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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PAVONITE
7, t-pavonite, analogue, at 323'K, DN
Cu(1.4)Ag(0.4)Bi(5.4)Se(9)
Monoclinic C 2/m Z = 2
R =0.037 NR =1004
3 .8 .23
Ref.Str.:
Fraunhofer Ch., Paul Th., Oeckler O. (2022)
* Dalton Transactions, doi:10.1039/D2DT01651F
L: $Ag0.8 Bi10.8 Cu2.8 Se18$
R: Structure data for this sample at all temperatures
from 323'K up to 523'K see in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.6967 alpha = 90.0
b = 4.1815 beta = 99.5
c = 15.2646 gamma = 90.0
Unit cell volume (cub. angs.) = 862.25
Molar volume ( cub.cm/mol.) = 259.68
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.244 0.0 0.6222 0.0 Bi = 1.00
2 0.4513 0.0 0.1898 0.0 Bi = 0.94, Bi = 0.0
3 0.1517 0.0 0.0625 0.0 Bi = 0.76, Ag = 0.2
4 0.244 0.0 0.6222 0.0 Bi = 1.00
5 0.4025 0.0 0.3604 0.0 Se = 1.00
6 0.794 0.0 0.1247 0.0 Se = 1.00
7 0.1383 0.0 0.4551 0.0 Se = 1.00
8 0.095 0.0 0.2297 0.0 Se = 1.00
9 0.0 0.5 0.0 0.0 Se = 1.00
10 0.0231 0.0 0.56 0.0 Cu = 0.08, Cu = 0.0
11 0.4646 0.0 0.5227 0.0 Cu = 0.24, Cu = 0.0
12 0.0 0.3278 0.5 0.0 Cu = 0.32, Cu = 0.0
13 0.5024 0.0 0.2355 0.0 Cu = 0.5 , Cu = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.244 0.0 0.6222
2 2 0.4513 0.0 0.1898
3 3 0.1517 0.0 0.0625
4 4 0.244 0.0 0.6222
5 5 0.4025 0.0 0.3604
6 6 0.794 0.0 0.1247
7 7 0.1383 0.0 0.4551
8 8 0.095 0.0 0.2297
9 9 0.0 0.5 0.0
10 10 0.0231 0.0 0.56
11 11 0.4646 0.0 0.5227
12 12 0.0 0.3278 0.5
13 13 0.5024 0.0 0.2355
14 1 0.756 0.0 0.3778
15 2 0.5487 0.0 0.8102
16 3 0.8483 0.0 0.9375
17 4 0.756 0.0 0.3778
18 5 0.5975 0.0 0.6396
19 6 0.206 0.0 0.8753
20 7 0.8617 0.0 0.5449
21 8 0.905 0.0 0.7703
22 10 0.9769 0.0 0.44
23 11 0.5354 0.0 0.4773
24 12 0.0 0.6722 0.5
25 13 0.4976 0.0 0.7645
26 1 0.744 0.5 0.6222
27 2 0.9513 0.5 0.1898
28 3 0.6517 0.5 0.0625
29 4 0.744 0.5 0.6222
30 5 0.9025 0.5 0.3604
31 6 0.294 0.5 0.1247
32 7 0.6383 0.5 0.4551
33 8 0.595 0.5 0.2297
34 9 0.5 0.0 0.0
35 10 0.5231 0.5 0.56
36 11 0.9646 0.5 0.5227
37 12 0.5 0.1722 0.5
38 13 0.0024 0.5 0.2355
39 1 0.256 0.5 0.3778
40 2 0.0487 0.5 0.8102
41 3 0.3483 0.5 0.9375
42 4 0.256 0.5 0.3778
43 5 0.0975 0.5 0.6396
44 6 0.706 0.5 0.8753
45 7 0.3617 0.5 0.5449
46 8 0.405 0.5 0.7703
47 10 0.4769 0.5 0.44
48 11 0.0354 0.5 0.4773
49 12 0.5 0.8278 0.5
50 13 0.9976 0.5 0.7645
X-ray density (g/cm cub.) = 9.42
MU (1/cm) = 1744.958 Mass attenuation coefficient (cm**2/g) = 185.316
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.756 7
2.7181 7
2.9404 5
2.9404 5
2.9983 7
2.9983 7
3.5627 8
3.5627 8
2 Bi ,Bi 3.756 6
2.793 5
3.049 6
3.049 6
2.8675 8
2.8675 8
3.0785 9
3 Bi ,Ag 3.756 6
2.7875 8
2.9909 9
2.9909 9
3.0698 6
2.9081 6
2.9081 6
4 Bi 3.756 7
2.7181 7
2.9404 5
2.9404 5
2.9983 7
2.9983 7
3.5627 8
3.5627 8
5 Se 4.632 12
4.1815 5
4.1815 5
4.1127 7
4.3521 8
4.2142 6
4.2142 6
3.9175 7
3.9175 7
4.1278 8
4.1278 8
3.6248 7
3.6248 7
6 Se 4.632 12
4.1815 6
4.1815 6
4.1707 8
4.2109 9
4.2109 9
4.2142 5
4.2142 5
3.9756 8
3.9756 8
4.1598 9
4.3359 6
4.3359 6
7 Se 4.632 11
4.1127 5
4.1815 7
4.1815 7
3.3927 8
4.2365 7
3.9175 5
3.9175 5
3.6248 5
3.6248 5
3.7725 7
3.7725 7
8 Se 4.632 11
4.3521 5
4.1707 6
3.3927 7
4.1815 8
4.1815 8
4.1055 9
4.1055 9
4.1278 5
4.1278 5
3.9756 6
3.9756 6
9 Se 4.632 12
4.2109 6
4.2109 6
4.1055 8
4.1055 8
4.1815 9
4.1815 9
4.2109 6
4.2109 6
4.1055 8
4.1055 8
4.1598 6
4.1598 6
10 Cu ,Cu 3.492 4
2.4276 7
2.1838 7
2.545 5
2.545 5
11 Cu ,Cu 3.492 6
2.4837 5
2.329 5
3.4513 7
3.4513 7
2.5746 7
2.5746 7
12 Cu ,Cu 3.492 4
2.5229 7
2.5229 7
2.4298 5
2.4298 5
13 Cu ,Cu 3.492 3
2.5233 5
2.4546 8
2.4546 8
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 0 0 1 2.933 5.865 0.033 761.03 2 184.9 7001.5
2 0 0 2 5.873 11.746 0.066 188.03 2 38.9 76.7
3 2 0 0 6.548 13.097 0.074 150.82 2 316.4 4061.0
4 2 0 -1 6.721 13.442 0.076 143.06 2 293.0 3302.9
5 2 0 1 7.613 15.225 0.086 111.01 2 434.1 5627.8
6 2 0 -2 8.053 16.106 0.091 98.97 2 125.9 422.3
7 0 0 3 8.829 17.659 0.1 81.96 2 124.1 339.6
8 2 0 2 9.515 19.031 0.107 70.26 2 360.5 2456.1
9 2 0 -3 10.105 20.211 0.114 62.05 2 386.7 2496.2
10 1 1 0 11.118 22.237 0.125 50.89 4 121.3 402.6
11 1 1 -1 11.366 22.732 0.128 48.6 4 168.1 738.7
12 1 1 1 11.648 23.297 0.131 46.17 4 196.9 963.1
13 0 0 4 11.809 23.619 0.133 44.87 2 468.4 2648.1
14 2 0 3 11.875 23.75 0.134 44.35 2 658.5 5172.8
15 1 1 -2 12.348 24.696 0.139 40.86 4 791.0 13755.6
16 2 0 -4 12.546 25.091 0.141 39.52 2 1007.4 10788.7
17 1 1 2 12.866 25.732 0.145 37.48 4 320.7 2073.8
18 4 0 -1 13.024 26.048 0.146 36.52 2 491.9 2377.2
19 4 0 0 13.184 26.368 0.148 35.59 2 382.5 1401.1
20 4 0 -2 13.537 27.073 0.152 33.66 2 265.7 639.2
21 1 1 -3 13.918 27.836 0.156 31.73 4 205.7 722.4
22 4 0 1 13.996 27.992 0.157 31.36 2 202.2 344.9
23 2 0 4 14.489 28.977 0.162 29.13 2 608.3 2899.0
24 3 1 -1 14.528 29.055 0.163 28.96 4 599.4 5598.6
25 3 1 0 14.56 29.119 0.163 28.83 4 750.6 8737.1
26 1 1 3 14.611 29.222 0.164 28.61 4 398.4 2442.8
27 4 0 -3 14.657 29.314 0.164 28.42 2 161.2 198.7
28 0 0 5 14.822 29.644 0.166 27.75 2 606.1 2742.1
29 3 1 -2 15.103 30.206 0.169 26.65 4 527.5 3990.3
30 3 1 1 15.195 30.391 0.17 26.31 4 1085.2 16666.6
31 2 0 -5 15.208 30.417 0.17 26.26 2 562.8 2237.1
32 4 0 2 15.364 30.728 0.172 25.69 2 34.9 8.4
33 1 1 -4 15.918 31.835 0.178 23.8 4 69.7 62.1
34 3 1 -3 16.227 32.454 0.181 22.83 4 560.5 3858.8
35 4 0 -4 16.27 32.541 0.182 22.7 2 413.4 1043.5
36 3 1 2 16.371 32.743 0.183 22.4 4 230.5 640.3
37 1 1 4 16.736 33.472 0.187 21.36 4 78.7 71.2
38 4 0 3 17.169 34.338 0.192 20.2 2 221.8 267.4
39 2 0 5 17.264 34.529 0.193 19.96 2 641.5 2209.1
40 3 1 -4 17.807 35.614 0.199 18.65 4 299.6 901.0
41 0 0 6 17.877 35.755 0.199 18.49 2 40.3 8.1
42 3 1 3 17.993 35.987 0.201 18.23 4 254.3 634.5
43 2 0 -6 18.019 36.038 0.201 18.18 2 218.6 233.6
44 1 1 -5 18.225 36.45 0.203 17.73 4 312.4 931.0
45 4 0 -5 18.263 36.525 0.203 17.65 2 410.7 800.6
46 1 1 5 19.134 38.269 0.213 15.92 4 910.0 7094.3
47 4 0 4 19.307 38.614 0.215 15.61 2 495.2 1029.9
48 5 1 -1 19.645 39.289 0.218 15.02 4 306.5 759.1
49 6 0 -1 19.723 39.446 0.219 14.89 2 93.3 34.8
50 3 1 -5 19.75 39.501 0.219 14.84 4 433.5 1501.0
51 5 1 0 19.843 39.685 0.22 14.69 4 47.3 17.6
52 6 0 -2 19.909 39.819 0.221 14.58 2 105.0 43.3
53 5 1 -2 19.918 39.836 0.221 14.57 4 586.1 2692.8
54 3 1 4 19.97 39.939 0.222 14.48 4 133.0 137.8
55 6 0 0 20.006 40.013 0.222 14.43 2 357.1 494.9
56 2 0 6 20.162 40.324 0.224 14.18 2 335.8 430.1
57 5 1 1 20.5 41.001 0.227 13.66 4 165.3 200.9
58 4 0 -6 20.544 41.087 0.228 13.6 2 74.0 20.0
59 6 0 -3 20.555 41.109 0.228 13.58 2 447.4 731.5
60 5 1 -3 20.647 41.293 0.229 13.45 4 637.8 2943.1
61 6 0 1 20.743 41.487 0.23 13.31 2 950.5 3234.2
62 1 1 -6 20.761 41.521 0.23 13.28 4 599.3 2566.3
63 2 0 -7 20.945 41.891 0.232 13.02 2 222.9 174.0
64 0 0 7 20.986 41.973 0.232 12.97 2 703.5 1726.4
65 5 1 2 21.584 43.167 0.239 12.17 4 491.0 1579.0
66 0 2 0 21.618 43.237 0.239 12.13 2 1450.3 6863.4
67 6 0 -4 21.625 43.25 0.239 12.12 2 844.9 2327.7
68 4 0 5 21.701 43.402 0.24 12.03 2 539.7 942.2
69 1 1 6 21.741 43.482 0.24 11.98 4 180.4 209.8
70 5 1 -4 21.794 43.587 0.241 11.91 4 814.1 4248.0
71 0 2 1 21.836 43.673 0.241 11.86 4 104.4 69.5
72 6 0 2 21.896 43.793 0.242 11.79 2 578.0 1059.4
73 3 1 -6 21.981 43.962 0.243 11.69 4 779.5 3819.8
74 3 1 5 22.226 44.453 0.246 11.4 4 264.3 428.3
75 0 2 2 22.481 44.961 0.248 11.11 4 15.0 1.3
76 2 2 0 22.685 45.371 0.25 10.88 4 298.6 522.1
77 2 2 -1 22.741 45.482 0.251 10.82 4 281.0 459.9
78 5 1 3 23.044 46.088 0.254 10.5 4 883.5 4411.0
79 2 2 1 23.049 46.098 0.254 10.5 4 399.6 901.8
80 4 0 -7 23.052 46.104 0.254 10.5 2 480.1 650.8
81 6 0 -5 23.074 46.148 0.254 10.47 2 594.5 995.9
82 2 0 7 23.166 46.331 0.255 10.38 2 67.4 12.7
83 2 2 -2 23.213 46.427 0.256 10.33 4 148.2 122.0
84 5 1 -5 23.31 46.62 0.257 10.23 4 126.6 88.2
85 6 0 3 23.417 46.834 0.258 10.13 2 108.1 31.8
86 1 1 -7 23.477 46.955 0.259 10.07 4 643.6 2243.8
87 0 2 3 23.523 47.046 0.259 10.03 4 145.7 114.5
88 2 2 2 23.817 47.633 0.262 9.75 4 340.0 606.2
89 2 0 -8 23.976 47.953 0.264 9.6 2 598.5 925.0
90 2 2 -3 24.084 48.167 0.265 9.5 4 282.4 407.9
91 0 0 8 24.161 48.323 0.266 9.43 2 305.2 236.4
92 4 0 6 24.302 48.605 0.267 9.31 2 433.0 469.6
93 3 1 -7 24.444 48.889 0.269 9.19 4 76.0 28.6
94 1 1 7 24.517 49.034 0.269 9.13 4 543.2 1448.6
95 3 1 6 24.712 49.424 0.271 8.96 4 632.2 1927.5
96 5 1 4 24.832 49.664 0.273 8.87 4 160.7 123.2
97 6 0 -6 24.851 49.701 0.273 8.85 2 236.0 132.5
98 0 2 4 24.926 49.852 0.274 8.79 4 433.5 888.5
99 2 2 3 24.961 49.921 0.274 8.76 4 520.9 1278.8
100 5 1 -6 25.146 50.292 0.276 8.62 4 241.4 270.1
101 6 0 4 25.256 50.513 0.277 8.53 2 374.7 322.1
102 2 2 -4 25.321 50.642 0.278 8.48 4 809.7 2991.0
103 4 2 -1 25.587 51.174 0.28 8.28 4 384.7 659.2
104 4 2 0 25.678 51.356 0.281 8.21 4 290.5 372.9
105 4 0 -8 25.75 51.499 0.282 8.16 2 688.7 1041.5
106 7 1 -1 25.778 51.556 0.282 8.14 4 430.4 811.6
107 7 1 -2 25.859 51.718 0.283 8.08 4 81.4 28.8
108 4 2 -2 25.88 51.76 0.283 8.07 4 276.7 332.4
109 7 1 0 26.078 52.157 0.285 7.93 4 84.6 30.5
110 4 2 1 26.149 52.299 0.286 7.88 4 135.1 77.4
111 2 0 8 26.274 52.548 0.287 7.8 2 415.2 361.5
112 7 1 -3 26.32 52.639 0.288 7.77 4 226.4 214.1
113 1 1 -8 26.351 52.701 0.288 7.74 4 224.6 210.2
114 2 2 4 26.445 52.89 0.289 7.68 4 469.4 910.5
115 4 2 -3 26.548 53.096 0.29 7.61 4 180.7 133.7
116 0 2 5 26.649 53.299 0.291 7.55 4 559.1 1269.5
117 7 1 1 26.751 53.503 0.292 7.48 4 246.4 244.3
118 8 0 -1 26.779 53.558 0.292 7.46 2 341.5 234.2
119 8 0 -2 26.79 53.58 0.293 7.46 2 88.5 15.7
120 2 2 -5 26.89 53.779 0.294 7.4 4 508.7 1029.7
121 5 1 5 26.903 53.806 0.294 7.39 4 23.7 2.2
122 6 0 -7 26.912 53.824 0.294 7.38 2 181.1 65.1
123 4 2 2 26.988 53.975 0.295 7.33 4 8.0 0.3
124 4 0 7 27.081 54.163 0.296 7.28 2 324.4 206.0
125 3 1 -8 27.107 54.213 0.296 7.26 4 49.3 9.5
126 2 0 -9 27.113 54.226 0.296 7.26 2 407.8 324.6
127 8 0 0 27.14 54.28 0.296 7.24 2 473.1 436.0
128 7 1 -4 27.146 54.291 0.296 7.24 4 18.0 1.3
129 8 0 -3 27.171 54.342 0.296 7.22 2 1040.0 2101.4
130 5 1 -7 27.259 54.518 0.297 7.17 4 356.7 490.8
131 6 0 5 27.372 54.744 0.298 7.1 2 472.2 426.0
132 3 1 7 27.393 54.787 0.299 7.09 4 462.8 816.8
133 0 0 9 27.418 54.835 0.299 7.08 2 342.5 223.3
134 1 1 8 27.445 54.89 0.299 7.06 4 172.5 113.1
135 4 2 -4 27.571 55.142 0.3 6.99 4 394.8 585.7
136 7 1 2 27.778 55.557 0.303 6.87 4 356.0 468.4
137 8 0 1 27.862 55.724 0.303 6.82 2 518.9 494.1
138 8 0 -4 27.913 55.827 0.304 6.79 2 74.8 10.2
139 4 2 3 28.17 56.341 0.306 6.65 4 230.1 189.5
140 2 2 5 28.235 56.47 0.307 6.62 4 509.7 925.1
141 7 1 -5 28.315 56.631 0.308 6.58 4 343.4 417.3
142 4 0 -9 28.616 57.233 0.311 6.42 2 14.4 0.4
143 0 2 6 28.656 57.313 0.311 6.4 4 76.2 20.0
144 2 2 -6 28.755 57.51 0.312 6.35 4 147.9 74.8
145 4 2 -5 28.925 57.851 0.314 6.27 4 399.6 538.3
146 8 0 2 28.927 57.855 0.314 6.27 2 402.8 273.4
147 8 0 -5 28.998 57.995 0.315 6.23 2 230.3 88.9
148 7 1 3 29.135 58.269 0.316 6.17 4 391.6 508.6
149 5 1 6 29.223 58.446 0.317 6.12 4 348.2 399.6
150 6 0 -8 29.223 58.447 0.317 6.12 2 512.0 431.8
151 1 1 -9 29.371 58.742 0.318 6.05 4 331.9 358.9
152 2 0 9 29.493 58.986 0.32 6.0 2 386.7 241.3
153 5 1 -8 29.617 59.233 0.321 5.94 4 91.3 26.7
154 4 2 4 29.671 59.343 0.321 5.92 4 473.9 714.9
155 6 0 6 29.732 59.464 0.322 5.89 2 105.3 17.6
156 7 1 -6 29.804 59.607 0.323 5.86 4 541.0 922.6
157 3 1 -9 29.949 59.898 0.324 5.8 4 323.2 325.8
158 6 2 -1 29.975 59.95 0.324 5.78 4 122.6 46.8
159 4 0 8 30.025 60.05 0.325 5.76 2 602.1 562.0
160 6 2 -2 30.112 60.224 0.326 5.73 4 49.4 7.5
161 6 2 0 30.184 60.368 0.326 5.7 4 352.8 381.3
162 3 1 8 30.254 60.507 0.327 5.67 4 264.1 212.6
163 2 2 6 30.299 60.598 0.327 5.65 4 252.5 193.7
164 8 0 3 30.314 60.628 0.328 5.64 2 77.2 9.0
165 2 0 -10 30.364 60.727 0.328 5.62 2 149.0 33.6
166 8 0 -6 30.402 60.803 0.328 5.6 2 107.1 17.3
167 1 1 9 30.519 61.038 0.33 5.56 4 349.5 365.2
168 4 2 -6 30.584 61.168 0.33 5.53 4 106.1 33.5
169 6 2 -3 30.592 61.185 0.33 5.53 4 351.3 366.9
170 6 2 1 30.734 61.469 0.332 5.47 4 872.9 2242.9
171 0 0 10 30.773 61.546 0.332 5.46 2 22.8 0.8
172 7 1 4 30.794 61.589 0.332 5.45 4 165.9 80.6
173 2 2 -7 30.887 61.774 0.333 5.41 4 235.6 161.6
174 0 2 7 30.918 61.836 0.334 5.4 4 578.6 972.3
175 6 2 -4 31.407 62.813 0.338 5.22 4 703.8 1389.8
176 4 2 5 31.465 62.93 0.339 5.19 4 516.7 746.1
177 7 1 -7 31.585 63.17 0.34 5.15 4 278.5 214.9
178 6 2 2 31.616 63.232 0.34 5.14 4 465.0 597.9
179 4 0 -10 31.645 63.291 0.341 5.13 2 717.9 711.2
180 6 0 -9 31.761 63.522 0.342 5.09 2 348.5 166.3
181 5 1 7 31.769 63.538 0.342 5.09 4 390.7 417.7
182 8 0 4 31.998 63.997 0.344 5.01 2 581.1 454.9
183 8 0 -7 32.102 64.205 0.345 4.97 2 350.4 164.2
184 5 1 -9 32.197 64.394 0.346 4.94 4 601.2 960.5
185 6 0 7 32.315 64.63 0.347 4.9 2 402.7 213.8
186 4 2 -7 32.523 65.046 0.349 4.83 4 387.7 390.9
187 1 1 -10 32.54 65.08 0.349 4.83 4 84.7 18.6
188 6 2 -5 32.541 65.081 0.349 4.83 4 485.3 611.8
189 9 1 -2 32.61 65.219 0.35 4.81 4 368.0 350.2
190 2 2 7 32.614 65.228 0.35 4.8 4 101.5 26.6
191 9 1 -1 32.661 65.322 0.35 4.79 4 322.0 267.2
192 7 1 5 32.734 65.468 0.351 4.77 4 194.4 97.0
193 6 2 3 32.815 65.629 0.352 4.74 4 57.9 8.6
194 2 0 10 32.837 65.674 0.352 4.73 2 102.9 13.5
195 9 1 -3 32.888 65.776 0.352 4.72 4 330.0 276.5
196 3 1 -10 32.965 65.93 0.353 4.7 4 438.0 484.7
197 9 1 0 33.041 66.083 0.354 4.67 4 169.9 72.5
198 4 0 9 33.131 66.263 0.355 4.65 2 567.0 401.7
199 2 2 -8 33.265 66.53 0.356 4.61 4 571.2 808.3
200 3 1 9 33.288 66.576 0.356 4.6 4 170.5 71.9
201 0 2 8 33.415 66.83 0.357 4.56 4 230.8 130.7
202 9 1 -4 33.492 66.984 0.358 4.54 4 118.1 34.1
203 4 2 6 33.53 67.059 0.359 4.53 4 344.2 288.7
204 7 1 -8 33.638 67.275 0.36 4.5 4 418.9 424.7
205 2 0 -11 33.744 67.488 0.361 4.47 2 320.3 123.3
206 9 1 1 33.745 67.49 0.361 4.47 4 93.9 21.2
207 1 1 10 33.746 67.491 0.361 4.47 4 477.8 548.8
208 1 3 0 33.75 67.5 0.361 4.47 4 59.4 8.5
209 1 3 -1 33.852 67.705 0.362 4.44 4 164.3 64.5
210 8 0 5 33.96 67.92 0.363 4.41 2 220.8 57.9
211 1 3 1 33.972 67.943 0.363 4.41 4 115.7 31.7
212 6 2 -6 33.979 67.957 0.363 4.4 4 251.9 150.4
213 8 0 -8 34.079 68.159 0.364 4.38 2 518.3 316.4
214 10 0 -2 34.225 68.45 0.365 4.34 2 67.7 5.4
215 0 0 11 34.25 68.499 0.365 4.33 2 349.9 142.7
216 1 3 -2 34.278 68.556 0.366 4.33 4 642.6 961.0
217 6 2 4 34.314 68.627 0.366 4.32 4 296.3 203.9
218 10 0 -1 34.334 68.669 0.366 4.31 2 5.0 0.0
219 9 1 -5 34.413 68.826 0.367 4.29 4 631.4 920.2
220 10 0 -3 34.438 68.875 0.367 4.28 2 192.8 42.9
221 6 0 -10 34.513 69.027 0.368 4.26 2 0.1 0.0
222 1 3 2 34.515 69.029 0.368 4.26 4 211.4 102.5
223 5 1 8 34.528 69.056 0.368 4.26 4 123.9 35.2
224 4 2 -8 34.724 69.448 0.37 4.21 4 576.5 753.1
225 9 1 2 34.762 69.525 0.37 4.2 4 872.6 1721.4
226 10 0 0 34.765 69.529 0.37 4.2 2 508.5 292.3
227 4 0 -11 34.841 69.682 0.371 4.18 2 357.0 143.5
228 7 1 6 34.936 69.872 0.372 4.16 4 554.4 688.0
229 10 0 -4 34.97 69.939 0.372 4.15 2 333.6 124.3
230 5 1 -10 34.99 69.981 0.372 4.15 4 401.4 359.4
231 1 3 -3 35.02 70.041 0.373 4.14 4 182.5 74.2
232 6 0 8 35.111 70.222 0.373 4.12 2 575.1 366.4
233 2 2 8 35.164 70.328 0.374 4.11 4 412.0 375.0
234 3 3 -1 35.329 70.658 0.375 4.07 4 416.6 379.8
235 3 3 0 35.345 70.691 0.376 4.06 4 530.0 614.2
236 1 3 3 35.372 70.744 0.376 4.06 4 278.7 169.6
237 10 0 1 35.51 71.02 0.377 4.03 2 284.1 87.4
238 8 2 -1 35.592 71.184 0.378 4.01 4 268.5 155.4
239 8 2 -2 35.601 71.202 0.378 4.01 4 40.6 3.5
240 3 3 -2 35.63 71.26 0.378 4.0 4 363.3 283.9
241 9 1 -6 35.64 71.279 0.378 4.0 4 354.7 270.6
242 3 3 1 35.679 71.358 0.379 3.99 4 857.8 1579.0
243 6 2 -7 35.705 71.41 0.379 3.98 4 198.8 84.7
244 10 0 -5 35.815 71.63 0.38 3.96 2 210.5 47.2
245 4 2 7 35.849 71.699 0.38 3.95 4 325.9 225.8
246 1 1 -11 35.87 71.74 0.38 3.95 4 802.3 1366.8
247 2 2 -9 35.876 71.753 0.38 3.95 4 404.5 347.3
248 8 2 0 35.899 71.799 0.381 3.94 4 385.8 315.5
249 8 2 -3 35.926 71.852 0.381 3.94 4 968.9 1987.3
250 7 1 -9 35.947 71.894 0.381 3.93 4 269.6 153.7
251 1 3 -4 36.072 72.144 0.382 3.9 4 86.2 15.6
252 9 1 3 36.082 72.164 0.382 3.9 4 178.9 67.2
253 6 2 5 36.098 72.196 0.382 3.9 4 387.3 314.6
254 0 2 9 36.137 72.274 0.383 3.89 4 272.7 155.7
255 3 1 -11 36.16 72.321 0.383 3.89 4 334.0 233.1
256 8 0 6 36.184 72.369 0.383 3.88 2 184.3 35.5
257 3 3 -3 36.245 72.489 0.384 3.87 4 394.8 324.5
258 8 0 -9 36.318 72.636 0.384 3.85 2 14.8 0.2
259 3 3 2 36.326 72.652 0.385 3.85 4 218.6 99.0
260 2 0 11 36.328 72.655 0.385 3.85 2 202.2 42.3
261 4 0 10 36.41 72.821 0.385 3.83 2 123.8 15.8
262 3 1 10 36.503 73.006 0.386 3.82 4 492.9 498.8
263 8 2 1 36.52 73.04 0.386 3.81 4 428.0 375.7
264 1 3 4 36.535 73.069 0.386 3.81 4 31.7 2.1
265 10 0 2 36.563 73.126 0.387 3.8 2 169.2 29.3
266 8 2 -4 36.564 73.128 0.387 3.8 4 27.3 1.5
267 10 0 -6 36.964 73.929 0.39 3.73 2 150.2 22.6
268 1 1 11 37.14 74.279 0.392 3.69 4 244.1 118.5
269 9 1 -7 37.161 74.322 0.392 3.69 4 467.0 433.0
270 3 3 -4 37.167 74.335 0.392 3.69 4 197.0 77.1
271 4 2 -9 37.175 74.35 0.392 3.69 4 50.1 5.0
272 2 0 -12 37.277 74.555 0.393 3.67 2 116.3 13.3
273 3 3 3 37.281 74.561 0.393 3.67 4 234.7 108.7
274 7 1 7 37.388 74.777 0.394 3.65 4 62.3 7.6
275 1 3 -5 37.422 74.845 0.394 3.64 4 207.5 84.4
276 8 2 2 37.447 74.895 0.395 3.64 4 325.1 206.9
277 6 0 -11 37.478 74.957 0.395 3.63 2 429.0 179.9
278 5 1 9 37.5 75.0 0.395 3.63 4 259.1 131.1
279 8 2 -5 37.509 75.018 0.395 3.63 4 245.3 117.4
280 9 1 4 37.693 75.386 0.397 3.6 4 197.9 75.8
281 6 2 -8 37.707 75.415 0.397 3.59 4 499.2 481.8
282 0 0 12 37.877 75.753 0.399 3.56 2 541.6 281.2
283 10 0 3 37.914 75.828 0.399 3.56 2 25.1 0.6
284 2 2 9 37.945 75.891 0.399 3.55 4 385.7 284.4
285 1 3 5 37.993 75.985 0.4 3.55 4 746.8 1063.8
286 5 1 -11 37.997 75.994 0.4 3.54 4 12.5 0.3
287 6 0 9 38.121 76.242 0.401 3.52 2 94.9 8.5
288 6 2 6 38.157 76.313 0.401 3.52 4 59.8 6.8
289 4 0 -12 38.219 76.437 0.402 3.51 2 467.9 206.7
290 5 3 -1 38.321 76.643 0.402 3.49 4 275.8 142.9
291 3 3 -5 38.39 76.781 0.403 3.48 4 379.2 269.4
292 10 0 -7 38.409 76.819 0.403 3.48 2 560.6 294.0
293 4 2 8 38.417 76.834 0.403 3.48 4 506.9 480.6
294 5 3 0 38.451 76.902 0.404 3.47 4 71.4 9.5
295 5 3 -2 38.5 77.0 0.404 3.46 4 500.1 466.1
296 7 1 -10 38.505 77.009 0.404 3.46 4 728.2 988.0
297 3 3 4 38.534 77.069 0.404 3.46 4 140.2 36.6
298 8 0 7 38.662 77.325 0.406 3.44 2 142.0 18.7
299 8 2 3 38.675 77.349 0.406 3.44 4 31.0 1.8
300 2 2 -10 38.719 77.438 0.406 3.43 4 98.0 17.7
301 8 2 -6 38.753 77.506 0.406 3.43 4 132.8 32.5
302 8 0 -10 38.81 77.621 0.407 3.42 2 366.8 123.7
303 5 3 1 38.887 77.775 0.408 3.41 4 97.1 17.3
304 9 1 -8 38.967 77.934 0.408 3.39 4 12.3 0.3
305 5 3 -3 38.986 77.972 0.408 3.39 4 539.9 531.9
306 1 3 -6 39.063 78.125 0.409 3.38 4 443.0 356.9
307 0 2 10 39.086 78.171 0.409 3.38 4 55.3 5.6
308 1 1 -12 39.382 78.765 0.412 3.34 4 75.7 10.3
309 3 1 -12 39.551 79.103 0.413 3.31 4 137.7 33.8
310 10 0 4 39.555 79.11 0.413 3.31 2 371.6 123.1
311 9 1 5 39.586 79.173 0.414 3.31 4 114.5 23.3
312 5 3 2 39.628 79.256 0.414 3.3 4 360.0 230.3
313 1 3 6 39.738 79.476 0.415 3.29 4 103.4 18.9
314 5 3 -4 39.775 79.55 0.415 3.28 4 612.0 661.6
315 4 2 -10 39.874 79.747 0.416 3.27 4 612.4 659.8
316 4 0 11 39.882 79.763 0.416 3.27 2 95.2 8.0
317 3 3 -6 39.906 79.813 0.416 3.27 4 658.2 761.5
318 3 1 11 39.915 79.831 0.417 3.27 4 408.6 293.3
319 6 2 -9 39.979 79.958 0.417 3.26 4 353.2 218.7
320 2 0 12 39.994 79.988 0.417 3.26 2 892.2 697.1
321 3 3 5 40.08 80.161 0.418 3.24 4 178.2 55.4
322 7 1 8 40.09 80.179 0.418 3.24 4 723.7 913.8
323 10 0 -8 40.142 80.284 0.418 3.24 2 211.3 38.9
324 8 2 4 40.195 80.389 0.419 3.23 4 565.5 555.9
325 11 1 -2 40.201 80.402 0.419 3.23 4 910.8 1441.6
326 8 2 -7 40.289 80.579 0.42 3.22 4 283.2 138.9
327 11 1 -3 40.346 80.691 0.42 3.21 4 284.4 139.8
328 11 1 -1 40.36 80.72 0.42 3.21 4 318.4 175.1
329 6 2 7 40.484 80.968 0.421 3.2 4 401.1 276.6
330 6 0 -12 40.667 81.333 0.423 3.18 2 403.7 139.2
331 5 3 3 40.669 81.338 0.423 3.17 4 676.3 781.3
332 5 1 10 40.695 81.39 0.423 3.17 4 460.0 361.1
333 1 1 12 40.727 81.454 0.424 3.17 4 93.9 15.0
334 11 1 -4 40.794 81.588 0.424 3.16 4 91.5 14.3
335 11 1 0 40.822 81.645 0.424 3.16 4 208.4 73.8
336 5 3 -5 40.863 81.727 0.425 3.15 4 129.8 28.6
337 2 2 10 40.963 81.926 0.426 3.14 4 58.2 5.7
338 1 3 -7 40.987 81.973 0.426 3.14 4 485.3 397.9
339 2 0 -13 40.997 81.994 0.426 3.14 2 497.0 208.6
340 9 1 -9 41.052 82.104 0.426 3.13 4 368.6 229.0
341 5 1 -12 41.23 82.459 0.428 3.11 4 203.6 69.4
342 4 2 9 41.234 82.469 0.428 3.11 4 481.0 387.5
343 7 1 -11 41.313 82.627 0.429 3.11 4 493.3 406.6
344 6 0 10 41.358 82.716 0.429 3.1 2 267.2 59.5
345 8 0 8 41.396 82.791 0.429 3.1 2 497.2 205.9
346 10 0 5 41.481 82.962 0.43 3.09 2 454.3 171.4
347 11 1 -5 41.543 83.087 0.43 3.08 4 275.1 125.5
348 8 0 -11 41.558 83.117 0.431 3.08 2 99.7 8.2
349 11 1 1 41.586 83.172 0.431 3.08 4 42.5 3.0
350 0 0 13 41.692 83.384 0.432 3.07 2 321.7 85.4
351 3 3 -7 41.71 83.421 0.432 3.07 4 91.8 13.9
352 9 1 6 41.758 83.516 0.432 3.06 4 527.4 458.1
353 1 3 7 41.765 83.531 0.432 3.06 4 473.1 368.5
354 2 2 -11 41.802 83.604 0.433 3.06 4 257.0 108.6
355 4 0 -13 41.804 83.608 0.433 3.06 2 200.7 33.1
356 3 3 6 41.914 83.828 0.434 3.05 4 481.9 380.5
357 8 2 5 42.003 84.006 0.434 3.04 4 234.9 90.2
358 5 3 4 42.006 84.011 0.434 3.04 4 89.8 13.2
359 8 2 -8 42.114 84.228 0.435 3.03 4 438.9 313.8
360 10 0 -9 42.159 84.317 0.436 3.02 2 575.7 269.6
361 5 3 -6 42.247 84.495 0.436 3.02 4 168.1 45.9
362 10 2 -2 42.25 84.5 0.436 3.02 4 94.2 14.4
363 0 2 11 42.273 84.546 0.437 3.01 4 354.8 204.1
364 10 2 -1 42.352 84.705 0.437 3.01 4 29.6 1.4
365 10 2 -3 42.449 84.898 0.438 3.0 4 142.3 32.7
366 12 0 -2 42.45 84.9 0.438 3.0 2 8.3 0.1
367 6 2 -10 42.52 85.04 0.439 2.99 4 34.1 1.9
368 12 0 -3 42.538 85.076 0.439 2.99 2 312.9 78.8
369 11 1 -6 42.592 85.184 0.439 2.99 4 454.7 332.1
370 11 1 2 42.649 85.297 0.44 2.98 4 262.0 110.1
371 12 0 -1 42.663 85.326 0.44 2.98 2 108.4 9.4
372 7 3 -1 42.74 85.48 0.441 2.97 4 327.4 171.5
373 10 2 0 42.756 85.511 0.441 2.97 4 502.7 404.2
374 7 3 -2 42.804 85.608 0.441 2.97 4 38.0 2.3
375 4 2 -11 42.828 85.656 0.441 2.97 4 361.7 208.9
376 12 0 -4 42.927 85.854 0.442 2.96 2 465.1 172.2
377 10 2 -4 42.949 85.897 0.442 2.96 4 271.2 117.1
378 7 3 0 42.977 85.954 0.443 2.96 4 102.8 16.8
379 7 1 9 43.048 86.096 0.443 2.95 4 68.6 7.5
380 6 2 8 43.082 86.164 0.443 2.95 4 560.4 498.0
381 1 1 -13 43.111 86.223 0.444 2.95 4 331.4 174.0
382 3 1 -13 43.167 86.334 0.444 2.94 4 439.7 306.0
383 7 3 -3 43.168 86.337 0.444 2.94 4 152.6 36.9
384 12 0 0 43.176 86.353 0.444 2.94 2 308.5 75.3
385 1 3 -8 43.193 86.386 0.444 2.94 4 146.4 33.9
386 9 1 -10 43.417 86.834 0.446 2.92 4 481.5 364.6
387 10 2 1 43.459 86.918 0.446 2.92 4 293.6 135.4
388 7 3 1 43.514 87.028 0.447 2.92 4 234.6 86.3
389 3 1 12 43.557 87.113 0.447 2.91 4 77.2 9.3
390 4 0 12 43.579 87.157 0.447 2.91 2 64.3 3.2
391 12 0 -5 43.616 87.231 0.448 2.91 2 9.1 0.1
392 5 3 5 43.636 87.273 0.448 2.91 4 51.5 4.2
393 10 0 6 43.691 87.382 0.448 2.9 2 247.9 48.0
394 10 2 -5 43.748 87.496 0.449 2.9 4 160.3 40.1
395 3 3 -8 43.801 87.603 0.449 2.9 4 77.3 9.3
396 7 3 -4 43.833 87.666 0.45 2.9 4 17.0 0.4
397 2 0 13 43.879 87.758 0.45 2.89 2 294.5 67.5
398 5 3 -7 43.925 87.851 0.45 2.89 4 263.7 108.1
399 11 1 -7 43.937 87.874 0.45 2.89 4 297.6 137.6
400 12 0 1 43.99 87.979 0.451 2.89 2 365.6 103.7
401 11 1 3 44.008 88.016 0.451 2.88 4 428.6 285.0
402 3 3 7 44.035 88.07 0.451 2.88 4 349.2 189.1
403 1 3 8 44.077 88.154 0.452 2.88 4 174.8 47.3
404 8 2 6 44.1 88.199 0.452 2.88 4 204.4 64.7
405 6 0 -13 44.101 88.203 0.452 2.88 2 22.2 0.4
406 5 1 11 44.137 88.273 0.452 2.88 4 189.7 55.7
407 9 1 7 44.211 88.423 0.453 2.87 4 462.9 331.1
408 8 2 -9 44.227 88.454 0.453 2.87 4 45.1 3.1
409 2 2 11 44.236 88.473 0.453 2.87 4 219.2 74.2
410 4 2 10 44.315 88.631 0.453 2.87 4 79.3 9.7
411 7 3 2 44.351 88.702 0.454 2.86 4 324.7 162.4
412 7 1 -12 44.387 88.774 0.454 2.86 4 26.1 1.0
413 8 0 9 44.396 88.793 0.454 2.86 2 471.2 170.9
414 10 0 -10 44.461 88.922 0.455 2.86 2 1.0 0.0
415 10 2 2 44.462 88.923 0.455 2.86 4 188.4 54.5
416 1 1 13 44.547 89.095 0.455 2.85 4 197.7 60.0
417 8 0 -12 44.575 89.15 0.456 2.85 2 448.9 154.5
418 12 0 -6 44.604 89.208 0.456 2.85 2 14.9 0.2
419 5 1 -13 44.714 89.428 0.457 2.84 4 249.6 95.3
420 7 3 -5 44.797 89.594 0.457 2.84 4 315.6 152.1
421 10 2 -6 44.846 89.693 0.458 2.84 4 171.6 44.9
422 6 0 11 44.849 89.697 0.458 2.84 2 158.2 19.1
423 2 0 -14 44.949 89.898 0.459 2.83 2 132.8 13.4
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 0 0 1 2.933 5.865 15.05521 7001.5 37.0 37.6 5.5
2 2 0 0 6.548 13.097 6.75441 4061.0 21.5 21.7 5.6
3 2 0 -1 6.721 13.442 6.5817 3302.9 17.5 17.7 5.6
4 2 0 1 7.613 15.225 5.81458 5627.8 29.8 30.1 5.6
5 2 0 -2 8.053 16.106 5.49866 422.3 2.2 2.3 5.6
6 0 0 3 8.829 17.659 5.0184 339.6 1.8 1.8 5.6
7 2 0 2 9.515 19.031 4.6595 2456.1 13.0 13.1 5.6
8 2 0 -3 10.105 20.211 4.39006 2496.2 13.2 13.3 5.6
9 1 1 0 11.118 22.237 3.99451 402.6 2.1 2.1 5.6
10 1 1 -1 11.366 22.732 3.9085 738.7 3.9 3.9 5.6
11 1 1 1 11.648 23.297 3.81504 963.1 5.1 5.1 5.6
12 0 0 4 11.809 23.619 3.7638 2648.1 14.0 14.1 5.6
13 2 0 3 11.875 23.75 3.7433 5172.8 27.4 27.5 5.6
14 1 1 -2 12.348 24.696 3.60204 13755.6 72.8 73.1 5.6
15 2 0 -4 12.546 25.091 3.5461 10788.7 57.1 57.3 5.6
16 1 1 2 12.866 25.732 3.45928 2073.8 11.0 11.0 5.6
17 4 0 -1 13.024 26.048 3.41801 2377.2 12.6 12.6 5.6
18 4 0 0 13.184 26.368 3.3772 1401.1 7.4 7.4 5.6
19 4 0 -2 13.537 27.073 3.29085 639.2 3.4 3.4 5.6
20 1 1 -3 13.918 27.836 3.20241 722.4 3.8 3.8 5.6
21 4 0 1 13.996 27.992 3.18494 344.9 1.8 1.8 5.6
22 2 0 4 14.489 28.977 3.07881 2899.0 15.3 15.4 5.6
23 3 1 -1 14.528 29.055 3.07071 5598.6 29.6 29.6 5.6
24 3 1 0 14.56 29.119 3.06411 8737.1 46.2 46.3 5.6
25 1 1 3 14.611 29.222 3.05354 2442.8 12.9 12.9 5.6
26 4 0 -3 14.657 29.314 3.04424 198.7 1.1 1.1 5.6
27 0 0 5 14.822 29.644 3.01104 2742.1 14.5 14.5 5.6
28 3 1 -2 15.103 30.206 2.95632 3990.3 21.1 21.1 5.6
29 3 1 1 15.195 30.391 2.93874 18903.7 100.0 100.0 5.6
30 3 1 -3 16.227 32.454 2.7565 3858.8 20.4 20.4 5.6
31 4 0 -4 16.27 32.541 2.74933 1043.5 5.5 5.5 5.6
32 3 1 2 16.371 32.743 2.73284 640.3 3.4 3.4 5.6
33 4 0 3 17.169 34.338 2.60942 267.4 1.4 1.4 5.7
34 2 0 5 17.264 34.529 2.59544 2209.1 11.7 11.6 5.7
35 3 1 -4 17.807 35.614 2.51879 901.0 4.8 4.7 5.7
36 3 1 3 17.993 35.987 2.49357 868.1 4.6 4.6 5.7
37 1 1 -5 18.225 36.45 2.46292 931.0 4.9 4.9 5.7
38 4 0 -5 18.263 36.525 2.45803 800.6 4.2 4.2 5.7
39 1 1 5 19.134 38.269 2.34995 7094.3 37.5 37.3 5.7
40 4 0 4 19.307 38.614 2.32975 1029.9 5.4 5.4 5.7
41 5 1 -1 19.645 39.289 2.29125 759.1 4.0 4.0 5.7
42 3 1 -5 19.75 39.501 2.27945 1535.8 8.1 8.1 5.7
43 5 1 -2 19.918 39.836 2.26106 2736.1 14.5 14.3 5.7
44 6 0 0 20.006 40.013 2.25147 494.9 2.6 2.6 5.7
45 2 0 6 20.162 40.324 2.2348 430.1 2.3 2.3 5.7
46 5 1 1 20.5 41.001 2.19945 200.9 1.1 1.1 5.7
47 6 0 -3 20.555 41.109 2.1939 751.5 4.0 3.9 5.7
48 5 1 -3 20.647 41.293 2.18454 2943.1 15.6 15.4 5.7
49 6 0 1 20.743 41.487 2.17482 5800.4 30.7 30.4 5.7
50 0 0 7 20.986 41.973 2.15074 1726.4 9.1 9.0 5.7
51 5 1 2 21.584 43.167 2.09396 1579.0 8.4 8.3 5.7
52 0 2 0 21.618 43.237 2.09075 9191.2 48.6 48.0 5.7
53 4 0 5 21.701 43.402 2.08316 942.2 5.0 4.9 5.7
54 1 1 6 21.741 43.482 2.07955 209.8 1.1 1.1 5.7
55 5 1 -4 21.794 43.587 2.07474 4248.0 22.5 22.2 5.7
56 6 0 2 21.896 43.793 2.06548 1059.4 5.6 5.5 5.7
57 3 1 -6 21.981 43.962 2.05794 3819.8 20.2 19.9 5.7
58 3 1 5 22.226 44.453 2.03634 428.3 2.3 2.2 5.7
59 2 2 0 22.685 45.371 1.99726 522.1 2.8 2.7 5.7
60 2 2 -1 22.741 45.482 1.99263 459.9 2.4 2.4 5.7
61 5 1 3 23.044 46.088 1.96782 5963.5 31.5 31.1 5.7
62 6 0 -5 23.074 46.148 1.96542 995.9 5.3 5.2 5.7
63 1 1 -7 23.477 46.955 1.9335 2243.8 11.9 11.7 5.7
64 2 2 2 23.817 47.633 1.90752 606.2 3.2 3.2 5.7
65 2 0 -8 23.976 47.953 1.89555 925.0 4.9 4.8 5.7
66 2 2 -3 24.084 48.167 1.88761 407.9 2.2 2.1 5.7
67 0 0 8 24.161 48.323 1.8819 236.4 1.3 1.2 5.7
68 4 0 6 24.302 48.605 1.87165 469.6 2.5 2.4 5.7
69 1 1 7 24.517 49.034 1.85626 1448.6 7.7 7.5 5.7
70 3 1 6 24.712 49.424 1.84253 1927.5 10.2 10.0 5.7
71 6 0 -6 24.851 49.701 1.83289 255.7 1.4 1.3 5.7
72 0 2 4 24.926 49.852 1.8277 888.5 4.7 4.6 5.7
73 2 2 3 24.961 49.921 1.82533 1278.8 6.8 6.6 5.7
74 5 1 -6 25.146 50.292 1.81274 270.1 1.4 1.4 5.8
75 6 0 4 25.256 50.513 1.80533 322.1 1.7 1.7 5.8
76 2 2 -4 25.321 50.642 1.80102 2991.0 15.8 15.5 5.8
77 4 2 -1 25.587 51.174 1.78354 659.2 3.5 3.4 5.8
78 4 2 0 25.678 51.356 1.77767 372.9 2.0 1.9 5.8
79 4 0 -8 25.75 51.499 1.77305 1853.1 9.8 9.6 5.8
80 4 2 -2 25.88 51.76 1.76472 361.2 1.9 1.9 5.8
81 2 0 8 26.274 52.548 1.74011 361.5 1.9 1.9 5.8
82 7 1 -3 26.32 52.639 1.7373 214.1 1.1 1.1 5.8
83 1 1 -8 26.351 52.701 1.7354 210.2 1.1 1.1 5.8
84 2 2 4 26.445 52.89 1.72964 910.5 4.8 4.7 5.8
85 0 2 5 26.649 53.299 1.71735 1269.5 6.7 6.6 5.8
86 7 1 1 26.751 53.503 1.71127 478.5 2.5 2.5 5.8
87 2 2 -5 26.89 53.779 1.70312 1097.1 5.8 5.7 5.8
88 4 0 7 27.081 54.163 1.69197 215.5 1.1 1.1 5.8
89 8 0 0 27.14 54.28 1.6886 760.6 4.0 3.9 5.8
90 8 0 -3 27.171 54.342 1.6868 2102.7 11.1 10.8 5.8
91 5 1 -7 27.259 54.518 1.68178 490.8 2.6 2.5 5.8
92 3 1 7 27.393 54.787 1.67417 1579.2 8.4 8.1 5.8
93 4 2 -4 27.571 55.142 1.66421 585.7 3.1 3.0 5.8
94 7 1 2 27.778 55.557 1.65278 468.4 2.5 2.4 5.8
95 8 0 1 27.862 55.724 1.64822 494.1 2.6 2.5 5.8
96 4 2 3 28.17 56.341 1.63162 189.5 1.0 1.0 5.8
97 2 2 5 28.235 56.47 1.62819 925.1 4.9 4.8 5.8
98 7 1 -5 28.315 56.631 1.62395 417.3 2.2 2.1 5.8
99 4 2 -5 28.925 57.851 1.59257 811.7 4.3 4.2 5.8
100 7 1 3 29.135 58.269 1.58213 508.6 2.7 2.6 5.8
101 6 0 -8 29.223 58.447 1.57775 831.4 4.4 4.3 5.8
102 1 1 -9 29.371 58.742 1.57052 358.9 1.9 1.8 5.8
103 2 0 9 29.493 58.986 1.5646 241.3 1.3 1.2 5.8
104 4 2 4 29.671 59.343 1.55604 714.9 3.8 3.7 5.8
105 7 1 -6 29.804 59.607 1.54977 922.6 4.9 4.7 5.8
106 3 1 -9 29.949 59.898 1.54295 372.6 2.0 1.9 5.8
107 4 0 8 30.025 60.05 1.5394 562.0 3.0 2.9 5.8
108 6 2 0 30.184 60.368 1.53205 381.3 2.0 2.0 5.8
109 3 1 8 30.254 60.507 1.52885 212.6 1.1 1.1 5.8
110 2 2 6 30.299 60.598 1.52677 202.8 1.1 1.0 5.8
111 1 1 9 30.519 61.038 1.51681 365.2 1.9 1.9 5.8
112 6 2 -3 30.592 61.185 1.51354 400.4 2.1 2.0 5.8
113 6 2 1 30.734 61.469 1.50723 2242.9 11.9 11.5 5.8
114 0 2 7 30.918 61.836 1.49914 972.3 5.1 5.0 5.8
115 6 2 -4 31.407 62.813 1.47816 1389.8 7.4 7.1 5.9
116 4 2 5 31.465 62.93 1.47569 746.1 3.9 3.8 5.9
117 7 1 -7 31.585 63.17 1.47067 214.9 1.1 1.1 5.9
118 6 2 2 31.616 63.232 1.46937 597.9 3.2 3.0 5.9
119 4 0 -10 31.645 63.291 1.46815 711.2 3.8 3.6 5.9
120 5 1 7 31.769 63.538 1.46304 584.0 3.1 3.0 5.9
121 8 0 4 31.998 63.997 1.45365 454.9 2.4 2.3 5.9
122 5 1 -9 32.197 64.394 1.44563 960.5 5.1 4.9 5.9
123 6 0 7 32.315 64.63 1.44093 213.8 1.1 1.1 5.9
124 6 2 -5 32.541 65.081 1.43202 1021.3 5.4 5.2 5.9
125 9 1 -2 32.61 65.219 1.42932 376.9 2.0 1.9 5.9
126 9 1 -1 32.661 65.322 1.42732 267.2 1.4 1.4 5.9
127 9 1 -3 32.888 65.776 1.41857 276.5 1.5 1.4 5.9
128 3 1 -10 32.965 65.93 1.41562 484.7 2.6 2.5 5.9
129 4 0 9 33.131 66.263 1.40932 401.7 2.1 2.0 5.9
130 2 2 -8 33.265 66.53 1.40431 880.3 4.7 4.5 5.9
131 4 2 6 33.53 67.059 1.39451 288.7 1.5 1.5 5.9
132 7 1 -8 33.638 67.275 1.39055 424.7 2.2 2.1 5.9
133 1 1 10 33.746 67.491 1.38662 701.8 3.7 3.5 5.9
134 6 2 -6 33.979 67.957 1.37825 240.0 1.3 1.2 5.9
135 8 0 -8 34.079 68.159 1.37467 316.4 1.7 1.6 5.9
136 1 3 -2 34.278 68.556 1.36767 1109.1 5.9 5.6 5.9
137 6 2 4 34.314 68.627 1.36642 203.9 1.1 1.0 5.9
138 9 1 -5 34.413 68.826 1.36296 963.0 5.1 4.9 5.9
139 4 2 -8 34.724 69.448 1.35226 753.1 4.0 3.8 5.9
140 9 1 2 34.762 69.525 1.35095 2013.7 10.7 10.1 5.9
141 7 1 6 34.936 69.872 1.34509 688.0 3.6 3.5 5.9
142 5 1 -10 34.99 69.981 1.34326 483.7 2.6 2.4 5.9
143 6 0 8 35.111 70.222 1.33924 366.4 1.9 1.8 5.9
144 2 2 8 35.164 70.328 1.33748 375.0 2.0 1.9 5.9
145 3 3 0 35.345 70.691 1.3315 1163.6 6.2 5.9 5.9
146 3 3 -2 35.63 71.26 1.32227 554.5 2.9 2.8 5.9
147 3 3 1 35.679 71.358 1.32068 1663.7 8.8 8.4 5.9
148 2 2 -9 35.876 71.753 1.31439 1939.9 10.3 9.7 5.9
149 8 2 -3 35.926 71.852 1.31281 2456.5 13.0 12.3 5.9
150 6 2 5 36.098 72.196 1.3074 397.4 2.1 2.0 5.9
151 3 1 -11 36.16 72.321 1.30545 424.3 2.2 2.1 5.9
152 3 3 -3 36.245 72.489 1.30283 324.5 1.7 1.6 5.9
153 3 1 10 36.503 73.006 1.29489 874.6 4.6 4.4 6.0
154 9 1 -7 37.161 74.322 1.27518 633.5 3.4 3.2 6.0
155 8 2 2 37.447 74.895 1.26684 291.3 1.5 1.5 6.0
156 6 0 -11 37.478 74.957 1.26594 311.0 1.6 1.6 6.0
157 6 2 -8 37.707 75.415 1.25939 557.5 2.9 2.8 6.0
158 0 0 12 37.877 75.753 1.2546 281.2 1.5 1.4 6.0
159 2 2 9 37.945 75.891 1.25267 284.4 1.5 1.4 6.0
160 1 3 5 37.993 75.985 1.25135 1064.1 5.6 5.3 6.0
161 4 0 -12 38.219 76.437 1.24507 206.7 1.1 1.0 6.0
162 4 2 8 38.417 76.834 1.23963 1044.0 5.5 5.2 6.0
163 7 1 -10 38.505 77.009 1.23724 1490.6 7.9 7.4 6.0
164 5 3 -3 38.986 77.972 1.22436 531.9 2.8 2.6 6.0
165 1 3 -6 39.063 78.125 1.22234 362.5 1.9 1.8 6.0
166 5 3 2 39.628 79.256 1.20771 230.3 1.2 1.1 6.0
167 5 3 -4 39.775 79.55 1.20399 661.6 3.5 3.3 6.0
168 4 2 -10 39.874 79.747 1.2015 667.8 3.5 3.3 6.0
169 3 3 -6 39.906 79.813 1.20068 1054.8 5.6 5.2 6.0
170 2 0 12 39.994 79.988 1.19849 915.8 4.8 4.5 6.0
171 7 1 8 40.09 80.179 1.19611 969.3 5.1 4.8 6.0
172 11 1 -2 40.201 80.402 1.19337 1997.6 10.6 9.8 6.0
173 11 1 -1 40.36 80.72 1.18946 314.9 1.7 1.6 6.1
174 6 2 7 40.484 80.968 1.18645 276.6 1.5 1.4 6.1
175 5 1 10 40.695 81.39 1.18135 1281.7 6.8 6.3 6.1
176 1 3 -7 40.987 81.973 1.17442 612.2 3.2 3.0 6.1
177 9 1 -9 41.052 82.104 1.17287 229.0 1.2 1.1 6.1
178 4 2 9 41.234 82.469 1.16862 457.0 2.4 2.2 6.1
179 7 1 -11 41.313 82.627 1.16678 406.6 2.2 2.0 6.1
180 8 0 8 41.396 82.791 1.16487 205.9 1.1 1.0 6.1
181 9 1 6 41.758 83.516 1.1566 826.6 4.4 4.0 6.1
182 3 3 6 41.914 83.828 1.15309 380.5 2.0 1.9 6.1
183 8 2 -8 42.114 84.228 1.14863 313.8 1.7 1.5 6.1
184 10 0 -9 42.159 84.317 1.14764 269.6 1.4 1.3 6.1
185 0 2 11 42.273 84.546 1.14511 264.4 1.4 1.3 6.1
186 11 1 -6 42.592 85.184 1.13817 332.1 1.8 1.6 6.1
187 10 2 0 42.756 85.511 1.13464 575.7 3.0 2.8 6.1
188 4 2 -11 42.828 85.656 1.1331 211.2 1.1 1.0 6.1
189 12 0 -4 42.927 85.854 1.131 289.3 1.5 1.4 6.1
190 6 2 8 43.082 86.164 1.12772 672.0 3.6 3.3 6.1
191 3 1 -13 43.167 86.334 1.12593 452.1 2.4 2.2 6.1
192 9 1 -10 43.417 86.834 1.12073 364.6 1.9 1.8 6.1
193 11 1 -7 43.937 87.874 1.11012 245.7 1.3 1.2 6.2
194 11 1 3 44.008 88.016 1.1087 577.8 3.1 2.8 6.2
195 9 1 7 44.211 88.423 1.10465 408.4 2.2 2.0 6.2
196 8 0 -12 44.575 89.15 1.09752 214.5 1.1 1.0 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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