Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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
1
MnTl(2)As(2)S(5)
Orthorhombic C mca Z = 8
R =0.0723 NR =307
26 .7 .23
Ref.Str.:
A.V. Kasatkin, E. Makovicky, J. Plasil, R. Skoda, N.V. Chukanov,
S.Y. Stepanov, A.A. Agakhanov, R.S. Palamarchuk (2021)
* Journal of Geosciences, 66, 89-96, DOI:10.3190/jgeosci.321
L: $Mn1.04 Tl0.97 Pb0.02 As1.95 S5.02$
R: IMA 2020–047. Locality - Vorontsovskoe gold deposit, Sverdlovsk Oblast,
Northern Urals, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.328 alpha = 90.0
b = 7.662 beta = 90.0
c = 16.633 gamma = 90.0
Unit cell volume (cub. angs.) = 1953.43
Molar volume ( cub.cm/mol.) = 147.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.4126 0.1745 0.0 Tl = 1.00
2 0.6431 0.0 0.0 0.0 Tl = 1.00
3 0.25 0.3564 0.25 0.0 Mn = 1.00
4 0.1161 0.0348 0.104 0.0 As = 1.00
5 0.0 0.845 0.1157 0.0 S = 1.00
6 0.1331 0.1097 0.2336 0.0 S = 1.00
7 0.2807 0.3304 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 0.4126 0.1745
2 2 0.6431 0.0 0.0
3 3 0.25 0.3564 0.25
4 4 0.1161 0.0348 0.104
5 5 0.0 0.845 0.1157
6 6 0.1331 0.1097 0.2336
7 7 0.2807 0.3304 0.0986
8 1 0.5 0.5874 0.6745
9 2 0.8569 0.0 0.5
10 3 0.25 0.6436 0.75
11 4 0.3839 0.9652 0.604
12 5 0.5 0.155 0.6157
13 6 0.3669 0.8903 0.7336
14 7 0.2193 0.6696 0.5986
15 2 0.3569 0.0 0.0
16 3 0.75 0.3564 0.25
17 4 0.8839 0.0348 0.104
18 6 0.8669 0.1097 0.2336
19 7 0.7193 0.3304 0.0986
20 2 0.1431 0.0 0.5
21 3 0.75 0.6436 0.75
22 4 0.6161 0.9652 0.604
23 6 0.6331 0.8903 0.7336
24 7 0.7807 0.6696 0.5986
25 1 0.5 0.4126 0.3255
26 4 0.6161 0.0348 0.396
27 5 0.5 0.845 0.3843
28 6 0.6331 0.1097 0.2664
29 7 0.7807 0.3304 0.4014
30 1 0.0 0.5874 0.8255
31 4 0.8839 0.9652 0.896
32 5 0.0 0.155 0.8843
33 6 0.8669 0.8903 0.7664
34 7 0.7193 0.6696 0.9014
35 4 0.3839 0.0348 0.396
36 6 0.3669 0.1097 0.2664
37 7 0.2193 0.3304 0.4014
38 4 0.1161 0.9652 0.896
39 6 0.1331 0.8903 0.7664
40 7 0.2807 0.6696 0.9014
41 1 0.0 0.9126 0.3255
42 2 0.6431 0.5 0.5
43 3 0.25 0.8564 0.25
44 4 0.1161 0.5348 0.396
45 5 0.0 0.345 0.3843
46 6 0.1331 0.6097 0.2664
47 7 0.2807 0.8304 0.4014
48 1 0.5 0.0874 0.8255
49 2 0.8569 0.5 0.0
50 3 0.25 0.1436 0.75
51 4 0.3839 0.4652 0.896
52 5 0.5 0.655 0.8843
53 6 0.3669 0.3903 0.7664
54 7 0.2193 0.1696 0.9014
55 2 0.3569 0.5 0.5
56 3 0.75 0.8564 0.25
57 4 0.8839 0.5348 0.396
58 6 0.8669 0.6097 0.2664
59 7 0.7193 0.8304 0.4014
60 2 0.1431 0.5 0.0
61 3 0.75 0.1436 0.75
62 4 0.6161 0.4652 0.896
63 6 0.6331 0.3903 0.7664
64 7 0.7807 0.1696 0.9014
65 1 0.5 0.9126 0.1745
66 4 0.6161 0.5348 0.104
67 5 0.5 0.345 0.1157
68 6 0.6331 0.6097 0.2336
69 7 0.7807 0.8304 0.0986
70 1 0.0 0.0874 0.6745
71 4 0.8839 0.4652 0.604
72 5 0.0 0.655 0.6157
73 6 0.8669 0.3903 0.7336
74 7 0.7193 0.1696 0.5986
75 4 0.3839 0.5348 0.104
76 6 0.3669 0.6097 0.2336
77 7 0.2193 0.8304 0.0986
78 4 0.1161 0.4652 0.604
79 6 0.1331 0.3903 0.7336
80 7 0.2807 0.1696 0.5986
X-ray density (g/cm cub.) = 5.26
MU (1/cm) = 1176.131 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
3.4546 5
3.2424 6
3.2424 6
3.527 5
2.9626 6
2.9626 6
2 Tl 4.104 6
3.2346 7
3.2346 7
3.9373 5
2.971 7
3.9373 5
2.971 7
3 Mn 3.276 6
2.6188 6
2.5696 7
2.6188 6
2.5696 7
2.6555 6
2.6555 6
4 As 3.012 3
2.3064 5
2.2459 6
2.2278 7
5 S 4.368 6
3.4816 6
3.4816 6
3.7008 6
3.7008 6
3.3753 7
3.3753 7
6 S 4.368 10
3.4816 5
3.6083 7
4.0803 6
3.625 6
3.5207 7
3.7008 5
3.8697 6
3.8697 6
4.1819 7
3.3716 7
7 S 4.368 9
3.6083 6
3.5207 6
4.1849 7
4.1819 6
3.628 7
3.3753 5
3.3716 6
3.9449 7
3.9449 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 6.174 12.348 0.06 169.93 2 60.7 32.9
2 2 0 0 6.702 13.404 0.065 143.87 2 228.0 392.0
3 1 1 1 8.115 16.23 0.079 97.43 8 263.5 1418.2
4 2 0 2 9.132 18.264 0.089 76.47 4 337.0 910.2
5 1 1 2 9.737 19.473 0.095 67.01 8 228.0 730.4
6 1 1 3 11.976 23.953 0.116 43.57 8 73.3 49.1
7 0 0 4 12.422 24.843 0.12 40.35 2 97.7 20.2
8 3 1 1 12.543 25.087 0.121 39.53 8 81.7 55.3
9 4 0 0 13.498 26.997 0.13 33.86 2 172.4 52.8
10 0 2 0 13.502 27.004 0.131 33.84 2 1139.2 2301.9
11 3 1 2 13.669 27.338 0.132 32.97 8 182.5 230.2
12 0 2 1 13.862 27.725 0.134 32.0 4 480.2 773.5
13 2 0 4 14.166 28.331 0.137 30.56 4 505.9 819.9
14 1 1 4 14.572 29.145 0.141 28.77 8 330.3 658.0
15 4 0 2 14.892 29.785 0.144 27.47 4 898.7 2325.1
16 0 2 2 14.896 29.791 0.144 27.45 4 500.3 720.4
17 2 2 0 15.131 30.262 0.146 26.55 4 278.1 215.3
18 3 1 3 15.376 30.751 0.148 25.65 8 1139.1 6976.6
19 2 2 1 15.456 30.913 0.149 25.36 8 278.2 411.4
20 2 2 2 16.398 32.797 0.158 22.32 8 278.7 363.6
21 0 2 3 16.487 32.974 0.159 22.06 4 8.9 0.2
22 1 1 5 17.39 34.781 0.167 19.64 8 1030.9 4376.4
23 3 1 4 17.512 35.024 0.168 19.35 8 232.6 219.4
24 2 2 3 17.87 35.74 0.172 18.51 8 27.5 2.9
25 4 0 4 18.507 37.014 0.177 17.14 4 530.5 505.6
26 0 2 4 18.51 37.019 0.177 17.13 4 251.7 113.8
27 5 1 1 18.592 37.184 0.178 16.97 8 299.8 319.7
28 0 0 6 18.824 37.647 0.18 16.51 2 296.2 75.9
29 4 2 0 19.278 38.555 0.185 15.66 4 802.7 1057.9
30 5 1 2 19.4 38.799 0.186 15.45 8 54.1 9.5
31 4 2 1 19.542 39.084 0.187 15.2 8 998.3 3175.5
32 2 2 4 19.769 39.539 0.189 14.81 8 249.5 193.4
33 3 1 5 19.964 39.928 0.191 14.49 8 357.4 388.2
34 2 0 6 20.067 40.134 0.192 14.33 4 651.4 637.3
35 4 2 2 20.318 40.635 0.194 13.94 8 699.9 1431.6
36 1 1 6 20.368 40.737 0.195 13.86 8 167.5 81.5
37 6 0 0 20.495 40.99 0.196 13.67 2 681.1 332.4
38 5 1 3 20.686 41.373 0.197 13.39 8 693.1 1348.5
39 0 2 5 20.861 41.722 0.199 13.14 4 365.9 184.4
40 1 3 1 21.045 42.09 0.201 12.89 8 224.5 136.1
41 6 0 2 21.486 42.972 0.205 12.3 4 76.5 7.6
42 4 2 3 21.559 43.118 0.205 12.21 8 51.3 6.7
43 1 3 2 21.776 43.552 0.207 11.93 8 627.8 986.1
44 2 2 5 22.008 44.017 0.209 11.65 8 519.6 659.6
45 5 1 4 22.385 44.77 0.213 11.22 8 377.9 335.9
46 3 1 6 22.657 45.313 0.215 10.91 8 89.7 18.4
47 1 3 3 22.953 45.907 0.218 10.6 8 394.1 345.2
48 4 2 4 23.206 46.412 0.22 10.34 8 231.8 116.4
49 3 3 1 23.279 46.558 0.221 10.27 8 375.4 303.2
50 4 0 6 23.468 46.936 0.223 10.08 4 170.6 30.8
51 0 2 6 23.47 46.94 0.223 10.08 4 600.5 381.0
52 1 1 7 23.479 46.958 0.223 10.07 8 500.2 528.2
53 3 3 2 23.956 47.913 0.227 9.62 8 247.0 123.0
54 6 0 4 24.263 48.526 0.23 9.35 4 152.6 22.8
55 5 1 5 24.431 48.861 0.231 9.2 8 0.1 0.0
56 2 2 6 24.521 49.041 0.232 9.12 8 6.2 0.1
57 1 3 4 24.527 49.054 0.232 9.12 8 450.7 388.3
58 6 2 0 24.887 49.775 0.235 8.82 4 501.3 232.3
59 3 3 3 25.054 50.108 0.237 8.69 8 506.2 466.7
60 6 2 1 25.104 50.207 0.237 8.65 8 282.5 144.7
61 4 2 5 25.2 50.401 0.238 8.57 8 113.3 23.1
62 7 1 1 25.355 50.71 0.239 8.45 8 628.1 699.3
63 0 0 8 25.481 50.962 0.24 8.36 2 665.0 193.8
64 3 1 7 25.547 51.094 0.241 8.31 8 524.2 478.7
65 6 2 2 25.745 51.489 0.243 8.17 8 126.3 27.3
66 7 1 2 25.992 51.983 0.245 7.99 8 335.3 188.4
67 0 2 7 26.293 52.586 0.248 7.78 4 406.9 135.1
68 1 3 5 26.447 52.894 0.249 7.68 8 450.5 326.8
69 2 0 8 26.472 52.944 0.249 7.66 4 623.0 311.8
70 3 3 4 26.534 53.069 0.25 7.62 8 521.1 434.0
71 1 1 8 26.716 53.432 0.251 7.51 8 114.6 20.7
72 5 1 6 26.77 53.54 0.252 7.47 8 224.8 79.2
73 6 2 3 26.789 53.577 0.252 7.46 8 169.9 45.1
74 7 1 3 27.029 54.057 0.254 7.31 8 173.8 46.3
75 2 2 7 27.263 54.526 0.256 7.17 8 637.8 611.1
76 5 3 1 27.322 54.645 0.257 7.13 8 242.1 87.7
77 4 2 6 27.493 54.985 0.258 7.03 8 120.1 21.3
78 8 0 0 27.829 55.658 0.261 6.84 2 1532.8 842.2
79 0 4 0 27.837 55.674 0.261 6.84 2 68.6 1.7
80 5 3 2 27.927 55.855 0.262 6.79 8 192.0 52.4
81 0 4 1 28.037 56.074 0.263 6.73 4 45.8 1.5
82 6 2 4 28.205 56.409 0.264 6.63 8 386.9 208.2
83 3 3 5 28.358 56.715 0.266 6.55 8 671.7 620.0
84 6 0 6 28.433 56.866 0.266 6.51 4 1018.6 708.6
85 7 1 4 28.437 56.874 0.266 6.51 8 204.9 57.3
86 3 1 8 28.614 57.229 0.268 6.42 8 217.2 63.5
87 8 0 2 28.624 57.249 0.268 6.42 4 156.8 16.5
88 0 4 2 28.632 57.264 0.268 6.41 4 975.1 639.2
89 1 3 6 28.67 57.339 0.268 6.39 8 93.7 11.8
90 2 4 0 28.772 57.544 0.269 6.34 4 243.8 39.5
91 5 3 3 28.917 57.834 0.27 6.27 8 237.3 74.0
92 2 4 1 28.968 57.936 0.271 6.25 8 450.0 265.2
93 4 0 8 29.305 58.609 0.274 6.09 4 908.7 526.7
94 0 2 8 29.307 58.613 0.274 6.08 4 434.4 120.4
95 5 1 7 29.365 58.73 0.274 6.06 8 109.7 15.3
96 2 4 2 29.551 59.101 0.276 5.97 8 53.4 3.6
97 0 4 3 29.607 59.213 0.276 5.95 4 386.3 93.0
98 6 2 5 29.96 59.92 0.279 5.79 8 527.9 338.3
99 4 2 7 30.046 60.092 0.28 5.75 8 100.1 12.1
100 1 1 9 30.084 60.169 0.28 5.74 8 437.3 230.0
101 7 1 5 30.184 60.368 0.281 5.7 8 849.8 862.3
102 2 2 8 30.212 60.424 0.281 5.68 8 253.1 76.3
103 5 3 4 30.268 60.535 0.282 5.66 8 544.6 351.9
104 3 3 6 30.488 60.976 0.284 5.57 8 194.3 44.1
105 2 4 3 30.507 61.014 0.284 5.56 8 76.1 6.8
106 8 0 4 30.931 61.863 0.287 5.39 4 36.1 0.7
107 0 4 4 30.939 61.877 0.287 5.39 4 245.0 33.9
108 1 3 7 31.162 62.324 0.289 5.31 8 316.0 111.1
109 8 2 0 31.464 62.929 0.292 5.19 4 794.3 343.5
110 4 4 0 31.47 62.94 0.292 5.19 4 1042.2 591.2
111 8 2 1 31.65 63.3 0.293 5.13 8 345.2 128.1
112 4 4 1 31.656 63.311 0.293 5.13 8 429.4 198.2
113 2 4 4 31.817 63.633 0.295 5.07 8 90.6 8.7
114 3 1 9 31.853 63.707 0.295 5.06 8 568.2 342.3
115 5 3 5 31.953 63.907 0.296 5.02 8 582.7 357.4
116 6 2 6 32.025 64.05 0.296 5.0 8 546.8 313.3
117 5 1 8 32.193 64.385 0.298 4.94 8 377.7 147.8
118 8 2 2 32.204 64.408 0.298 4.94 8 248.9 64.1
119 4 4 2 32.209 64.418 0.298 4.94 8 368.4 140.4
120 7 1 6 32.24 64.481 0.298 4.93 8 91.0 8.5
121 0 2 9 32.504 65.008 0.3 4.84 4 151.5 11.6
122 0 0 10 32.531 65.063 0.301 4.83 2 809.1 165.7
123 0 4 5 32.605 65.209 0.301 4.81 4 334.6 56.4
124 9 1 1 32.731 65.461 0.302 4.77 8 285.2 81.3
125 7 3 1 32.734 65.469 0.302 4.77 8 326.7 106.7
126 4 2 8 32.84 65.679 0.303 4.73 8 854.7 724.9
127 3 3 7 32.898 65.796 0.304 4.72 8 377.1 140.6
128 8 2 3 33.116 66.231 0.305 4.65 8 132.3 17.1
129 4 4 3 33.121 66.242 0.305 4.65 8 69.1 4.7
130 9 1 2 33.275 66.55 0.307 4.6 8 108.3 11.3
131 7 3 2 33.278 66.557 0.307 4.6 8 474.1 216.9
132 2 2 9 33.359 66.719 0.307 4.58 8 201.9 39.1
133 2 0 10 33.386 66.773 0.308 4.57 4 44.1 0.9
134 2 4 5 33.459 66.917 0.308 4.55 8 187.8 33.6
135 1 1 10 33.599 67.197 0.309 4.51 8 232.3 51.0
136 6 0 8 33.689 67.377 0.31 4.48 4 183.0 15.7
137 1 3 8 33.904 67.807 0.312 4.42 8 93.2 8.1
138 5 3 6 33.95 67.901 0.312 4.41 8 249.0 57.3
139 9 1 3 34.172 68.344 0.314 4.35 8 338.4 104.5
140 7 3 3 34.175 68.351 0.314 4.35 8 538.3 264.4
141 8 2 4 34.371 68.742 0.316 4.3 8 5.8 0.0
142 6 2 7 34.376 68.753 0.316 4.3 8 504.9 229.8
143 4 4 4 34.376 68.753 0.316 4.3 8 55.9 2.8
144 8 0 6 34.575 69.151 0.317 4.25 4 267.7 31.9
145 0 4 6 34.582 69.165 0.317 4.25 4 332.5 49.2
146 7 1 7 34.584 69.168 0.317 4.25 8 594.2 314.4
147 5 1 9 35.244 70.489 0.323 4.09 8 227.0 44.2
148 3 1 10 35.272 70.545 0.323 4.08 8 374.0 119.6
149 9 1 4 35.41 70.819 0.324 4.05 8 296.3 74.5
150 2 4 6 35.413 70.826 0.324 4.05 8 538.4 246.1
151 7 3 4 35.413 70.826 0.324 4.05 8 459.1 178.9
152 3 3 8 35.571 71.141 0.325 4.01 8 477.1 191.5
153 10 0 0 35.7 71.401 0.326 3.98 2 160.0 5.3
154 6 4 0 35.707 71.414 0.326 3.98 4 10.5 0.0
155 4 2 9 35.864 71.728 0.327 3.95 8 79.5 5.2
156 6 4 1 35.882 71.764 0.328 3.94 8 430.2 153.0
157 4 0 10 35.89 71.781 0.328 3.94 4 681.0 191.7
158 0 2 10 35.892 71.784 0.328 3.94 4 699.8 202.4
159 8 2 5 35.955 71.91 0.328 3.93 8 306.6 77.4
160 4 4 5 35.96 71.921 0.328 3.93 8 298.2 73.2
161 1 5 1 36.091 72.182 0.329 3.9 8 11.7 0.1
162 5 3 7 36.24 72.481 0.33 3.87 8 135.6 14.9
163 10 0 2 36.397 72.794 0.332 3.84 4 443.7 79.2
164 6 4 2 36.404 72.807 0.332 3.84 8 370.8 110.6
165 1 5 2 36.612 73.223 0.333 3.79 8 450.7 161.6
166 2 2 10 36.71 73.42 0.334 3.78 8 50.4 2.0
167 0 4 7 36.855 73.71 0.335 3.75 4 886.2 308.5
168 1 3 9 36.888 73.776 0.336 3.74 8 254.4 50.8
169 9 1 5 36.974 73.949 0.336 3.72 8 571.5 255.0
170 7 3 5 36.978 73.956 0.336 3.72 8 649.9 329.8
171 6 2 8 37.0 74.0 0.336 3.72 8 91.8 6.6
172 7 1 8 37.202 74.403 0.338 3.68 8 23.0 0.4
173 6 4 3 37.267 74.534 0.338 3.67 8 4.6 0.0
174 1 1 11 37.284 74.568 0.339 3.67 8 541.4 225.4
175 1 5 3 37.473 74.946 0.34 3.63 8 742.3 419.7
176 2 4 7 37.665 75.33 0.342 3.6 8 280.9 59.5
177 3 5 1 37.716 75.433 0.342 3.59 8 525.5 208.0
178 8 2 6 37.853 75.707 0.343 3.57 8 304.8 69.5
179 4 4 6 37.858 75.717 0.343 3.57 8 467.1 163.2
180 3 5 2 38.229 76.458 0.346 3.51 8 8.9 0.1
181 10 0 4 38.457 76.914 0.348 3.47 4 999.1 363.2
182 6 4 4 38.464 76.928 0.348 3.47 8 536.6 209.5
183 3 3 9 38.501 77.002 0.348 3.46 8 274.1 54.6
184 5 1 10 38.525 77.05 0.348 3.46 8 331.2 79.6
185 1 5 4 38.668 77.336 0.349 3.44 8 15.7 0.2
186 5 3 8 38.814 77.627 0.35 3.42 8 479.2 164.5
187 9 1 6 38.855 77.709 0.351 3.41 8 151.3 16.4
188 7 3 6 38.858 77.716 0.351 3.41 8 157.9 17.8
189 3 1 11 38.892 77.783 0.351 3.41 8 7.4 0.0
190 10 2 0 38.941 77.882 0.351 3.4 4 80.3 2.3
191 3 5 3 39.078 78.156 0.352 3.38 8 4.5 0.0
192 10 2 1 39.11 78.221 0.353 3.37 8 333.3 78.6
193 4 2 10 39.125 78.251 0.353 3.37 8 731.2 377.9
194 9 3 1 39.312 78.623 0.354 3.35 8 170.1 20.3
195 8 0 8 39.408 78.816 0.355 3.33 4 323.6 36.6
196 0 4 8 39.415 78.829 0.355 3.33 4 533.4 99.3
197 0 2 11 39.49 78.981 0.355 3.32 4 244.6 20.8
198 10 2 2 39.617 79.235 0.356 3.3 8 517.6 185.6
199 9 3 2 39.818 79.636 0.358 3.28 8 558.3 214.2
200 6 2 9 39.893 79.787 0.359 3.27 8 281.0 54.1
201 6 0 10 39.919 79.837 0.359 3.26 4 242.9 20.2
202 6 4 5 39.986 79.972 0.359 3.26 8 213.3 31.1
203 8 2 7 40.057 80.114 0.36 3.25 8 444.4 134.4
204 4 4 7 40.062 80.123 0.36 3.25 8 250.1 42.6
205 7 1 9 40.09 80.181 0.36 3.24 8 73.4 3.7
206 1 3 10 40.12 80.241 0.36 3.24 8 359.9 88.0
207 1 5 5 40.188 80.376 0.361 3.23 8 169.4 19.4
208 0 0 12 40.189 80.379 0.361 3.23 2 992.5 166.8
209 2 4 8 40.208 80.416 0.361 3.23 8 199.5 26.9
210 3 5 4 40.258 80.517 0.361 3.22 8 286.0 55.3
211 2 2 11 40.283 80.567 0.361 3.22 8 94.8 6.1
212 10 2 3 40.458 80.917 0.363 3.2 8 7.7 0.0
213 9 3 3 40.658 81.316 0.364 3.18 8 55.9 2.1
214 11 1 1 40.893 81.785 0.366 3.15 8 157.0 16.3
215 5 5 1 40.902 81.805 0.366 3.15 8 245.8 39.9
216 2 0 12 40.979 81.958 0.367 3.14 4 57.0 1.1
217 9 1 7 41.043 82.086 0.367 3.13 8 35.0 0.8
218 7 3 7 41.046 82.093 0.367 3.13 8 490.6 158.1
219 1 1 12 41.176 82.353 0.368 3.12 8 77.3 3.9
220 8 4 0 41.322 82.645 0.369 3.1 4 55.6 1.0
221 11 1 2 41.394 82.788 0.37 3.1 8 200.4 26.1
222 5 5 2 41.404 82.808 0.37 3.1 8 44.1 1.3
223 8 4 1 41.489 82.979 0.37 3.09 8 58.8 2.2
224 10 2 4 41.629 83.259 0.371 3.07 8 551.2 195.8
225 5 3 9 41.671 83.342 0.372 3.07 8 261.8 44.1
226 3 3 10 41.698 83.395 0.372 3.07 8 565.5 205.6
227 3 5 5 41.764 83.529 0.372 3.06 8 859.6 474.0
228 10 0 6 41.821 83.643 0.373 3.05 4 1.3 0.0
229 6 4 6 41.828 83.656 0.373 3.05 8 9.6 0.1
230 9 3 4 41.828 83.656 0.373 3.05 8 339.1 73.6
231 8 4 2 41.99 83.979 0.374 3.04 8 675.8 291.0
232 1 5 6 42.028 84.055 0.374 3.04 8 188.4 22.6
233 5 1 11 42.054 84.109 0.374 3.03 8 325.1 67.2
234 11 1 3 42.228 84.456 0.376 3.02 8 818.2 423.6
235 5 5 3 42.238 84.475 0.376 3.02 8 303.0 58.1
236 0 4 9 42.262 84.525 0.376 3.01 4 71.4 1.6
237 8 2 8 42.564 85.127 0.378 2.99 8 211.5 28.0
238 4 4 8 42.569 85.137 0.378 2.99 8 361.5 81.9
239 4 2 11 42.643 85.287 0.379 2.98 8 143.7 12.9
240 3 1 12 42.746 85.493 0.379 2.97 8 173.2 18.7
241 8 4 3 42.822 85.643 0.38 2.97 8 209.2 27.2
242 2 4 9 43.046 86.091 0.382 2.95 8 173.1 18.5
243 6 2 10 43.067 86.134 0.382 2.95 8 165.1 16.8
244 10 2 5 43.127 86.254 0.382 2.94 8 351.1 76.1
245 7 1 10 43.261 86.523 0.383 2.93 8 213.9 28.1
246 9 3 5 43.325 86.649 0.384 2.93 8 55.2 1.9
247 4 0 12 43.333 86.665 0.384 2.93 4 20.1 0.1
248 0 2 12 43.334 86.669 0.384 2.93 4 584.6 105.0
249 11 1 4 43.391 86.782 0.384 2.93 8 145.7 13.0
250 5 5 4 43.401 86.802 0.384 2.92 8 227.7 31.8
251 9 1 8 43.54 87.081 0.385 2.91 8 192.7 22.7
252 7 3 8 43.544 87.087 0.385 2.91 8 138.3 11.7
253 3 5 6 43.593 87.187 0.385 2.91 8 155.9 14.8
254 1 3 11 43.623 87.246 0.386 2.91 8 101.9 6.3
255 8 4 4 43.983 87.966 0.388 2.89 8 43.0 1.1
256 6 4 7 43.988 87.976 0.388 2.89 8 230.2 32.1
257 2 2 12 44.115 88.231 0.389 2.88 8 134.1 10.9
258 1 5 7 44.187 88.374 0.39 2.87 8 164.4 16.3
259 12 0 0 44.448 88.895 0.391 2.86 2 76.8 0.9
260 0 6 0 44.462 88.924 0.392 2.86 2 269.6 10.9
261 0 6 1 44.628 89.256 0.393 2.85 4 231.6 16.0
262 5 3 10 44.827 89.653 0.394 2.84 8 536.9 171.4
263 11 1 5 44.883 89.766 0.394 2.83 8 156.3 14.5
264 5 5 5 44.893 89.786 0.395 2.83 8 462.0 126.8
265 10 2 6 44.951 89.902 0.395 2.83 8 301.3 53.9
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 6.702 13.404 7.664 392.0 5.6 5.7 5.6
2 1 1 1 8.115 16.23 6.33663 1418.2 20.3 20.5 5.6
3 2 0 2 9.132 18.264 5.63585 910.2 13.0 13.2 5.6
4 1 1 2 9.737 19.473 5.28896 730.4 10.5 10.6 5.6
5 0 2 0 13.502 27.004 3.831 2354.6 33.8 33.9 5.6
6 3 1 2 13.669 27.338 3.78509 230.2 3.3 3.3 5.6
7 0 2 1 13.862 27.725 3.73326 773.5 11.1 11.1 5.6
8 2 0 4 14.166 28.331 3.65493 819.9 11.8 11.8 5.6
9 1 1 4 14.572 29.145 3.55506 658.0 9.4 9.4 5.6
10 4 0 2 14.892 29.785 3.48032 3045.5 43.7 43.7 5.6
11 2 2 0 15.131 30.262 3.42673 215.3 3.1 3.1 5.6
12 3 1 3 15.376 30.751 3.37346 6976.6 100.0 100.0 5.6
13 2 2 1 15.456 30.913 3.35624 411.4 5.9 5.9 5.6
14 2 2 2 16.398 32.797 3.16831 363.6 5.2 5.2 5.6
15 1 1 5 17.39 34.781 2.99269 4376.4 62.7 62.5 5.7
16 3 1 4 17.512 35.024 2.97254 219.4 3.1 3.1 5.7
17 4 0 4 18.507 37.014 2.81792 619.3 8.9 8.8 5.7
18 5 1 1 18.592 37.184 2.80546 319.7 4.6 4.6 5.7
19 0 0 6 18.824 37.647 2.77217 75.9 1.1 1.1 5.7
20 4 2 0 19.278 38.555 2.70928 1057.9 15.2 15.1 5.7
21 4 2 1 19.542 39.084 2.67404 3175.5 45.5 45.2 5.7
22 2 2 4 19.769 39.539 2.64448 193.4 2.8 2.7 5.7
23 3 1 5 19.964 39.928 2.61977 388.2 5.6 5.5 5.7
24 2 0 6 20.067 40.134 2.60687 637.3 9.1 9.1 5.7
25 4 2 2 20.318 40.635 2.57603 1431.6 20.5 20.3 5.7
26 1 1 6 20.368 40.737 2.56989 81.5 1.2 1.2 5.7
27 6 0 0 20.495 40.99 2.55467 332.4 4.8 4.7 5.7
28 5 1 3 20.686 41.373 2.53208 1348.5 19.3 19.1 5.7
29 0 2 5 20.861 41.722 2.5118 184.4 2.6 2.6 5.7
30 1 3 1 21.045 42.09 2.49086 136.1 2.0 1.9 5.7
31 1 3 2 21.776 43.552 2.41107 986.1 14.1 14.0 5.7
32 2 2 5 22.008 44.017 2.38688 659.6 9.5 9.3 5.7
33 5 1 4 22.385 44.77 2.34872 335.9 4.8 4.7 5.7
34 1 3 3 22.953 45.907 2.29359 345.2 4.9 4.9 5.7
35 4 2 4 23.206 46.412 2.26998 116.4 1.7 1.6 5.7
36 3 3 1 23.279 46.558 2.26324 303.2 4.3 4.3 5.7
37 1 1 7 23.479 46.958 2.24504 939.9 13.5 13.3 5.7
38 3 3 2 23.956 47.913 2.20289 123.0 1.8 1.7 5.7
39 1 3 4 24.527 49.054 2.15468 388.3 5.6 5.5 5.7
40 6 2 0 24.887 49.775 2.12544 232.3 3.3 3.3 5.7
41 3 3 3 25.054 50.108 2.11221 466.7 6.7 6.6 5.7
42 6 2 1 25.104 50.207 2.1083 144.7 2.1 2.0 5.8
43 7 1 1 25.355 50.71 2.08875 699.3 10.0 9.8 5.8
44 0 0 8 25.481 50.962 2.07912 193.8 2.8 2.7 5.8
45 3 1 7 25.547 51.094 2.0741 478.7 6.9 6.7 5.8
46 7 1 2 25.992 51.983 2.04103 188.4 2.7 2.6 5.8
47 0 2 7 26.293 52.586 2.01927 135.1 1.9 1.9 5.8
48 1 3 5 26.447 52.894 2.00835 638.5 9.2 8.9 5.8
49 3 3 4 26.534 53.069 2.00222 434.0 6.2 6.1 5.8
50 5 1 6 26.77 53.54 1.98589 124.3 1.8 1.7 5.8
51 2 2 7 27.263 54.526 1.95263 611.1 8.8 8.5 5.8
52 5 3 1 27.322 54.645 1.94873 87.7 1.3 1.2 5.8
53 8 0 0 27.829 55.658 1.916 843.9 12.1 11.8 5.8
54 6 2 4 28.205 56.409 1.89255 208.2 3.0 2.9 5.8
55 3 3 5 28.358 56.715 1.88319 620.0 8.9 8.6 5.8
56 6 0 6 28.433 56.866 1.87861 765.9 11.0 10.7 5.8
57 0 4 2 28.632 57.264 1.86663 719.2 10.3 10.0 5.8
58 5 3 3 28.917 57.834 1.84981 74.0 1.1 1.0 5.8
59 2 4 1 28.968 57.936 1.84685 265.2 3.8 3.7 5.8
60 4 0 8 29.305 58.609 1.82747 647.1 9.3 9.0 5.8
61 0 4 3 29.607 59.213 1.81049 93.0 1.3 1.3 5.8
62 6 2 5 29.96 59.92 1.79107 338.3 4.8 4.7 5.8
63 1 1 9 30.084 60.169 1.78437 230.0 3.3 3.2 5.8
64 7 1 5 30.184 60.368 1.77904 938.6 13.5 13.0 5.8
65 5 3 4 30.268 60.535 1.77459 351.9 5.0 4.9 5.8
66 1 3 7 31.162 62.324 1.72857 111.1 1.6 1.5 5.8
67 4 4 0 31.47 62.94 1.71336 934.8 13.4 12.9 5.9
68 4 4 1 31.656 63.311 1.70435 326.2 4.7 4.5 5.9
69 3 1 9 31.853 63.707 1.69486 342.3 4.9 4.7 5.9
70 5 3 5 31.953 63.907 1.69012 357.4 5.1 4.9 5.9
71 6 2 6 32.025 64.05 1.68673 313.3 4.5 4.3 5.9
72 5 1 8 32.193 64.385 1.6789 352.3 5.0 4.9 5.9
73 0 0 10 32.531 65.063 1.6633 177.4 2.5 2.4 5.9
74 7 3 1 32.734 65.469 1.65413 188.0 2.7 2.6 5.9
75 4 2 8 32.84 65.679 1.64942 724.9 10.4 10.0 5.9
76 3 3 7 32.898 65.796 1.64683 140.6 2.0 1.9 5.9
77 7 3 2 33.278 66.557 1.63012 228.2 3.3 3.1 5.9
78 7 3 3 34.175 68.351 1.59234 368.8 5.3 5.0 5.9
79 6 2 7 34.376 68.753 1.58416 232.6 3.3 3.2 5.9
80 7 1 7 34.584 69.168 1.57582 395.5 5.7 5.4 5.9
81 3 1 10 35.272 70.545 1.54895 163.8 2.3 2.2 5.9
82 7 3 4 35.413 70.826 1.54359 499.5 7.2 6.8 5.9
83 3 3 8 35.571 71.141 1.53765 191.5 2.7 2.6 5.9
84 0 2 10 35.892 71.784 1.5257 552.4 7.9 7.5 5.9
85 8 2 5 35.955 71.91 1.52339 150.7 2.2 2.0 5.9
86 6 4 2 36.404 72.807 1.50717 189.7 2.7 2.6 6.0
87 1 5 2 36.612 73.223 1.4998 161.6 2.3 2.2 6.0
88 0 4 7 36.855 73.71 1.49128 308.5 4.4 4.2 6.0
89 7 3 5 36.978 73.956 1.48704 591.4 8.5 8.0 6.0
90 1 1 11 37.284 74.568 1.47658 225.4 3.2 3.0 6.0
91 1 5 3 37.473 74.946 1.47021 419.7 6.0 5.7 6.0
92 3 5 1 37.716 75.433 1.46212 208.0 3.0 2.8 6.0
93 4 4 6 37.858 75.717 1.45746 232.7 3.3 3.1 6.0
94 10 0 4 38.457 76.914 1.4382 572.7 8.2 7.7 6.0
95 5 1 10 38.525 77.05 1.43607 134.1 1.9 1.8 6.0
96 5 3 8 38.814 77.627 1.42705 164.5 2.4 2.2 6.0
97 4 2 10 39.125 78.251 1.41748 456.5 6.5 6.1 6.0
98 0 4 8 39.415 78.829 1.40876 135.9 1.9 1.8 6.0
99 10 2 2 39.617 79.235 1.40273 185.6 2.7 2.5 6.0
100 9 3 2 39.818 79.636 1.39683 214.2 3.1 2.9 6.0
101 6 2 9 39.893 79.787 1.39463 74.3 1.1 1.0 6.0
102 8 2 7 40.057 80.114 1.38989 177.0 2.5 2.4 6.0
103 1 3 10 40.12 80.241 1.38806 91.6 1.3 1.2 6.0
104 2 4 8 40.208 80.416 1.38555 213.2 3.1 2.8 6.0
105 7 3 7 41.046 82.093 1.36212 158.1 2.3 2.1 6.1
106 10 2 4 41.629 83.259 1.34645 195.8 2.8 2.6 6.1
107 3 3 10 41.698 83.395 1.34465 249.7 3.6 3.3 6.1
108 3 5 5 41.764 83.529 1.34289 474.0 6.8 6.3 6.1
109 9 3 4 41.828 83.656 1.34123 73.6 1.1 1.0 6.1
110 8 4 2 41.99 83.979 1.33702 291.0 4.2 3.9 6.1
111 5 1 11 42.054 84.109 1.33535 89.8 1.3 1.2 6.1
112 11 1 3 42.228 84.456 1.33088 481.6 6.9 6.4 6.1
113 4 4 8 42.569 85.137 1.32224 109.9 1.6 1.5 6.1
114 10 2 5 43.127 86.254 1.30842 76.1 1.1 1.0 6.1
115 0 2 12 43.334 86.669 1.3034 106.9 1.5 1.4 6.1
116 5 3 10 44.827 89.653 1.2688 171.4 2.5 2.2 6.2
117 5 5 5 44.893 89.786 1.26733 141.4 2.0 1.8 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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