.9 36.0
203 9 1 -4 40.927 81.854 0.366 3.15 4 187.5 62.7
204 6 2 -6 41.053 82.106 0.367 3.13 4 297.1 156.9
205 0 0 8 41.06 82.121 0.367 3.13 2 358.8 114.4
206 8 2 -4 41.134 82.268 0.368 3.12 4 34.8 2.2
207 7 3 -1 41.323 82.646 0.369 3.1 4 8.6 0.1
208 8 0 -6 41.4 82.8 0.37 3.1 2 86.6 6.6
209 3 1 7 41.483 82.967 0.37 3.09 4 64.0 7.2
210 4 0 -8 41.511 83.023 0.37 3.09 2 17.6 0.3
211 7 3 -2 41.665 83.33 0.372 3.07 4 269.0 126.1
212 5 1 6 41.71 83.419 0.372 3.07 4 28.3 1.4
213 10 0 -2 41.753 83.506 0.372 3.06 2 81.3 5.7
214 7 3 0 41.759 83.518 0.372 3.06 4 239.3 99.5
215 2 4 2 41.761 83.521 0.372 3.06 4 18.9 0.6
216 10 0 -1 41.765 83.529 0.372 3.06 2 165.5 23.8
217 4 2 -7 41.776 83.552 0.372 3.06 4 10.4 0.2
218 1 1 -8 41.789 83.578 0.373 3.06 4 118.2 24.2
219 3 1 -8 42.014 84.027 0.374 3.04 4 8.7 0.1
220 8 2 2 42.124 84.248 0.375 3.03 4 225.4 87.3
221 0 4 3 42.178 84.356 0.375 3.02 4 146.5 36.8
222 5 3 -5 42.203 84.406 0.376 3.02 4 60.0 6.2
223 1 3 -6 42.388 84.776 0.377 3.0 4 41.7 3.0
224 10 0 -3 42.518 85.035 0.378 2.99 2 203.6 35.2
225 2 4 -3 42.525 85.051 0.378 2.99 4 0.4 0.0
226 10 0 0 42.553 85.106 0.378 2.99 2 159.4 21.5
227 9 1 2 42.623 85.247 0.379 2.98 4 42.8 3.1
228 3 3 5 42.694 85.389 0.379 2.98 4 110.2 20.5
229 4 0 7 42.746 85.493 0.379 2.97 2 135.2 15.4
230 7 3 -3 42.782 85.565 0.38 2.97 4 62.4 6.6
231 4 4 -1 42.815 85.63 0.38 2.97 4 24.9 1.0
232 4 2 6 42.846 85.691 0.38 2.97 4 18.1 0.6
233 4 4 0 42.897 85.794 0.38 2.96 4 20.7 0.7
234 7 3 1 42.97 85.94 0.381 2.96 4 23.9 1.0
235 8 0 4 43.047 86.093 0.382 2.95 2 42.1 1.5
236 3 3 -6 43.082 86.164 0.382 2.95 4 93.6 14.7
237 9 1 -5 43.363 86.726 0.384 2.93 4 20.3 0.7
238 4 4 -2 43.507 87.014 0.385 2.92 4 233.2 90.0
239 2 2 7 43.554 87.107 0.385 2.91 4 7.7 0.1
240 1 1 8 43.668 87.336 0.386 2.91 4 138.4 31.6
241 8 2 -5 43.685 87.37 0.386 2.9 4 210.8 73.3
242 4 4 1 43.753 87.506 0.387 2.9 4 256.6 108.4
243 7 1 -7 43.78 87.56 0.387 2.9 4 87.1 12.5
244 1 3 6 43.796 87.591 0.387 2.9 4 96.0 15.2
245 6 0 6 43.904 87.808 0.388 2.89 2 54.4 2.4
246 2 4 3 43.933 87.866 0.388 2.89 4 55.1 5.0
247 2 0 8 43.993 87.987 0.388 2.88 2 66.6 3.6
248 5 3 4 43.998 87.996 0.388 2.88 4 200.4 65.8
249 10 0 -4 44.054 88.108 0.389 2.88 2 68.5 3.8
250 10 0 1 44.112 88.225 0.389 2.88 2 197.2 31.7
251 5 1 -8 44.339 88.678 0.391 2.86 4 1.9 0.0
252 7 1 5 44.342 88.684 0.391 2.86 4 84.3 11.6
253 6 2 5 44.542 89.084 0.392 2.85 4 336.4 183.1
254 7 3 -4 44.669 89.338 0.393 2.85 4 239.6 92.7
255 0 4 4 44.886 89.773 0.394 2.83 4 360.9 209.4
256 6 0 -8 44.888 89.776 0.394 2.83 2 84.2 5.7
257 7 3 2 44.95 89.9 0.395 2.83 4 216.6 75.4
258 4 4 -3 44.971 89.941 0.395 2.83 4 186.2 55.7
259 8 2 3 44.996 89.993 0.395 2.83 4 134.9 29.2
260 2 4 -4 44.998 89.996 0.395 2.83 4 4.8 0.0
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 4.71 9.419 10.89387 336.8 14.7 15.0 5.6
2 2 0 0 7.773 15.547 6.61319 71.2 3.1 3.2 5.6
3 0 0 2 9.452 18.903 5.44694 537.6 23.5 23.9 5.6
4 2 0 1 9.826 19.651 5.24155 79.2 3.5 3.5 5.6
5 1 1 -1 10.571 21.142 4.87557 768.4 33.6 34.1 5.6
6 2 0 -2 11.104 22.207 4.64453 23.4 1.0 1.0 5.6
7 1 1 1 11.202 22.405 4.60412 784.4 34.3 34.8 5.6
8 1 1 -2 13.161 26.321 3.92858 43.0 1.9 1.9 5.6
9 2 0 2 13.365 26.73 3.86959 24.6 1.1 1.1 5.6
10 0 0 3 14.26 28.52 3.63129 425.4 18.6 18.8 5.6
11 3 1 0 14.834 29.668 3.49374 352.3 15.4 15.5 5.6
12 3 1 -1 14.905 29.809 3.47751 567.8 24.8 25.0 5.6
13 3 1 1 16.262 32.524 3.19419 1465.3 64.1 64.4 5.6
14 3 1 -2 16.457 32.914 3.15738 1152.0 50.4 50.6 5.6
15 1 1 -3 16.796 33.592 3.09535 379.0 16.6 16.6 5.7
16 4 0 -2 16.827 33.654 3.0899 574.2 25.1 25.2 5.7
17 4 0 1 17.265 34.53 3.01373 670.3 29.3 29.4 5.7
18 2 0 3 17.58 35.16 2.96146 50.4 2.2 2.2 5.7
19 1 1 3 18.026 36.052 2.89047 352.5 15.4 15.4 5.7
20 0 2 0 18.199 36.397 2.864 1017.2 44.5 44.6 5.7
21 0 2 1 18.84 37.68 2.76988 136.7 6.0 6.0 5.7
22 3 1 2 18.886 37.771 2.76341 953.6 41.7 41.7 5.7
23 3 1 -3 19.17 38.341 2.72386 2287.2 100.0 100.0 5.7
24 4 0 -3 19.309 38.617 2.7051 282.5 12.4 12.3 5.7
25 2 2 0 19.898 39.795 2.62813 149.5 6.5 6.5 5.7
26 4 0 2 19.956 39.912 2.62077 173.5 7.6 7.6 5.7
27 2 2 -1 20.134 40.268 2.59851 114.7 5.0 5.0 5.7
28 0 2 2 20.662 41.324 2.53494 529.0 23.1 23.1 5.7
29 2 2 1 20.848 41.696 2.51329 164.2 7.2 7.2 5.7
30 1 1 -4 21.019 42.038 2.49376 33.8 1.5 1.5 5.7
31 2 2 -2 21.526 43.051 2.43778 46.4 2.0 2.0 5.7
32 5 1 -1 21.578 43.155 2.43219 32.9 1.4 1.4 5.7
33 5 1 0 21.867 43.734 2.40155 68.9 3.0 3.0 5.7
34 3 1 3 22.35 44.701 2.35218 147.0 6.4 6.4 5.7
35 1 1 4 22.382 44.764 2.34902 51.0 2.2 2.2 5.7
36 4 0 -4 22.654 45.308 2.32227 128.0 5.6 5.6 5.7
37 3 1 -4 22.698 45.396 2.31804 64.4 2.8 2.8 5.7
38 4 0 3 23.45 46.9 2.24768 387.6 16.9 16.8 5.7
39 6 0 -1 23.51 47.02 2.24227 139.0 6.1 6.0 5.7
40 6 0 -2 24.128 48.255 2.18816 87.5 3.8 3.8 5.7
41 4 2 -1 24.295 48.591 2.17397 630.3 27.6 27.3 5.7
42 4 2 0 24.404 48.809 2.16485 339.5 14.8 14.7 5.7
43 4 2 -2 25.204 50.407 2.10048 200.1 8.8 8.6 5.8
44 6 0 1 25.375 50.749 2.08726 164.5 7.2 7.1 5.8
45 4 2 1 25.521 51.042 2.07607 183.5 8.0 7.9 5.8
46 5 1 2 25.557 51.114 2.07334 23.3 1.0 1.0 5.8
47 1 1 -5 25.643 51.286 2.06687 54.0 2.4 2.3 5.8
48 6 0 -3 25.736 51.471 2.05993 161.0 7.0 6.9 5.8
49 3 1 4 26.416 52.832 2.01054 304.2 13.3 13.1 5.8
50 3 1 -5 26.811 53.621 1.98309 364.9 16.0 15.7 5.8
51 0 2 4 26.95 53.9 1.97359 814.4 35.6 35.0 5.8
52 4 2 -3 27.054 54.108 1.96657 114.0 5.0 4.9 5.8
53 2 2 -4 27.088 54.176 1.96429 428.4 18.7 18.4 5.8
54 4 2 2 27.557 55.113 1.93345 58.8 2.6 2.5 5.8
55 1 3 -1 28.572 57.144 1.87023 66.0 2.9 2.8 5.8
56 1 3 1 28.85 57.699 1.85375 105.0 4.6 4.5 5.8
57 2 0 -6 29.097 58.194 1.83937 24.5 1.1 1.0 5.8
58 2 2 4 29.336 58.673 1.82566 223.9 9.8 9.6 5.8
59 0 0 6 29.514 59.029 1.81565 27.5 1.2 1.2 5.8
60 4 2 -4 29.727 59.455 1.8038 89.5 3.9 3.8 5.8
61 7 1 -2 29.791 59.582 1.8003 295.9 12.9 12.6 5.8
62 7 1 0 29.899 59.799 1.79438 258.0 11.3 11.0 5.8
63 4 2 3 30.389 60.778 1.76818 105.0 4.6 4.5 5.8
64 6 2 -1 30.439 60.878 1.76554 80.4 3.5 3.4 5.8
65 3 3 0 30.698 61.396 1.75209 42.5 1.9 1.8 5.8
66 3 3 -1 30.738 61.476 1.75003 86.2 3.8 3.7 5.8
67 6 0 3 30.793 61.587 1.74718 215.0 9.4 9.1 5.8
68 2 2 -5 30.914 61.828 1.74103 48.2 2.1 2.0 5.8
69 6 2 -2 30.959 61.918 1.73876 286.3 12.5 12.2 5.8
70 0 2 5 31.053 62.105 1.73404 103.3 4.5 4.4 5.8
71 4 0 -6 31.102 62.204 1.73155 222.3 9.7 9.4 5.8
72 6 0 -5 31.429 62.857 1.71538 174.0 7.6 7.4 5.9
73 3 3 1 31.531 63.063 1.71036 214.3 9.4 9.1 5.9
74 3 3 -2 31.649 63.299 1.70464 135.6 5.9 5.7 5.9
75 1 3 -3 31.857 63.715 1.69467 61.2 2.7 2.6 5.9
76 6 2 1 32.023 64.047 1.68682 242.3 10.6 10.3 5.9
77 4 0 5 32.112 64.223 1.68267 150.5 6.6 6.4 5.9
78 8 0 -1 32.145 64.291 1.6811 197.9 8.7 8.4 5.9
79 1 1 6 32.197 64.394 1.67869 51.3 2.2 2.2 5.9
80 6 2 -3 32.335 64.67 1.6723 161.0 7.0 6.8 5.9
81 5 1 4 32.421 64.842 1.66835 203.6 8.9 8.6 5.9
82 1 3 3 32.636 65.271 1.65858 64.1 2.8 2.7 5.9
83 4 2 -5 33.11 66.221 1.63744 35.8 1.6 1.5 5.9
84 7 1 -4 33.158 66.315 1.63538 168.4 7.4 7.1 5.9
85 3 3 2 33.201 66.402 1.63347 216.7 9.5 9.1 5.9
86 3 3 -3 33.393 66.785 1.62519 235.7 10.3 9.9 5.9
87 7 1 2 33.463 66.927 1.62215 157.9 6.9 6.7 5.9
88 4 2 4 33.911 67.823 1.60324 33.4 1.5 1.4 5.9
89 6 2 2 34.06 68.119 1.59709 60.1 2.6 2.5 5.9
90 6 2 -4 34.512 69.025 1.57869 23.1 1.0 1.0 5.9
91 0 0 7 35.082 70.164 1.55627 123.8 5.4 5.2 5.9
92 6 0 -6 35.292 70.585 1.54818 62.8 2.7 2.6 5.9
93 3 3 3 35.649 71.299 1.53471 35.6 1.6 1.5 5.9
94 0 2 6 35.683 71.365 1.53346 121.5 5.3 5.1 5.9
95 3 1 6 35.971 71.942 1.52281 184.8 8.1 7.7 5.9
96 7 1 -5 36.002 72.003 1.52168 23.6 1.0 1.0 5.9
97 8 0 2 36.412 72.824 1.50686 45.7 2.0 1.9 6.0
98 3 1 -7 36.45 72.9 1.50552 240.4 10.5 10.0 6.0
99 4 2 -6 37.131 74.262 1.48178 68.7 3.0 2.9 6.0
100 4 0 6 37.162 74.323 1.48073 30.2 1.3 1.3 6.0
101 1 1 7 37.678 75.356 1.4634 23.5 1.0 1.0 6.0
102 8 0 -5 38.029 76.057 1.45192 51.9 2.3 2.1 6.0
103 4 2 5 38.063 76.126 1.4508 64.2 2.8 2.7 6.0
104 2 2 6 38.236 76.472 1.44524 72.9 3.2 3.0 6.0
105 0 4 0 38.655 77.309 1.432 374.8 16.4 15.5 6.0
106 3 3 4 38.822 77.643 1.4268 103.6 4.5 4.3 6.0
107 6 0 5 38.907 77.815 1.42415 40.6 1.8 1.7 6.0
108 3 3 -5 39.145 78.29 1.41689 133.6 5.8 5.5 6.0
109 9 1 -3 39.252 78.504 1.41365 33.1 1.4 1.4 6.0
110 8 2 -3 39.342 78.683 1.41095 61.8 2.7 2.5 6.0
111 1 3 5 39.394 78.789 1.40936 92.4 4.0 3.8 6.0
112 7 1 -6 39.546 79.091 1.40485 66.5 2.9 2.7 6.0
113 7 1 4 40.021 80.043 1.39091 189.1 8.3 7.8 6.0
114 2 2 -7 40.255 80.51 1.3842 58.7 2.6 2.4 6.1
115 6 2 4 40.343 80.685 1.38171 65.2 2.8 2.7 6.1
116 0 2 7 40.853 81.706 1.36743 36.0 1.6 1.5 6.1
117 9 1 -4 40.927 81.854 1.36538 62.7 2.7 2.6 6.1
118 6 2 -6 41.053 82.106 1.36193 271.2 11.9 11.1 6.1
119 7 3 -2 41.665 83.33 1.34551 126.1 5.5 5.1 6.1
120 10 0 -1 41.765 83.529 1.34288 154.0 6.7 6.3 6.1
121 8 2 2 42.124 84.248 1.33355 87.3 3.8 3.5 6.1
122 0 4 3 42.178 84.356 1.33216 43.0 1.9 1.7 6.1
123 10 0 -3 42.518 85.035 1.32352 35.2 1.5 1.4 6.1
124 4 4 -2 43.507 87.014 1.29925 90.0 3.9 3.6 6.1
125 8 2 -5 43.685 87.37 1.29501 104.8 4.6 4.2 6.2
126 4 4 1 43.753 87.506 1.29341 120.9 5.3 4.9 6.2
127 5 3 4 43.998 87.996 1.28767 69.4 3.0 2.8 6.2
128 10 0 1 44.112 88.225 1.28502 31.7 1.4 1.3 6.2
129 6 2 5 44.542 89.084 1.2752 183.1 8.0 7.3 6.2
130 7 3 -4 44.669 89.338 1.27233 92.7 4.1 3.7 6.2
131 0 4 4 44.886 89.773 1.26747 215.1 9.4 8.6 6.2
132 7 3 2 44.95 89.9 1.26607 131.0 5.7 5.2 6.2
133 8 2 3 44.996 89.993 1.26504 29.2 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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