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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TEMAGAMITE
1, syn
Pd(3)HgTe(3)
Hexagonal P 3m1 Z = 6
R =0.0522 NR =1201
20 .2 .19
Ref.Str.:
Laufek F., Vymazalova A., Drabek M., Dusek M., Navratil J., Cernoskova E.
(2016) * Eur. J. Mineral., 28, 825-834, DOI: 10.1127/ejm/2016/0028-2547
L: $Pd2.98 Hg0.97 Te3.05$
R: IMA1973-018. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.8211 alpha = 90.0
b = 7.8211 beta = 90.0
c = 17.281 gamma = 120.0
Unit cell volume (cub. angs.) = 915.45
Molar volume ( cub.cm/mol.) = 91.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.8097 0.6194 0.7524 0.0 Pd = 1.00
2 0.814 0.628 0.2381 0.0 Pd = 1.00
3 0.3333 0.6667 0.9079 0.0 Pd = 1.00
4 0.3333 0.6667 0.0816 0.0 Pd = 1.00
5 0.8476 0.6952 0.5802 0.0 Pd = 1.00
6 0.833 0.666 0.4088 0.0 Pd = 1.00
7 0.3333 0.6667 0.7345 0.0 Pd = 1.00
8 0.2854 0.1427 0.0658 0.0 Pd = 1.00
9 0.0 0.0 0.6841 0.0 Hg = 1.00
10 0.0 0.0 0.3156 0.0 Hg = 1.00
11 0.6667 0.3333 0.8673 0.0 Hg = 1.00
12 0.6667 0.3333 0.1318 0.0 Hg = 1.00
13 0.6667 0.3333 0.5004 0.0 Hg = 1.00
14 0.0 0.0 0.9498 0.0 Hg = 1.00
15 0.658 0.829 0.4912 0.0 Te = 1.00
16 0.675 0.8375 0.8248 0.0 Te = 1.00
17 0.67 0.835 0.1637 0.0 Te = 1.00
18 0.0002 0.5001 0.6568 0.0 Te = 1.00
19 0.0076 0.5038 0.3295 0.0 Te = 1.00
20 0.502 0.498 0.9967 0.0 Te = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.8097 0.6194 0.7524
2 2 0.814 0.628 0.2381
3 3 0.3333 0.6667 0.9079
4 4 0.3333 0.6667 0.0816
5 5 0.8476 0.6952 0.5802
6 6 0.833 0.666 0.4088
7 7 0.3333 0.6667 0.7345
8 8 0.2854 0.1427 0.0658
9 9 0.0 0.0 0.6841
10 10 0.0 0.0 0.3156
11 11 0.6667 0.3333 0.8673
12 12 0.6667 0.3333 0.1318
13 13 0.6667 0.3333 0.5004
14 14 0.0 0.0 0.9498
15 15 0.658 0.829 0.4912
16 16 0.675 0.8375 0.8248
17 17 0.67 0.835 0.1637
18 18 0.0002 0.5001 0.6568
19 19 0.0076 0.5038 0.3295
20 20 0.502 0.498 0.9967
21 1 0.3806 0.1903 0.7524
22 1 0.8097 0.1903 0.7524
23 2 0.372 0.186 0.2381
24 2 0.814 0.186 0.2381
25 5 0.3048 0.1524 0.5802
26 5 0.8476 0.1524 0.5802
27 6 0.334 0.167 0.4088
28 6 0.833 0.167 0.4088
29 8 0.8573 0.1427 0.0658
30 8 0.8573 0.7146 0.0658
31 15 0.171 0.829 0.4912
32 15 0.171 0.342 0.4912
33 16 0.1625 0.8375 0.8248
34 16 0.1625 0.325 0.8248
35 17 0.165 0.835 0.1637
36 17 0.165 0.33 0.1637
37 18 0.4999 0.5001 0.6568
38 18 0.4999 0.9998 0.6568
39 19 0.4962 0.5038 0.3295
40 19 0.4962 0.9924 0.3295
41 20 0.502 0.004 0.9967
42 20 0.996 0.498 0.9967
X-ray density (g/cm cub.) = 9.82
MU (1/cm) = 2361.285 Mass attenuation coefficient (cm**2/g) = 240.455
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pd 3.3 4
2.717 16
2.6851 18
2.717 16
2.6851 18
2 Pd 3.3 4
2.714 17
2.6836 19
2.714 17
2.6836 19
3 Pd 3.3 6
2.7237 16
2.7527 20
2.7231 16
2.7237 16
2.7521 20
2.7521 20
4 Pd 3.3 6
2.6859 17
2.7157 20
2.6852 17
2.6859 17
2.7151 20
2.7151 20
5 Pd 3.3 4
2.6854 15
2.7067 18
2.6854 15
2.7067 18
6 Pd 3.3 4
2.6965 15
2.6616 19
2.6965 15
2.6616 19
7 Pd 3.3 6
2.7914 16
2.6255 18
2.7907 16
2.7914 16
2.6261 18
2.6255 18
8 Pd 3.3 4
2.7037 20
2.6971 17
2.697 17
2.7038 20
9 Hg 3.876 3
3.2799 16
3.2799 16
3.2799 16
10 Hg 3.876 6
3.8176 15
3.4477 17
3.8177 15
3.8176 15
3.4477 17
3.4477 17
11 Hg 3.876 3
3.1588 20
3.1584 20
3.1584 20
12 Hg 3.876 3
3.2293 20
3.2289 20
3.2289 20
13 Hg 3.876 6
3.5224 18
3.7488 19
3.5228 18
3.5224 18
3.7492 19
3.7488 19
14 Hg 3.876 3
3.0841 16
3.0842 16
3.0841 16
15 Te 5.064 8
4.0123 15
3.8088 15
4.0123 15
3.8088 15
3.627 18
3.6269 18
3.5581 19
3.5581 19
16 Te 5.064 8
3.7567 20
3.8128 16
4.0083 16
3.8128 16
4.0083 16
3.6951 18
3.6951 18
3.7567 20
17 Te 5.064 8
3.6795 20
3.8715 17
3.9496 17
3.8715 17
3.9496 17
3.6395 19
3.6394 19
3.6795 20
18 Te 5.064 8
3.6269 15
3.627 15
3.6951 16
3.6951 16
3.9082 18
3.9129 18
3.9082 18
3.9129 18
19 Te 5.064 8
3.5581 15
3.5581 15
3.6394 17
3.6395 17
3.8214 19
3.9997 19
3.8214 19
3.9997 19
20 Te 5.064 8
3.7567 16
3.6795 17
3.7567 16
3.6795 17
3.9574 20
3.8637 20
3.8637 20
3.9574 20
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 2.555 5.109 0.029 1003.64 2 4.3 4.5
2 0 0 2 5.115 10.229 0.058 248.68 2 77.0 352.0
3 1 0 0 6.53 13.06 0.074 151.68 6 161.5 2831.6
4 1 0 -1 7.016 14.032 0.079 131.09 6 95.8 861.2
5 1 0 1 7.016 14.032 0.079 131.09 6 75.1 528.7
6 0 0 3 7.685 15.369 0.087 108.9 2 120.8 379.3
7 1 0 -2 8.308 16.617 0.094 92.84 6 41.0 111.6
8 1 0 2 8.308 16.617 0.094 92.84 6 15.3 15.6
9 1 0 -3 10.11 20.22 0.114 61.99 6 111.5 551.7
10 1 0 3 10.11 20.22 0.114 61.99 6 51.0 115.2
11 0 0 4 10.27 20.541 0.116 60.0 2 54.3 42.3
12 1 1 0 11.36 22.72 0.128 48.66 6 81.0 228.5
13 1 1 1 11.651 23.303 0.131 46.15 12 163.7 1769.9
14 1 0 -4 12.209 24.418 0.137 41.85 6 8.6 2.2
15 1 0 4 12.209 24.418 0.137 41.85 6 45.8 62.8
16 1 1 2 12.486 24.973 0.14 39.92 12 62.9 226.4
17 0 0 5 12.878 25.755 0.145 37.4 2 92.9 77.1
18 2 0 0 13.147 26.294 0.148 35.81 6 93.0 221.6
19 2 0 -1 13.402 26.803 0.15 34.38 6 66.5 108.9
20 2 0 1 13.402 26.803 0.15 34.38 6 26.0 16.7
21 1 1 3 13.773 27.546 0.155 32.45 12 49.6 114.2
22 2 0 -2 14.14 28.28 0.159 30.68 6 182.6 732.5
23 2 0 2 14.14 28.28 0.159 30.68 6 50.8 56.6
24 1 0 -5 14.49 28.98 0.162 29.12 6 4.7 0.5
25 1 0 5 14.49 28.98 0.162 29.12 6 79.4 131.6
26 2 0 -3 15.298 30.597 0.171 25.93 6 796.1 11765.7
27 2 0 3 15.298 30.597 0.171 25.93 6 1126.9 23572.9
28 1 1 4 15.408 30.815 0.172 25.53 12 125.9 579.6
29 0 0 6 15.512 31.024 0.174 25.16 2 284.7 486.6
30 2 0 -4 16.798 33.596 0.188 21.18 6 99.1 148.9
31 2 0 4 16.798 33.596 0.188 21.18 6 193.9 570.2
32 1 0 -6 16.895 33.79 0.189 20.92 6 155.6 362.7
33 1 0 6 16.895 33.79 0.189 20.92 6 57.4 49.3
34 1 1 5 17.304 34.608 0.193 19.86 12 422.6 5077.8
35 2 1 0 17.511 35.021 0.195 19.35 12 130.1 468.9
36 2 1 -1 17.708 35.416 0.197 18.88 12 145.7 574.1
37 2 1 1 17.708 35.416 0.197 18.88 12 71.3 137.5
38 0 0 7 18.181 36.362 0.203 17.82 2 48.4 10.0
39 2 1 -2 18.289 36.578 0.204 17.59 12 194.7 954.9
40 2 1 2 18.289 36.578 0.204 17.59 12 202.2 1029.8
41 2 0 -5 18.568 37.137 0.207 17.01 6 158.2 304.7
42 2 0 5 18.568 37.137 0.207 17.01 6 266.2 863.4
43 2 1 -3 19.224 38.448 0.214 15.76 12 77.2 134.5
44 2 1 3 19.224 38.448 0.214 15.76 12 28.7 18.5
45 1 0 -7 19.396 38.792 0.216 15.45 6 48.7 26.3
46 1 0 7 19.396 38.792 0.216 15.45 6 164.9 300.9
47 1 1 6 19.399 38.799 0.216 15.45 12 17.5 6.8
48 3 0 0 19.948 39.896 0.221 14.52 6 42.2 18.5
49 3 0 -1 20.125 40.25 0.223 14.24 6 119.7 146.1
50 3 0 1 20.125 40.25 0.223 14.24 6 149.7 228.3
51 2 1 -4 20.472 40.943 0.227 13.71 12 196.4 756.8
52 2 1 4 20.472 40.943 0.227 13.71 12 221.6 964.1
53 2 0 -6 20.553 41.107 0.228 13.58 6 1076.3 11266.4
54 2 0 6 20.553 41.107 0.228 13.58 6 997.2 9670.6
55 3 0 -2 20.648 41.296 0.229 13.45 6 144.3 200.3
56 3 0 2 20.648 41.296 0.229 13.45 6 290.1 810.0
57 0 0 8 20.891 41.782 0.231 13.1 2 97.1 29.5
58 3 0 -3 21.496 42.993 0.238 12.29 6 31.3 8.6
59 3 0 3 21.496 42.993 0.238 12.29 6 85.2 63.8
60 1 1 7 21.653 43.307 0.24 12.09 12 26.8 12.5
61 1 0 -8 21.98 43.96 0.243 11.69 6 371.5 1154.4
62 1 0 8 21.98 43.96 0.243 11.69 6 392.5 1289.1
63 2 1 -5 21.989 43.979 0.243 11.68 12 83.2 115.8
64 2 1 5 21.989 43.979 0.243 11.68 12 78.0 101.6
65 3 0 -4 22.641 45.281 0.25 10.93 6 258.3 522.2
66 3 0 4 22.641 45.281 0.25 10.93 6 15.4 1.9
67 2 0 -7 22.713 45.426 0.251 10.85 6 97.5 73.8
68 2 0 7 22.713 45.426 0.251 10.85 6 19.7 3.0
69 2 2 0 23.2 46.401 0.256 10.34 6 1566.9 18183.4
70 2 2 1 23.357 46.715 0.257 10.19 12 11.8 2.0
71 0 0 9 23.651 47.302 0.26 9.9 2 105.2 26.2
72 2 1 -6 23.738 47.477 0.261 9.82 12 152.7 327.7
73 2 1 6 23.738 47.477 0.261 9.82 12 24.8 8.7
74 2 2 2 23.823 47.646 0.262 9.74 12 23.7 7.8
75 1 1 8 24.04 48.08 0.264 9.54 12 43.9 26.3
76 3 0 -5 24.049 48.098 0.265 9.54 6 436.9 1302.9
77 3 0 5 24.049 48.098 0.265 9.54 6 330.5 745.8
78 3 1 0 24.207 48.414 0.266 9.39 12 55.2 41.0
79 3 1 -1 24.359 48.718 0.268 9.26 12 67.2 59.8
80 3 1 1 24.359 48.718 0.268 9.26 12 90.3 108.2
81 2 2 3 24.584 49.168 0.27 9.07 12 66.1 56.7
82 1 0 -9 24.644 49.287 0.271 9.02 6 183.8 218.1
83 1 0 9 24.644 49.287 0.271 9.02 6 207.6 278.3
84 3 1 -2 24.81 49.621 0.272 8.88 12 60.1 45.9
85 3 1 2 24.81 49.621 0.272 8.88 12 10.4 1.4
86 2 0 -8 25.021 50.042 0.275 8.71 6 193.1 232.5
87 2 0 8 25.021 50.042 0.275 8.71 6 260.5 423.3
88 3 1 -3 25.549 51.099 0.28 8.31 12 26.2 8.1
89 3 1 3 25.549 51.099 0.28 8.31 12 119.1 168.7
90 2 2 4 25.621 51.242 0.281 8.26 12 12.8 1.9
91 2 1 -7 25.687 51.374 0.281 8.21 12 8.9 0.9
92 2 1 7 25.687 51.374 0.281 8.21 12 140.5 232.0
93 3 0 -6 25.69 51.38 0.281 8.21 6 13.4 1.1
94 3 0 6 25.69 51.38 0.281 8.21 6 54.3 17.3
95 0 0 10 26.471 52.941 0.289 7.66 2 85.3 13.3
96 1 1 9 26.546 53.092 0.29 7.62 12 35.1 13.4
97 3 1 -4 26.559 53.118 0.29 7.61 12 5.5 0.3
98 3 1 4 26.559 53.118 0.29 7.61 12 61.4 41.0
99 2 2 5 26.912 53.824 0.294 7.38 12 86.6 79.2
100 4 0 0 27.058 54.116 0.295 7.29 6 12.9 0.9
101 4 0 -1 27.198 54.397 0.297 7.21 6 28.0 4.0
102 4 0 1 27.198 54.397 0.297 7.21 6 75.9 29.8
103 1 0 -10 27.388 54.776 0.299 7.09 6 124.5 78.7
104 1 0 10 27.388 54.776 0.299 7.09 6 4.1 0.1
105 2 0 -9 27.462 54.923 0.299 7.05 6 662.5 2214.9
106 2 0 9 27.462 54.923 0.299 7.05 6 479.6 1160.9
107 3 0 -7 27.538 55.075 0.3 7.01 6 33.3 5.5
108 3 0 7 27.538 55.075 0.3 7.01 6 52.2 13.7
109 4 0 -2 27.616 55.232 0.301 6.96 6 10.7 0.6
110 4 0 2 27.616 55.232 0.301 6.96 6 133.9 89.3
111 2 1 -8 27.812 55.624 0.303 6.85 12 156.5 240.2
112 2 1 8 27.812 55.624 0.303 6.85 12 187.9 346.5
113 3 1 -5 27.82 55.639 0.303 6.85 12 61.1 36.5
114 3 1 5 27.82 55.639 0.303 6.85 12 22.5 4.9
115 4 0 -3 28.303 56.607 0.308 6.58 6 900.2 3819.0
116 4 0 3 28.303 56.607 0.308 6.58 6 674.7 2145.3
117 2 2 6 28.434 56.869 0.309 6.51 12 316.8 936.4
118 1 1 10 29.165 58.329 0.316 6.15 12 63.7 35.7
119 4 0 -4 29.248 58.496 0.317 6.11 6 135.5 80.4
120 4 0 4 29.248 58.496 0.317 6.11 6 25.2 2.8
121 3 1 -6 29.311 58.621 0.318 6.08 12 27.8 6.7
122 3 1 6 29.311 58.621 0.318 6.08 12 62.8 34.4
123 0 0 11 29.361 58.722 0.318 6.06 2 406.1 238.5
124 3 0 -8 29.572 59.143 0.32 5.96 6 153.9 101.1
125 3 0 8 29.572 59.143 0.32 5.96 6 91.2 35.5
126 3 2 0 29.717 59.433 0.322 5.9 12 128.4 139.2
127 3 2 -1 29.849 59.697 0.323 5.84 12 24.1 4.9
128 3 2 1 29.849 59.697 0.323 5.84 12 35.6 10.6
129 2 0 -10 30.027 60.055 0.325 5.76 6 20.9 1.8
130 2 0 10 30.027 60.055 0.325 5.76 6 150.6 93.6
131 2 1 -9 30.097 60.194 0.326 5.73 12 100.3 82.6
132 2 1 9 30.097 60.194 0.326 5.73 12 115.1 108.8
133 2 2 7 30.168 60.337 0.326 5.7 12 10.3 0.9
134 1 0 -11 30.22 60.441 0.327 5.68 6 331.9 447.9
135 1 0 11 30.22 60.441 0.327 5.68 6 321.4 420.0
136 3 2 -2 30.243 60.485 0.327 5.67 12 72.4 42.5
137 3 2 2 30.243 60.485 0.327 5.67 12 109.1 96.6
138 4 0 -5 30.435 60.869 0.329 5.59 6 225.6 203.6
139 4 0 5 30.435 60.869 0.329 5.59 6 118.4 56.2
140 3 2 -3 30.892 61.785 0.333 5.41 12 108.7 91.5
141 3 2 3 30.892 61.785 0.333 5.41 12 67.7 35.5
142 3 1 -7 31.014 62.028 0.334 5.36 12 165.1 209.2
143 3 1 7 31.014 62.028 0.334 5.36 12 70.3 37.9
144 4 1 0 31.409 62.818 0.338 5.21 12 101.9 77.6
145 4 1 -1 31.537 63.074 0.34 5.17 12 126.4 118.1
146 4 1 1 31.537 63.074 0.34 5.17 12 120.6 107.7
147 3 0 -9 31.777 63.555 0.342 5.08 6 96.3 33.7
148 3 0 9 31.777 63.555 0.342 5.08 6 45.8 7.6
149 3 2 -4 31.789 63.579 0.342 5.08 12 122.4 108.9
150 3 2 4 31.789 63.579 0.342 5.08 12 95.0 65.6
151 4 0 -6 31.849 63.699 0.343 5.06 6 767.3 2132.0
152 4 0 6 31.849 63.699 0.343 5.06 6 843.7 2577.4
153 1 1 11 31.897 63.795 0.343 5.04 12 177.6 227.6
154 4 1 -2 31.919 63.838 0.343 5.03 12 191.9 265.4
155 4 1 2 31.919 63.838 0.343 5.03 12 120.9 105.4
156 2 2 8 32.098 64.196 0.345 4.97 12 63.6 28.8
157 0 0 12 32.336 64.672 0.347 4.89 2 984.0 1130.7
158 2 1 -10 32.533 65.066 0.349 4.83 12 11.8 1.0
159 2 1 10 32.533 65.066 0.349 4.83 12 88.5 54.1
160 4 1 -3 32.55 65.099 0.349 4.82 12 50.4 17.6
161 4 1 3 32.55 65.099 0.349 4.82 12 14.8 1.5
162 2 0 -11 32.718 65.435 0.351 4.77 6 41.5 5.9
163 2 0 11 32.718 65.435 0.351 4.77 6 62.5 13.3
164 3 1 -8 32.916 65.831 0.353 4.71 12 313.7 663.9
165 3 1 8 32.916 65.831 0.353 4.71 12 326.4 718.5
166 3 2 -5 32.923 65.845 0.353 4.71 12 38.5 10.0
167 3 2 5 32.923 65.845 0.353 4.71 12 60.3 24.5
168 1 0 -12 33.151 66.301 0.355 4.64 6 73.8 18.1
169 1 0 12 33.151 66.301 0.355 4.64 6 86.2 24.7
170 4 1 -4 33.422 66.844 0.358 4.56 12 4.1 0.1
171 4 1 4 33.422 66.844 0.358 4.56 12 161.0 169.3
172 4 0 -7 33.478 66.956 0.358 4.54 6 43.4 6.1
173 4 0 7 33.478 66.956 0.358 4.54 6 56.6 10.4
174 3 0 -10 34.147 68.294 0.364 4.36 6 215.3 144.7
175 3 0 10 34.147 68.294 0.364 4.36 6 55.4 9.6
176 2 2 9 34.212 68.424 0.365 4.34 12 74.9 34.8
177 3 2 -6 34.281 68.562 0.366 4.32 12 111.9 77.5
178 3 2 6 34.281 68.562 0.366 4.32 12 68.1 28.8
179 4 1 -5 34.528 69.055 0.368 4.26 12 293.5 525.7
180 4 1 5 34.528 69.055 0.368 4.26 12 358.9 786.0
181 5 0 0 34.654 69.308 0.369 4.23 6 146.2 64.8
182 1 1 12 34.75 69.501 0.37 4.21 12 283.6 484.5
183 5 0 -1 34.775 69.551 0.37 4.2 6 60.8 11.1
184 5 0 1 34.775 69.551 0.37 4.2 6 139.5 58.5
185 3 1 -9 35.004 70.009 0.372 4.14 12 159.1 150.1
186 3 1 9 35.004 70.009 0.372 4.14 12 166.5 164.6
187 2 1 -11 35.119 70.237 0.373 4.12 12 281.3 466.3
188 2 1 11 35.119 70.237 0.373 4.12 12 374.4 826.1
189 5 0 -2 35.139 70.278 0.374 4.11 6 242.8 173.5
190 5 0 2 35.139 70.278 0.374 4.11 6 263.4 204.3
191 4 0 -8 35.31 70.62 0.375 4.07 6 196.1 112.1
192 4 0 8 35.31 70.62 0.375 4.07 6 168.6 82.8
193 0 0 13 35.413 70.825 0.376 4.05 2 60.2 3.5
194 2 0 -12 35.537 71.075 0.377 4.02 6 223.1 143.3
195 2 0 12 35.537 71.075 0.377 4.02 6 131.0 49.4
196 5 0 -3 35.742 71.483 0.379 3.98 6 32.0 2.9
197 5 0 3 35.742 71.483 0.379 3.98 6 33.3 3.2
198 3 2 -7 35.855 71.709 0.38 3.95 12 74.3 31.2
199 3 2 7 35.855 71.709 0.38 3.95 12 136.0 104.7
200 4 1 -6 35.857 71.714 0.38 3.95 12 17.8 1.8
201 4 1 6 35.857 71.714 0.38 3.95 12 47.5 12.7
202 1 0 -13 36.193 72.387 0.383 3.88 6 86.7 20.9
203 1 0 13 36.193 72.387 0.383 3.88 6 98.1 26.7
204 3 3 0 36.223 72.445 0.384 3.87 6 189.3 99.3
205 3 3 1 36.342 72.684 0.385 3.85 12 132.4 96.6
206 2 2 10 36.504 73.008 0.386 3.82 12 31.9 5.6
207 5 0 -4 36.578 73.156 0.387 3.8 6 320.0 278.7
208 5 0 4 36.578 73.156 0.387 3.8 6 245.8 164.4
209 3 0 -11 36.679 73.358 0.388 3.78 6 123.5 41.3
210 3 0 11 36.679 73.358 0.388 3.78 6 191.2 99.0
211 3 3 2 36.699 73.398 0.388 3.78 12 11.4 0.7
212 4 2 0 36.997 73.993 0.391 3.72 12 71.1 26.9
213 4 2 -1 37.115 74.23 0.392 3.7 12 66.9 23.7
214 4 2 1 37.115 74.23 0.392 3.7 12 44.0 10.2
215 3 1 -10 37.276 74.551 0.393 3.67 12 35.4 6.6
216 3 1 10 37.276 74.551 0.393 3.67 12 59.5 18.6
217 3 3 3 37.291 74.582 0.393 3.67 12 5.1 0.1
218 4 0 -9 37.338 74.676 0.394 3.66 6 440.7 508.7
219 4 0 9 37.338 74.676 0.394 3.66 6 572.4 858.0
220 4 1 -7 37.403 74.805 0.394 3.65 12 24.8 3.2
221 4 1 7 37.403 74.805 0.394 3.65 12 11.8 0.7
222 4 2 -2 37.469 74.938 0.395 3.63 12 64.1 21.4
223 4 2 2 37.469 74.938 0.395 3.63 12 9.7 0.5
224 3 2 -8 37.636 75.272 0.396 3.61 12 437.8 989.7
225 3 2 8 37.636 75.272 0.396 3.61 12 444.3 1019.3
226 5 0 -5 37.643 75.285 0.396 3.6 6 54.5 7.7
227 5 0 5 37.643 75.285 0.396 3.6 6 109.4 30.9
228 1 1 13 37.736 75.472 0.397 3.59 12 5.9 0.2
229 2 1 -12 37.858 75.716 0.398 3.57 12 38.5 7.6
230 2 1 12 37.858 75.716 0.398 3.57 12 128.6 84.5
231 4 2 -3 38.057 76.114 0.4 3.53 12 612.8 1900.3
232 4 2 3 38.057 76.114 0.4 3.53 12 781.4 3090.4
233 3 3 4 38.115 76.229 0.401 3.53 12 23.5 2.8
234 2 0 -13 38.499 76.998 0.404 3.46 6 236.0 138.2
235 2 0 13 38.499 76.998 0.404 3.46 6 20.2 1.0
236 0 0 14 38.611 77.223 0.405 3.45 2 58.0 2.8
237 4 2 -4 38.875 77.75 0.407 3.41 12 18.3 1.6
238 4 2 4 38.875 77.75 0.407 3.41 12 65.7 21.1
239 5 0 -6 38.93 77.86 0.408 3.4 6 39.1 3.7
240 5 0 6 38.93 77.86 0.408 3.4 6 179.1 78.0
241 2 2 11 38.974 77.948 0.408 3.39 12 336.3 549.5
242 4 1 -8 39.158 78.317 0.41 3.37 12 41.0 8.1
243 4 1 8 39.158 78.317 0.41 3.37 12 127.2 78.0
244 3 3 5 39.165 78.33 0.41 3.37 12 301.7 438.8
245 5 1 0 39.286 78.571 0.411 3.35 12 8.4 0.3
246 1 0 -14 39.369 78.738 0.412 3.34 6 170.2 69.2
247 1 0 14 39.369 78.738 0.412 3.34 6 165.9 65.7
248 3 0 -12 39.378 78.755 0.412 3.34 6 254.1 154.2
249 3 0 12 39.378 78.755 0.412 3.34 6 333.9 266.3
250 5 1 -1 39.402 78.803 0.412 3.33 12 112.2 60.0
251 5 1 1 39.402 78.803 0.412 3.33 12 82.2 32.2
252 4 0 -10 39.559 79.119 0.413 3.31 6 101.5 24.4
253 4 0 10 39.559 79.119 0.413 3.31 6 32.3 2.5
254 3 2 -9 39.62 79.241 0.414 3.3 12 200.1 189.4
255 3 2 9 39.62 79.241 0.414 3.3 12 224.6 238.6
256 3 1 -11 39.73 79.46 0.415 3.29 12 265.8 332.9
257 3 1 11 39.73 79.46 0.415 3.29 12 268.0 338.3
258 5 1 -2 39.749 79.499 0.415 3.29 12 67.6 21.5
259 5 1 2 39.749 79.499 0.415 3.29 12 171.4 138.3
260 4 2 -5 39.92 79.839 0.417 3.26 12 115.2 62.1
261 4 2 5 39.92 79.839 0.417 3.26 12 179.2 150.0
262 5 1 -3 40.327 80.654 0.42 3.21 12 99.0 45.1
263 5 1 3 40.327 80.654 0.42 3.21 12 14.0 0.9
264 5 0 -7 40.436 80.872 0.421 3.2 6 92.6 19.7
265 5 0 7 40.436 80.872 0.421 3.2 6 54.8 6.9
266 3 3 6 40.438 80.876 0.421 3.2 12 105.5 51.0
267 2 1 -13 40.762 81.524 0.424 3.16 12 95.9 41.6
268 2 1 13 40.762 81.524 0.424 3.16 12 163.3 120.8
269 1 1 14 40.873 81.746 0.425 3.15 12 70.6 22.5
270 4 1 -9 41.122 82.244 0.427 3.13 12 18.4 1.5
271 4 1 9 41.122 82.244 0.427 3.13 12 84.9 32.3
272 5 1 -4 41.133 82.266 0.427 3.12 12 186.0 154.7
273 5 1 4 41.133 82.266 0.427 3.12 12 79.2 28.1
274 4 2 -6 41.187 82.374 0.427 3.12 12 691.7 2136.0
275 4 2 6 41.187 82.374 0.427 3.12 12 636.2 1807.1
276 2 0 -14 41.62 83.241 0.431 3.07 6 87.1 16.7
277 2 0 14 41.62 83.241 0.431 3.07 6 109.1 26.2
278 2 2 12 41.629 83.258 0.431 3.07 12 822.8 2979.7
279 3 2 -10 41.808 83.617 0.433 3.06 12 178.8 139.9
280 3 2 10 41.808 83.617 0.433 3.06 12 60.4 16.0
281 3 3 7 41.931 83.863 0.434 3.04 12 26.3 3.0
282 0 0 15 41.96 83.919 0.434 3.04 2 125.7 11.5
283 4 0 -11 41.977 83.954 0.434 3.04 6 42.0 3.8
284 4 0 11 41.977 83.954 0.434 3.04 6 13.9 0.4
285 5 0 -8 42.158 84.316 0.436 3.02 6 60.1 7.8
286 5 0 8 42.158 84.316 0.436 3.02 6 14.2 0.4
287 5 1 -5 42.165 84.329 0.436 3.02 12 66.3 19.1
288 5 1 5 42.165 84.329 0.436 3.02 12 35.0 5.3
289 3 0 -13 42.255 84.511 0.436 3.02 6 31.1 2.1
290 3 0 13 42.255 84.511 0.436 3.02 6 53.5 6.2
291 3 1 -12 42.374 84.748 0.437 3.0 12 126.8 69.2
292 3 1 12 42.374 84.748 0.437 3.0 12 108.2 50.3
293 4 2 -7 42.676 85.352 0.44 2.98 12 38.9 6.5
294 4 2 7 42.676 85.352 0.44 2.98 12 63.9 17.4
295 1 0 -15 42.704 85.408 0.44 2.98 6 193.5 79.8
296 1 0 15 42.704 85.408 0.44 2.98 6 160.8 55.1
297 6 0 0 43.027 86.054 0.443 2.95 6 1096.9 2542.9
298 6 0 -1 43.141 86.282 0.444 2.94 6 17.8 0.7
299 6 0 1 43.141 86.282 0.444 2.94 6 38.3 3.1
300 4 1 -10 43.296 86.592 0.445 2.93 12 70.1 20.7
301 4 1 10 43.296 86.592 0.445 2.93 12 143.7 86.7
302 5 1 -6 43.421 86.841 0.446 2.92 12 11.6 0.6
303 5 1 6 43.421 86.841 0.446 2.92 12 92.7 36.0
304 6 0 -2 43.483 86.966 0.447 2.92 6 64.3 8.6
305 6 0 2 43.483 86.966 0.447 2.92 6 19.8 0.8
306 3 3 8 43.644 87.289 0.448 2.91 12 63.6 16.8
307 4 3 0 43.769 87.538 0.449 2.9 12 88.0 32.2
308 2 1 -14 43.851 87.702 0.45 2.89 12 257.3 274.4
309 2 1 14 43.851 87.702 0.45 2.89 12 271.5 305.4
310 4 3 -1 43.883 87.766 0.45 2.89 12 118.5 58.1
311 4 3 1 43.883 87.766 0.45 2.89 12 74.6 23.1
312 6 0 -3 44.053 88.106 0.451 2.88 6 19.8 0.8
313 6 0 3 44.053 88.106 0.451 2.88 6 30.0 1.9
314 5 0 -9 44.098 88.196 0.452 2.88 6 59.2 7.2
315 5 0 9 44.098 88.196 0.452 2.88 6 35.2 2.5
316 1 1 15 44.188 88.377 0.452 2.87 12 53.5 11.8
317 3 2 -11 44.205 88.411 0.453 2.87 12 292.1 350.9
318 3 2 11 44.205 88.411 0.453 2.87 12 216.3 192.4
319 4 3 -2 44.225 88.449 0.453 2.87 12 183.7 138.7
320 4 3 2 44.225 88.449 0.453 2.87 12 206.4 175.1
321 4 2 -8 44.386 88.772 0.454 2.86 12 192.3 151.6
322 4 2 8 44.386 88.772 0.454 2.86 12 193.0 152.6
323 2 2 13 44.483 88.965 0.455 2.86 12 87.6 31.4
324 4 0 -12 44.601 89.201 0.456 2.85 6 68.9 9.7
325 4 0 12 44.601 89.201 0.456 2.85 6 162.9 54.1
326 4 3 -3 44.794 89.588 0.457 2.84 12 48.6 9.6
327 4 3 3 44.794 89.588 0.457 2.84 12 23.5 2.3
328 6 0 -4 44.85 89.7 0.458 2.84 6 38.5 3.0
329 6 0 4 44.85 89.7 0.458 2.84 6 99.1 20.0
330 5 1 -7 44.901 89.803 0.458 2.83 12 42.1 7.2
331 5 1 7 44.901 89.803 0.458 2.83 12 152.8 94.7
332 2 0 -15 44.929 89.859 0.458 2.83 6 372.9 281.9
333 2 0 15 44.929 89.859 0.458 2.83 6 368.7 275.6
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 1 0 0 6.53 13.06 6.77327 2831.6 8.0 8.1 5.6
2 1 0 1 7.016 14.032 6.30618 1389.9 3.9 4.0 5.6
3 0 0 3 7.685 15.369 5.76033 379.3 1.1 1.1 5.6
4 1 0 3 10.11 20.22 4.38805 667.0 1.9 1.9 5.6
5 1 1 1 11.651 23.303 3.81411 1769.9 5.0 5.0 5.6
6 2 0 2 14.14 28.28 3.15309 789.1 2.2 2.2 5.6
7 2 0 3 15.298 30.597 2.91945 35338.6 100.0 100.0 5.6
8 1 1 4 15.408 30.815 2.89923 579.6 1.6 1.6 5.6
9 0 0 6 15.512 31.024 2.88017 486.6 1.4 1.4 5.6
10 2 0 4 16.798 33.596 2.66532 719.2 2.0 2.0 5.7
11 1 0 6 16.895 33.79 2.65049 412.0 1.2 1.2 5.7
12 1 1 5 17.304 34.608 2.58971 5077.8 14.4 14.3 5.7
13 2 1 0 17.511 35.021 2.56006 468.9 1.3 1.3 5.7
14 2 1 1 17.708 35.416 2.53242 711.6 2.0 2.0 5.7
15 2 1 2 18.289 36.578 2.45458 1984.7 5.6 5.6 5.7
16 2 0 5 18.568 37.137 2.41893 1168.1 3.3 3.3 5.7
17 3 0 1 20.125 40.25 2.23873 374.4 1.1 1.1 5.7
18 2 1 4 20.472 40.943 2.20241 1720.9 4.9 4.8 5.7
19 2 0 6 20.553 41.107 2.19402 20936.9 59.2 58.7 5.7
20 3 0 2 20.648 41.296 2.18442 1010.3 2.9 2.8 5.7
21 1 0 8 21.98 43.96 2.058 2660.9 7.5 7.4 5.7
22 3 0 4 22.641 45.281 2.00099 524.1 1.5 1.5 5.7
23 2 2 0 23.2 46.401 1.95528 18183.4 51.5 50.7 5.7
24 3 0 5 24.049 48.098 1.89019 2074.9 5.9 5.8 5.7
25 1 0 9 24.644 49.287 1.84732 496.4 1.4 1.4 5.7
26 2 0 8 25.021 50.042 1.8212 655.9 1.9 1.8 5.7
27 2 0 9 27.462 54.923 1.67032 3375.8 9.6 9.3 5.8
28 2 1 8 27.812 55.624 1.65094 628.1 1.8 1.7 5.8
29 4 0 3 28.303 56.607 1.62458 5964.3 16.9 16.4 5.8
30 2 2 6 28.434 56.869 1.61771 936.4 2.6 2.6 5.8
31 1 0 11 30.22 60.441 1.53037 1007.1 2.8 2.8 5.8
32 4 0 6 31.849 63.699 1.45973 4709.4 13.3 12.8 5.9
33 4 1 2 31.919 63.838 1.45689 598.5 1.7 1.6 5.9
34 0 0 12 32.336 64.672 1.44008 1130.7 3.2 3.1 5.9
35 3 1 8 32.916 65.831 1.41751 1417.0 4.0 3.8 5.9
36 4 1 5 34.528 69.055 1.35899 1311.7 3.7 3.5 5.9
37 1 1 12 34.75 69.501 1.35136 554.1 1.6 1.5 5.9
38 2 1 11 35.119 70.237 1.33899 1670.1 4.7 4.5 5.9
39 5 0 4 36.578 73.156 1.2926 443.1 1.3 1.2 6.0
40 4 0 9 37.338 74.676 1.27001 1366.6 3.9 3.6 6.0
41 3 2 8 37.636 75.272 1.26143 2047.6 5.8 5.5 6.0
42 4 2 3 38.057 76.114 1.24955 4990.7 14.1 13.3 6.0
43 2 2 11 38.974 77.948 1.22467 549.5 1.6 1.5 6.0
44 3 3 5 39.165 78.33 1.21966 525.0 1.5 1.4 6.0
45 3 0 12 39.378 78.755 1.21413 647.8 1.8 1.7 6.0
46 3 2 9 39.62 79.241 1.2079 428.0 1.2 1.1 6.0
47 3 1 11 39.73 79.46 1.20513 831.0 2.4 2.2 6.0
48 4 2 6 41.187 82.374 1.16971 3943.1 11.2 10.4 6.1
49 2 2 12 41.629 83.258 1.15953 3022.6 8.6 7.9 6.1
50 6 0 0 43.027 86.054 1.12888 2542.9 7.2 6.6 6.1
51 2 1 14 43.851 87.702 1.11186 579.8 1.6 1.5 6.2
52 3 2 11 44.205 88.411 1.10477 868.8 2.5 2.2 6.2
53 2 0 15 44.929 89.859 1.09069 659.5 1.9 1.7 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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