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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AUERBAKHITE
2, syn
MnTl(2)As(2)S(5)
Orthorhombic C mca Z = 8
Cmca
26 .7 .23
Ref.Str.:
Gostojic M., Edenharter A., Nowacki W., Engel P. (1982)
* Z. Kristallogr., 158, 43-51
R: IMA 2020–047. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.34 alpha = 90.0
b = 7.608 beta = 90.0
c = 16.651 gamma = 90.0
Unit cell volume (cub. angs.) = 1943.28
Molar volume ( cub.cm/mol.) = 146.31
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.4129 0.1749 0.0 Tl = 1.00
2 0.6406 0.0 0.0 0.0 Tl = 1.00
3 0.25 0.3564 0.25 0.0 Mn = 1.00
4 0.1149 0.0336 0.1043 0.0 As = 1.00
5 0.0 0.8429 0.1155 0.0 S = 1.00
6 0.1321 0.1087 0.2345 0.0 S = 1.00
7 0.2804 0.3325 0.0986 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.4129 0.1749
2 2 0.6406 0.0 0.0
3 3 0.25 0.3564 0.25
4 4 0.1149 0.0336 0.1043
5 5 0.0 0.8429 0.1155
6 6 0.1321 0.1087 0.2345
7 7 0.2804 0.3325 0.0986
8 1 0.5 0.5871 0.6749
9 2 0.8594 0.0 0.5
10 3 0.25 0.6436 0.75
11 4 0.3851 0.9664 0.6043
12 5 0.5 0.1571 0.6155
13 6 0.3679 0.8913 0.7345
14 7 0.2196 0.6675 0.5986
15 2 0.3594 0.0 0.0
16 3 0.75 0.3564 0.25
17 4 0.8851 0.0336 0.1043
18 6 0.8679 0.1087 0.2345
19 7 0.7196 0.3325 0.0986
20 2 0.1406 0.0 0.5
21 3 0.75 0.6436 0.75
22 4 0.6149 0.9664 0.6043
23 6 0.6321 0.8913 0.7345
24 7 0.7804 0.6675 0.5986
25 1 0.5 0.4129 0.3251
26 4 0.6149 0.0336 0.3957
27 5 0.5 0.8429 0.3845
28 6 0.6321 0.1087 0.2655
29 7 0.7804 0.3325 0.4014
30 1 0.0 0.5871 0.8251
31 4 0.8851 0.9664 0.8957
32 5 0.0 0.1571 0.8845
33 6 0.8679 0.8913 0.7655
34 7 0.7196 0.6675 0.9014
35 4 0.3851 0.0336 0.3957
36 6 0.3679 0.1087 0.2655
37 7 0.2196 0.3325 0.4014
38 4 0.1149 0.9664 0.8957
39 6 0.1321 0.8913 0.7655
40 7 0.2804 0.6675 0.9014
41 1 0.0 0.9129 0.3251
42 2 0.6406 0.5 0.5
43 3 0.25 0.8564 0.25
44 4 0.1149 0.5336 0.3957
45 5 0.0 0.3429 0.3845
46 6 0.1321 0.6087 0.2655
47 7 0.2804 0.8325 0.4014
48 1 0.5 0.0871 0.8251
49 2 0.8594 0.5 0.0
50 3 0.25 0.1436 0.75
51 4 0.3851 0.4664 0.8957
52 5 0.5 0.6571 0.8845
53 6 0.3679 0.3913 0.7655
54 7 0.2196 0.1675 0.9014
55 2 0.3594 0.5 0.5
56 3 0.75 0.8564 0.25
57 4 0.8851 0.5336 0.3957
58 6 0.8679 0.6087 0.2655
59 7 0.7196 0.8325 0.4014
60 2 0.1406 0.5 0.0
61 3 0.75 0.1436 0.75
62 4 0.6149 0.4664 0.8957
63 6 0.6321 0.3913 0.7655
64 7 0.7804 0.1675 0.9014
65 1 0.5 0.9129 0.1749
66 4 0.6149 0.5336 0.1043
67 5 0.5 0.3429 0.1155
68 6 0.6321 0.6087 0.2345
69 7 0.7804 0.8325 0.0986
70 1 0.0 0.0871 0.6749
71 4 0.8851 0.4664 0.6043
72 5 0.0 0.6571 0.6155
73 6 0.8679 0.3913 0.7345
74 7 0.7196 0.1675 0.5986
75 4 0.3851 0.5336 0.1043
76 6 0.3679 0.6087 0.2345
77 7 0.2196 0.8325 0.0986
78 4 0.1149 0.4664 0.6043
79 6 0.1321 0.3913 0.7345
80 7 0.2804 0.1675 0.5986
X-ray density (g/cm cub.) = 5.29
MU (1/cm) = 1182.273 Mass attenuation coefficient (cm**2/g) = 223.571
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tl 4.104 6
3.4177 5
3.2323 6
3.2323 6
3.5304 5
2.9328 6
2.9328 6
2 Tl 4.104 6
3.2501 7
3.2501 7
3.8931 5
2.9864 7
3.8931 5
2.9864 7
3 Mn 3.276 6
2.6247 6
2.5702 7
2.6247 6
2.5702 7
2.6499 6
2.6499 6
4 As 3.012 3
2.2905 5
2.2575 6
2.2202 7
5 S 4.368 6
3.4817 6
3.4817 6
3.6769 6
3.6769 6
3.3813 7
3.3813 7
6 S 4.368 10
3.4817 5
3.6325 7
4.0528 6
3.6538 6
3.5247 7
3.6769 5
3.8389 6
3.8389 6
4.161 7
3.3672 7
7 S 4.368 9
3.6325 6
3.5247 6
4.1566 7
4.161 6
3.637 7
3.3813 5
3.3672 6
3.9167 7
3.9167 7
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 2 6.168 12.335 0.06 170.3 2 56.4 28.6
2 2 0 0 6.697 13.394 0.065 144.1 2 257.7 507.0
3 1 1 1 8.152 16.304 0.079 96.52 8 269.6 1486.0
4 2 0 2 9.124 18.247 0.089 76.62 4 321.0 836.4
5 1 1 2 9.765 19.529 0.095 66.61 8 223.0 702.0
6 1 1 3 11.995 23.99 0.116 43.42 8 81.3 60.8
7 0 0 4 12.408 24.816 0.12 40.45 2 103.0 22.7
8 3 1 1 12.562 25.125 0.122 39.41 8 75.7 47.9
9 4 0 0 13.488 26.975 0.13 33.92 2 184.4 61.1
10 0 2 0 13.6 27.199 0.131 33.33 2 1147.7 2325.2
11 3 1 2 13.684 27.368 0.132 32.89 8 183.9 235.7
12 0 2 1 13.957 27.914 0.135 31.54 4 484.2 783.3
13 2 0 4 14.151 28.302 0.137 30.63 4 486.5 767.8
14 1 1 4 14.583 29.166 0.141 28.73 8 330.1 663.0
15 4 0 2 14.88 29.759 0.144 27.52 4 911.5 2421.7
16 0 2 2 14.982 29.964 0.145 27.11 4 495.6 705.4
17 2 2 0 15.217 30.433 0.147 26.23 4 297.9 246.6
18 3 1 3 15.386 30.771 0.148 25.61 8 1123.6 6849.7
19 2 2 1 15.54 31.08 0.15 25.07 8 271.4 391.3
20 2 2 2 16.475 32.951 0.159 22.09 8 263.3 324.5
21 0 2 3 16.563 33.125 0.159 21.84 4 14.0 0.5
22 1 1 5 17.394 34.787 0.167 19.64 8 1045.7 4548.4
23 3 1 4 17.517 35.034 0.168 19.34 8 234.7 225.6
24 2 2 3 17.938 35.877 0.172 18.36 8 33.4 4.3
25 4 0 4 18.489 36.978 0.177 17.18 4 544.7 539.7
26 0 2 4 18.574 37.148 0.178 17.0 4 250.5 113.0
27 5 1 1 18.597 37.195 0.178 16.96 8 261.9 246.4
28 0 0 6 18.803 37.605 0.18 16.55 2 293.1 75.3
29 4 2 0 19.341 38.682 0.185 15.55 4 816.5 1098.1
30 5 1 2 19.403 38.806 0.186 15.44 8 53.3 9.3
31 4 2 1 19.604 39.208 0.188 15.09 8 994.4 3161.0
32 2 2 4 19.828 39.657 0.19 14.72 8 231.0 166.3
33 3 1 5 19.963 39.926 0.191 14.5 8 338.6 352.2
34 2 0 6 20.045 40.09 0.192 14.36 4 660.4 663.5
35 1 1 6 20.365 40.73 0.195 13.87 8 169.6 84.5
36 4 2 2 20.376 40.752 0.195 13.85 8 711.6 1485.4
37 6 0 0 20.478 40.957 0.196 13.7 2 613.1 272.6
38 5 1 3 20.687 41.373 0.197 13.39 8 740.4 1554.9
39 0 2 5 20.914 41.829 0.2 13.07 4 361.3 180.7
40 1 3 1 21.193 42.385 0.202 12.68 8 227.7 139.4
41 6 0 2 21.468 42.936 0.205 12.32 4 34.8 1.6
42 4 2 3 21.612 43.224 0.206 12.14 8 60.3 9.4
43 1 3 2 21.918 43.837 0.209 11.76 8 622.8 966.4
44 2 2 5 22.058 44.115 0.21 11.59 8 515.4 652.4
45 5 1 4 22.382 44.764 0.213 11.22 8 376.5 336.9
46 3 1 6 22.65 45.3 0.215 10.92 8 95.7 21.2
47 1 3 3 23.088 46.175 0.219 10.46 8 401.9 358.0
48 4 2 4 23.253 46.506 0.221 10.29 8 245.0 130.9
49 3 3 1 23.413 46.825 0.222 10.13 8 362.7 282.5
50 4 0 6 23.444 46.887 0.222 10.1 4 152.0 24.7
51 1 1 7 23.47 46.94 0.223 10.08 8 495.2 523.6
52 0 2 6 23.513 47.027 0.223 10.03 4 597.6 379.5
53 3 3 2 24.085 48.171 0.228 9.5 8 261.8 138.0
54 6 0 4 24.241 48.481 0.23 9.36 4 128.4 16.4
55 5 1 5 24.423 48.847 0.231 9.21 8 42.6 3.5
56 2 2 6 24.561 49.122 0.232 9.09 8 10.7 0.2
57 1 3 4 24.652 49.303 0.233 9.01 8 453.7 393.1
58 6 2 0 24.931 49.862 0.236 8.79 4 443.4 182.9
59 6 2 1 25.147 50.294 0.238 8.61 8 289.2 152.6
60 3 3 3 25.176 50.353 0.238 8.59 8 499.4 453.9
61 4 2 5 25.24 50.48 0.238 8.54 8 106.4 20.5
62 7 1 1 25.35 50.699 0.239 8.46 8 642.8 740.4
63 0 0 8 25.451 50.903 0.24 8.38 2 669.8 199.2
64 3 1 7 25.535 51.07 0.241 8.32 8 512.0 461.9
65 6 2 2 25.786 51.571 0.243 8.14 8 81.1 11.3
66 7 1 2 25.985 51.97 0.245 7.99 8 325.6 179.5
67 0 2 7 26.327 52.654 0.248 7.76 4 404.3 134.3
68 2 0 8 26.442 52.883 0.249 7.68 4 608.7 301.6
69 1 3 5 26.561 53.122 0.25 7.61 8 460.8 342.1
70 3 3 4 26.649 53.298 0.251 7.55 8 516.8 427.1
71 1 1 8 26.701 53.402 0.251 7.51 8 114.9 21.0
72 5 1 6 26.758 53.516 0.252 7.48 8 227.5 82.0
73 6 2 3 26.826 53.652 0.252 7.44 8 163.5 42.1
74 7 1 3 27.02 54.04 0.254 7.31 8 161.5 40.4
75 2 2 7 27.295 54.59 0.256 7.15 8 643.3 626.6
76 5 3 1 27.435 54.87 0.258 7.07 8 211.9 67.2
77 4 2 6 27.525 55.05 0.258 7.01 8 106.0 16.7
78 8 0 0 27.806 55.611 0.261 6.85 2 1575.9 901.4
79 5 3 2 28.037 56.074 0.263 6.73 8 190.6 51.8
80 0 4 0 28.052 56.104 0.263 6.72 2 77.9 2.2
81 6 2 4 28.238 56.476 0.264 6.62 8 365.3 187.0
82 0 4 1 28.251 56.502 0.265 6.61 4 42.0 1.2
83 6 0 6 28.404 56.809 0.266 6.53 4 993.3 682.4
84 7 1 4 28.425 56.851 0.266 6.52 8 206.0 58.6
85 3 3 5 28.463 56.926 0.266 6.5 8 654.1 589.0
86 3 1 8 28.597 57.194 0.268 6.43 8 208.3 59.1
87 8 0 2 28.6 57.199 0.268 6.43 4 117.1 9.3
88 1 3 6 28.773 57.545 0.269 6.34 8 97.6 12.8
89 0 4 2 28.842 57.683 0.27 6.31 4 970.0 628.7
90 2 4 0 28.981 57.962 0.271 6.24 4 212.4 29.8
91 5 3 3 29.022 58.045 0.271 6.22 8 283.7 106.1
92 2 4 1 29.175 58.351 0.273 6.15 8 445.1 258.0
93 4 0 8 29.272 58.544 0.273 6.1 4 936.2 566.4
94 0 2 8 29.332 58.664 0.274 6.07 4 437.8 123.3
95 5 1 7 29.348 58.697 0.274 6.07 8 150.5 29.1
96 2 4 2 29.755 59.509 0.277 5.88 8 33.2 1.4
97 0 4 3 29.81 59.619 0.278 5.86 4 376.2 87.8
98 6 2 5 29.989 59.977 0.279 5.78 8 519.9 330.9
99 1 1 9 30.063 60.127 0.28 5.75 8 429.7 224.7
100 4 2 7 30.072 60.143 0.28 5.74 8 99.4 12.0
101 7 1 5 30.169 60.338 0.281 5.7 8 834.8 841.6
102 2 2 8 30.236 60.471 0.281 5.67 8 240.4 69.5
103 5 3 4 30.367 60.734 0.283 5.62 8 545.5 354.2
104 3 3 6 30.584 61.169 0.284 5.53 8 194.5 44.3
105 2 4 3 30.705 61.41 0.285 5.48 8 87.0 8.8
106 8 0 4 30.903 61.805 0.287 5.4 4 96.7 5.4
107 0 4 4 31.134 62.267 0.289 5.32 4 236.0 31.4
108 1 3 7 31.255 62.509 0.29 5.27 8 322.6 116.2
109 8 2 0 31.492 62.985 0.292 5.18 4 834.3 382.2
110 4 4 0 31.664 63.328 0.293 5.12 4 1059.5 609.1
111 8 2 1 31.678 63.355 0.294 5.12 8 348.0 131.3
112 3 1 9 31.83 63.661 0.295 5.06 8 561.6 338.4
113 4 4 1 31.849 63.697 0.295 5.06 8 428.8 197.0
114 2 4 4 32.007 64.014 0.296 5.0 8 88.7 8.3
115 5 3 5 32.046 64.092 0.297 4.99 8 626.2 414.6
116 6 2 6 32.048 64.096 0.297 4.99 8 521.4 287.3
117 5 1 8 32.171 64.342 0.298 4.95 8 371.7 144.8
118 7 1 6 32.222 64.444 0.298 4.93 8 94.5 9.3
119 8 2 2 32.23 64.46 0.298 4.93 8 287.4 86.2
120 4 4 2 32.399 64.799 0.3 4.87 8 382.9 151.4
121 0 0 10 32.492 64.984 0.3 4.84 2 812.3 169.2
122 0 2 9 32.521 65.042 0.301 4.83 4 170.7 14.9
123 9 1 1 32.715 65.431 0.302 4.77 8 224.1 50.8
124 0 4 5 32.791 65.581 0.303 4.75 4 333.2 55.9
125 7 3 1 32.827 65.655 0.303 4.74 8 335.4 112.9
126 4 2 8 32.858 65.716 0.303 4.73 8 878.0 772.1
127 3 3 7 32.985 65.97 0.304 4.69 8 366.9 133.7
128 8 2 3 33.139 66.279 0.306 4.64 8 122.5 14.8
129 9 1 2 33.258 66.517 0.307 4.61 8 106.5 11.1
130 4 4 3 33.306 66.613 0.307 4.59 8 53.1 2.7
131 2 0 10 33.346 66.692 0.307 4.58 4 13.4 0.1
132 7 3 2 33.37 66.739 0.307 4.58 8 466.6 211.0
133 2 2 9 33.375 66.75 0.308 4.57 8 208.9 42.3
134 1 1 10 33.572 67.143 0.309 4.52 8 233.0 51.9
135 2 4 5 33.641 67.281 0.31 4.5 8 184.7 32.5
136 6 0 8 33.652 67.304 0.31 4.49 4 236.9 26.7
137 1 3 8 33.987 67.973 0.312 4.4 8 92.6 8.0
138 5 3 6 34.036 68.072 0.313 4.39 8 254.4 60.2
139 9 1 3 34.154 68.308 0.314 4.36 8 266.3 65.5
140 7 3 3 34.263 68.527 0.315 4.33 8 530.4 258.0
141 8 2 4 34.392 68.784 0.316 4.3 8 50.2 2.3
142 6 2 7 34.394 68.787 0.316 4.3 8 499.9 227.4
143 8 0 6 34.541 69.081 0.317 4.26 4 313.3 44.3
144 4 4 4 34.556 69.112 0.317 4.25 8 63.3 3.6
145 7 1 7 34.561 69.123 0.317 4.25 8 578.2 301.2
146 0 4 6 34.759 69.518 0.319 4.2 4 338.1 50.9
147 5 1 9 35.217 70.434 0.322 4.09 8 251.3 54.8
148 3 1 10 35.243 70.486 0.323 4.09 8 369.9 118.5
149 9 1 4 35.389 70.778 0.324 4.05 8 298.5 76.5
150 7 3 4 35.497 70.994 0.325 4.03 8 460.4 180.9
151 2 4 6 35.586 71.172 0.325 4.01 8 526.4 235.4
152 3 3 8 35.649 71.298 0.326 4.0 8 455.4 175.5
153 10 0 0 35.668 71.336 0.326 3.99 2 223.5 10.6
154 4 0 10 35.848 71.695 0.327 3.95 4 670.8 188.4
155 4 2 9 35.875 71.751 0.328 3.95 8 78.8 5.2
156 6 4 0 35.883 71.767 0.328 3.94 4 45.1 0.8
157 0 2 10 35.901 71.802 0.328 3.94 4 704.7 207.3
158 8 2 5 35.972 71.944 0.328 3.93 8 305.5 77.6
159 6 4 1 36.057 72.114 0.329 3.91 8 436.4 157.7
160 4 4 5 36.133 72.266 0.33 3.89 8 292.7 70.6
161 5 3 7 36.319 72.638 0.331 3.85 8 169.0 23.3
162 10 0 2 36.363 72.727 0.331 3.84 4 412.5 69.3
163 1 5 1 36.382 72.764 0.332 3.84 8 14.0 0.2
164 6 4 2 36.577 73.154 0.333 3.8 8 327.5 86.4
165 2 2 10 36.718 73.435 0.334 3.77 8 30.6 0.7
166 1 5 2 36.9 73.8 0.336 3.74 8 450.0 160.4
167 9 1 5 36.951 73.902 0.336 3.73 8 645.2 328.8
168 1 3 9 36.962 73.923 0.336 3.73 8 249.6 49.2
169 6 2 8 37.011 74.022 0.336 3.72 8 42.9 1.4
170 0 4 7 37.022 74.044 0.337 3.72 4 884.5 307.9
171 7 3 5 37.057 74.114 0.337 3.71 8 632.9 314.8
172 7 1 8 37.174 74.348 0.338 3.69 8 16.7 0.2
173 1 1 11 37.25 74.5 0.338 3.67 8 553.1 238.0
174 6 4 3 37.437 74.874 0.34 3.64 8 2.7 0.0
175 1 5 3 37.757 75.514 0.342 3.58 8 751.1 428.4
176 2 4 7 37.829 75.659 0.343 3.57 8 291.9 64.5
177 8 2 6 37.866 75.732 0.343 3.57 8 355.3 95.4
178 3 5 1 38.0 76.0 0.344 3.54 8 516.4 200.2
179 4 4 6 38.024 76.047 0.344 3.54 8 470.4 166.0
180 10 0 4 38.42 76.84 0.347 3.48 4 971.0 347.2
181 5 1 10 38.492 76.984 0.348 3.47 8 332.0 80.9
182 3 5 2 38.51 77.021 0.348 3.46 8 1.4 0.0
183 3 3 9 38.571 77.143 0.349 3.45 8 263.3 50.7
184 6 4 4 38.629 77.259 0.349 3.44 8 507.6 188.0
185 9 1 6 38.827 77.655 0.35 3.41 8 156.0 17.6
186 3 1 11 38.856 77.712 0.351 3.41 8 18.2 0.2
187 5 3 8 38.885 77.77 0.351 3.41 8 473.6 161.8
188 7 3 6 38.932 77.864 0.351 3.4 8 162.8 19.1
189 1 5 4 38.946 77.893 0.351 3.4 8 23.9 0.4
190 10 2 0 38.955 77.911 0.351 3.4 4 21.8 0.2
191 10 2 1 39.124 78.249 0.353 3.37 8 320.4 73.3
192 4 2 10 39.129 78.258 0.353 3.37 8 734.0 384.8
193 3 5 3 39.356 78.712 0.354 3.34 8 3.2 0.0
194 8 0 8 39.365 78.729 0.355 3.34 4 367.2 47.7
195 9 3 1 39.388 78.776 0.355 3.33 8 110.8 8.7
196 0 2 11 39.492 78.983 0.356 3.32 4 226.2 18.0
197 0 4 8 39.572 79.145 0.356 3.31 4 537.8 101.4
198 10 2 2 39.63 79.26 0.357 3.3 8 479.7 161.0
199 6 0 10 39.871 79.742 0.358 3.27 4 205.5 14.6
200 9 3 2 39.893 79.786 0.359 3.27 8 553.2 211.9
201 6 2 9 39.898 79.796 0.359 3.27 8 286.9 57.0
202 7 1 9 40.057 80.114 0.36 3.25 8 53.1 1.9
203 8 2 7 40.064 80.129 0.36 3.25 8 440.4 133.4
204 0 0 12 40.137 80.274 0.36 3.24 2 987.6 167.3
205 6 4 5 40.147 80.293 0.36 3.24 8 211.9 30.8
206 1 3 10 40.185 80.371 0.361 3.23 8 357.2 87.3
207 4 4 7 40.22 80.439 0.361 3.23 8 257.5 45.4
208 2 2 11 40.283 80.567 0.361 3.22 8 88.7 5.4
209 2 4 8 40.364 80.728 0.362 3.21 8 219.0 32.6
210 1 5 5 40.46 80.921 0.363 3.2 8 182.0 22.4
211 10 2 3 40.469 80.939 0.363 3.2 8 4.8 0.0
212 3 5 4 40.532 81.063 0.363 3.19 8 283.1 54.2
213 9 3 3 40.731 81.462 0.365 3.17 8 8.5 0.0
214 11 1 1 40.866 81.732 0.366 3.15 8 206.1 28.4
215 2 0 12 40.926 81.852 0.366 3.15 4 63.5 1.3
216 9 1 7 41.012 82.023 0.367 3.14 8 92.3 5.7
217 7 3 7 41.115 82.229 0.368 3.13 8 489.6 158.7
218 1 1 12 41.135 82.271 0.368 3.12 8 81.3 4.4
219 5 5 1 41.175 82.35 0.368 3.12 8 266.2 46.8
220 11 1 2 41.367 82.733 0.369 3.1 8 206.4 28.0
221 8 4 0 41.482 82.964 0.37 3.09 4 9.6 0.0
222 10 2 4 41.638 83.276 0.371 3.07 8 533.0 184.9
223 8 4 1 41.649 83.297 0.371 3.07 8 62.0 2.5
224 5 5 2 41.675 83.35 0.372 3.07 8 48.5 1.5
225 5 3 9 41.735 83.47 0.372 3.06 8 235.4 36.0
226 3 3 10 41.76 83.519 0.372 3.06 8 560.7 203.8
227 10 0 6 41.778 83.555 0.372 3.06 4 15.0 0.1
228 9 3 4 41.898 83.796 0.373 3.05 8 347.0 77.8
229 6 4 6 41.983 83.966 0.374 3.04 8 19.3 0.2
230 5 1 11 42.014 84.028 0.374 3.04 8 292.6 55.1
231 3 5 5 42.032 84.065 0.374 3.04 8 842.6 456.5
232 8 4 2 42.147 84.295 0.375 3.02 8 716.7 329.1
233 11 1 3 42.199 84.397 0.375 3.02 8 836.3 447.5
234 1 5 6 42.294 84.588 0.376 3.01 8 181.5 21.0
235 0 4 9 42.412 84.824 0.377 3.0 4 90.9 2.6
236 5 5 3 42.506 85.012 0.378 2.99 8 261.8 43.5
237 8 2 8 42.566 85.132 0.378 2.99 8 250.8 39.8
238 4 2 11 42.64 85.279 0.379 2.98 8 144.0 13.1
239 3 1 12 42.703 85.406 0.379 2.98 8 175.7 19.5
240 4 4 8 42.719 85.439 0.379 2.98 8 372.9 87.6
241 8 4 3 42.977 85.954 0.381 2.96 8 199.4 24.9
242 6 2 10 43.065 86.13 0.382 2.95 8 122.0 9.3
243 10 2 5 43.132 86.264 0.382 2.94 8 351.0 76.8
244 2 4 9 43.194 86.387 0.383 2.94 8 177.9 19.7
245 7 1 10 43.222 86.443 0.383 2.94 8 217.9 29.6
246 4 0 12 43.276 86.552 0.383 2.93 4 1.9 0.0
247 0 2 12 43.327 86.654 0.384 2.93 4 580.5 104.6
248 11 1 4 43.36 86.719 0.384 2.93 8 145.1 13.1
249 9 3 5 43.391 86.783 0.384 2.93 8 15.4 0.1
250 9 1 8 43.504 87.008 0.385 2.92 8 188.7 22.0
251 7 3 8 43.606 87.212 0.386 2.91 8 141.0 12.2
252 5 5 4 43.666 87.332 0.386 2.91 8 226.6 31.6
253 1 3 11 43.68 87.359 0.386 2.91 8 112.3 7.8
254 3 5 6 43.856 87.712 0.387 2.89 8 153.3 14.4
255 2 2 12 44.107 88.214 0.389 2.88 8 144.8 12.8
256 8 4 4 44.136 88.272 0.389 2.88 8 76.6 3.6
257 6 4 7 44.138 88.275 0.389 2.88 8 226.7 31.3
258 12 0 0 44.404 88.807 0.391 2.86 2 14.2 0.0
259 1 5 7 44.447 88.895 0.391 2.86 8 175.1 18.6
260 11 1 5 44.848 89.697 0.394 2.84 8 161.0 15.6
261 0 6 0 44.863 89.725 0.394 2.84 2 280.4 11.8
262 5 3 10 44.883 89.767 0.394 2.83 8 538.4 174.0
263 10 2 6 44.952 89.904 0.395 2.83 8 280.9 47.3
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 2 0 0 6.697 13.394 7.67 507.0 7.4 7.5 5.6
2 1 1 1 8.152 16.304 6.3078 1486.0 21.7 21.9 5.6
3 2 0 2 9.124 18.247 5.64103 836.4 12.2 12.3 5.6
4 1 1 2 9.765 19.529 5.27388 702.0 10.2 10.3 5.6
5 0 2 0 13.6 27.199 3.804 2325.2 33.9 34.0 5.6
6 3 1 2 13.684 27.368 3.78099 235.7 3.4 3.5 5.6
7 0 2 1 13.957 27.914 3.70846 783.3 11.4 11.5 5.6
8 2 0 4 14.151 28.302 3.65864 767.8 11.2 11.2 5.6
9 1 1 4 14.583 29.166 3.55257 663.0 9.7 9.7 5.6
10 4 0 2 14.88 29.759 3.48322 2421.7 35.4 35.4 5.6
11 0 2 2 14.982 29.964 3.45995 705.4 10.3 10.3 5.6
12 2 2 0 15.217 30.433 3.40789 246.6 3.6 3.6 5.6
13 3 1 3 15.386 30.771 3.3713 6849.7 100.0 100.0 5.6
14 2 2 1 15.54 31.08 3.33868 391.3 5.7 5.7 5.6
15 2 2 2 16.475 32.951 3.1539 324.5 4.7 4.7 5.6
16 1 1 5 17.394 34.787 2.99214 4548.4 66.4 66.2 5.7
17 3 1 4 17.517 35.034 2.97178 225.6 3.3 3.3 5.7
18 4 0 4 18.489 36.978 2.82052 539.7 7.9 7.8 5.7
19 5 1 1 18.597 37.195 2.8047 359.4 5.2 5.2 5.7
20 0 0 6 18.803 37.605 2.77517 75.3 1.1 1.1 5.7
21 4 2 0 19.341 38.682 2.70073 1098.1 16.0 15.9 5.7
22 4 2 1 19.604 39.208 2.66589 3161.0 46.1 45.8 5.7
23 2 2 4 19.828 39.657 2.63694 166.3 2.4 2.4 5.7
24 3 1 5 19.963 39.926 2.61988 352.2 5.1 5.1 5.7
25 2 0 6 20.045 40.09 2.6096 663.5 9.7 9.6 5.7
26 4 2 2 20.376 40.752 2.56894 1569.9 22.9 22.7 5.7
27 6 0 0 20.478 40.957 2.55667 272.6 4.0 3.9 5.7
28 5 1 3 20.687 41.373 2.53203 1554.9 22.7 22.5 5.7
29 0 2 5 20.914 41.829 2.50568 180.7 2.6 2.6 5.7
30 1 3 1 21.193 42.385 2.47426 139.4 2.0 2.0 5.7
31 1 3 2 21.918 43.837 2.39617 966.4 14.1 13.9 5.7
32 2 2 5 22.058 44.115 2.3818 652.4 9.5 9.4 5.7
33 5 1 4 22.382 44.764 2.34904 336.9 4.9 4.9 5.7
34 1 3 3 23.088 46.175 2.28099 358.0 5.2 5.1 5.7
35 4 2 4 23.253 46.506 2.26567 130.9 1.9 1.9 5.7
36 3 3 1 23.413 46.825 2.25107 282.5 4.1 4.1 5.7
37 1 1 7 23.47 46.94 2.24587 548.3 8.0 7.9 5.7
38 0 2 6 23.513 47.027 2.24196 379.5 5.5 5.5 5.7
39 3 3 2 24.085 48.171 2.19178 138.0 2.0 2.0 5.7
40 1 3 4 24.652 49.303 2.14448 393.1 5.7 5.6 5.7
41 6 2 0 24.931 49.862 2.12194 182.9 2.7 2.6 5.7
42 6 2 1 25.147 50.294 2.10492 152.6 2.2 2.2 5.8
43 3 3 3 25.176 50.353 2.1026 453.9 6.6 6.5 5.8
44 7 1 1 25.35 50.699 2.08917 740.4 10.8 10.6 5.8
45 0 0 8 25.451 50.903 2.08137 199.2 2.9 2.8 5.8
46 3 1 7 25.535 51.07 2.075 461.9 6.7 6.6 5.8
47 7 1 2 25.985 51.97 2.04152 179.5 2.6 2.6 5.8
48 0 2 7 26.327 52.654 2.01686 134.3 2.0 1.9 5.8
49 2 0 8 26.442 52.883 2.00873 301.6 4.4 4.3 5.8
50 1 3 5 26.561 53.122 2.00037 342.1 5.0 4.9 5.8
51 3 3 4 26.649 53.298 1.99425 427.1 6.2 6.1 5.8
52 5 1 6 26.758 53.516 1.98669 82.0 1.2 1.2 5.8
53 2 2 7 27.295 54.59 1.95055 626.6 9.1 8.9 5.8
54 8 0 0 27.806 55.611 1.9175 901.4 13.2 12.8 5.8
55 6 2 4 28.238 56.476 1.89049 188.3 2.7 2.7 5.8
56 6 0 6 28.404 56.809 1.88034 741.0 10.8 10.5 5.8
57 3 3 5 28.463 56.926 1.87678 589.0 8.6 8.4 5.8
58 0 4 2 28.842 57.683 1.85423 628.7 9.2 8.9 5.8
59 5 3 3 29.022 58.045 1.84368 106.1 1.5 1.5 5.8
60 2 4 1 29.175 58.351 1.83484 258.0 3.8 3.7 5.8
61 4 0 8 29.272 58.544 1.82932 566.4 8.3 8.0 5.8
62 0 2 8 29.332 58.664 1.82592 152.4 2.2 2.2 5.8
63 0 4 3 29.81 59.619 1.79929 87.8 1.3 1.2 5.8
64 6 2 5 29.989 59.977 1.78954 330.9 4.8 4.7 5.8
65 1 1 9 30.063 60.127 1.7855 236.8 3.5 3.3 5.8
66 7 1 5 30.169 60.338 1.77983 841.6 12.3 11.9 5.8
67 2 2 8 30.236 60.471 1.77628 69.5 1.0 1.0 5.8
68 5 3 4 30.367 60.734 1.76932 354.2 5.2 5.0 5.8
69 1 3 7 31.255 62.509 1.72395 116.2 1.7 1.6 5.8
70 8 2 0 31.492 62.985 1.71226 382.2 5.6 5.4 5.9
71 4 4 0 31.664 63.328 1.70395 740.4 10.8 10.4 5.9
72 3 1 9 31.83 63.661 1.69596 535.4 7.8 7.5 5.9
73 5 3 5 32.046 64.092 1.68574 701.9 10.2 9.9 5.9
74 5 1 8 32.171 64.342 1.6799 144.8 2.1 2.0 5.9
75 8 2 2 32.23 64.46 1.67716 95.5 1.4 1.3 5.9
76 4 4 2 32.399 64.799 1.66934 151.4 2.2 2.1 5.9
77 0 0 10 32.492 64.984 1.6651 184.2 2.7 2.6 5.9
78 7 3 1 32.827 65.655 1.64996 112.9 1.6 1.6 5.9
79 4 2 8 32.858 65.716 1.6486 772.1 11.3 10.8 5.9
80 3 3 7 32.985 65.97 1.64295 133.7 2.0 1.9 5.9
81 7 3 2 33.37 66.739 1.62618 253.3 3.7 3.5 5.9
82 7 3 3 34.263 68.527 1.58874 258.0 3.8 3.6 5.9
83 6 2 7 34.394 68.787 1.58347 229.7 3.4 3.2 5.9
84 7 1 7 34.561 69.123 1.57673 349.0 5.1 4.9 5.9
85 3 1 10 35.243 70.486 1.55006 173.3 2.5 2.4 5.9
86 9 1 4 35.389 70.778 1.5445 76.5 1.1 1.1 5.9
87 7 3 4 35.497 70.994 1.54042 180.9 2.6 2.5 5.9
88 2 4 6 35.586 71.172 1.53706 235.4 3.4 3.3 5.9
89 3 3 8 35.649 71.298 1.53471 186.1 2.7 2.6 5.9
90 4 0 10 35.848 71.695 1.52735 193.6 2.8 2.7 5.9
91 0 2 10 35.901 71.802 1.52537 207.3 3.0 2.9 5.9
92 8 2 5 35.972 71.944 1.52277 77.6 1.1 1.1 5.9
93 6 4 1 36.057 72.114 1.51966 157.7 2.3 2.2 5.9
94 4 4 5 36.133 72.266 1.51691 70.6 1.0 1.0 5.9
95 10 0 2 36.363 72.727 1.50861 69.4 1.0 1.0 6.0
96 6 4 2 36.577 73.154 1.50102 86.4 1.3 1.2 6.0
97 1 5 2 36.9 73.8 1.48973 160.4 2.3 2.2 6.0
98 9 1 5 36.951 73.902 1.48796 378.0 5.5 5.2 6.0
99 0 4 7 37.022 74.044 1.48551 309.4 4.5 4.3 6.0
100 7 3 5 37.057 74.114 1.48431 314.8 4.6 4.3 6.0
101 1 1 11 37.25 74.5 1.47772 238.0 3.5 3.3 6.0
102 1 5 3 37.757 75.514 1.46079 428.4 6.3 5.9 6.0
103 8 2 6 37.866 75.732 1.45722 95.4 1.4 1.3 6.0
104 3 5 1 38.0 76.0 1.45284 366.1 5.3 5.0 6.0
105 10 0 4 38.42 76.84 1.43938 347.2 5.1 4.8 6.0
106 5 1 10 38.492 76.984 1.43711 80.9 1.2 1.1 6.0
107 6 4 4 38.629 77.259 1.43279 188.0 2.7 2.6 6.0
108 5 3 8 38.885 77.77 1.42485 161.8 2.4 2.2 6.0
109 4 2 10 39.129 78.258 1.41737 458.1 6.7 6.3 6.0
110 0 4 8 39.572 79.145 1.40406 101.4 1.5 1.4 6.0
111 10 2 2 39.63 79.26 1.40235 161.0 2.4 2.2 6.0
112 6 2 9 39.898 79.796 1.39449 283.5 4.1 3.9 6.0
113 8 2 7 40.064 80.129 1.38967 135.4 2.0 1.8 6.0
114 0 0 12 40.137 80.274 1.38758 198.0 2.9 2.7 6.0
115 1 3 10 40.185 80.371 1.38619 87.3 1.3 1.2 6.0
116 7 3 7 41.115 82.229 1.36026 163.1 2.4 2.2 6.1
117 10 2 4 41.638 83.276 1.34623 187.4 2.7 2.5 6.1
118 3 3 10 41.76 83.519 1.34302 239.8 3.5 3.2 6.1
119 9 3 4 41.898 83.796 1.3394 77.8 1.1 1.0 6.1
120 3 5 5 42.032 84.065 1.33591 511.6 7.5 6.9 6.1
121 8 4 2 42.147 84.295 1.33294 329.1 4.8 4.4 6.1
122 11 1 3 42.199 84.397 1.33163 447.5 6.5 6.0 6.1
123 4 4 8 42.719 85.439 1.31847 107.1 1.6 1.4 6.1
124 10 2 5 43.132 86.264 1.30829 76.8 1.1 1.0 6.1
125 0 2 12 43.327 86.654 1.30357 104.6 1.5 1.4 6.1
126 5 3 10 44.883 89.767 1.26754 174.0 2.5 2.3 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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