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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TARAMELLITE
2, t-taramellite, f-taramellite
Ba(4)(Fe,Ti,Mg,V)(4)B(2)Si(8)O(27)O(2)Cl
Orthorhombic * Pmmn Z = 4
R =0.028 NR =1902
25 .10 .1990
Ref.Str.:
Mazzi F., Rossi G. (1980)
* Amer. Mineral., 65, 123-128
Reserv:
See U(ij) in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.2 alpha = 90.0
b = 13.952 beta = 90.0
c = 7.128 gamma = 90.0
Unit cell volume (cub. angs.) = 1213.29
Molar volume ( cub.cm/mol.) = 182.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.75 0.25 0.2362 1.47 Ba = 1.00
2 0.25 0.25 0.4671 1.37 Ba = 1.00
3 0.25 0.4716 0.0078 0.82 Ba = 1.00
4 0.6285 0.5026 0.4758 0.76 Ti = 0.75, Fe = 0.25
5 0.4896 0.3659 0.2062 0.46 Si = 1.00
6 0.4736 0.6441 0.2051 0.49 Si = 1.00
7 0.25 0.6585 0.2787 0.17 B = 1.00
8 0.5087 0.25 0.2217 1.14 O = 1.00
9 0.5191 0.75 0.2656 0.81 O = 1.00
10 0.25 0.5754 0.4094 1.11 O = 1.00
11 0.75 0.5711 0.3609 2.11 O = 1.00
12 0.5383 0.609 0.0162 0.76 O = 1.00
13 0.381 0.3994 0.3149 0.78 O = 1.00
14 0.6066 0.4118 0.2628 0.86 O = 1.00
15 0.3453 0.6477 0.1458 0.8 O = 1.00
16 0.4938 0.5718 0.3741 0.92 O = 1.00
17 0.25 0.75 0.378 0.9 O = 1.00
18 0.25 0.25 0.9951 1.64 Cl = 0.95, Cl = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.75 0.25 0.2362
2 2 0.25 0.25 0.4671
3 3 0.25 0.4716 0.0078
4 4 0.6285 0.5026 0.4758
5 5 0.4896 0.3659 0.2062
6 6 0.4736 0.6441 0.2051
7 7 0.25 0.6585 0.2787
8 8 0.5087 0.25 0.2217
9 9 0.5191 0.75 0.2656
10 10 0.25 0.5754 0.4094
11 11 0.75 0.5711 0.3609
12 12 0.5383 0.609 0.0162
13 13 0.381 0.3994 0.3149
14 14 0.6066 0.4118 0.2628
15 15 0.3453 0.6477 0.1458
16 16 0.4938 0.5718 0.3741
17 17 0.25 0.75 0.378
18 18 0.25 0.25 0.9951
19 3 0.25 0.0284 0.0078
20 4 0.8715 0.9974 0.4758
21 5 0.0104 0.1341 0.2062
22 6 0.0264 0.8559 0.2051
23 7 0.25 0.8415 0.2787
24 8 0.9913 0.25 0.2217
25 9 0.9809 0.75 0.2656
26 10 0.25 0.9246 0.4094
27 11 0.75 0.9289 0.3609
28 12 0.9617 0.891 0.0162
29 13 0.119 0.1006 0.3149
30 14 0.8934 0.0882 0.2628
31 15 0.1547 0.8523 0.1458
32 16 0.0062 0.9282 0.3741
33 4 0.8715 0.5026 0.4758
34 5 0.0104 0.3659 0.2062
35 6 0.0264 0.6441 0.2051
36 12 0.9617 0.609 0.0162
37 13 0.119 0.3994 0.3149
38 14 0.8934 0.4118 0.2628
39 15 0.1547 0.6477 0.1458
40 16 0.0062 0.5718 0.3741
41 4 0.6285 0.9974 0.4758
42 5 0.4896 0.1341 0.2062
43 6 0.4736 0.8559 0.2051
44 12 0.5383 0.891 0.0162
45 13 0.381 0.1006 0.3149
46 14 0.6066 0.0882 0.2628
47 15 0.3453 0.8523 0.1458
48 16 0.4938 0.9282 0.3741
49 1 0.25 0.75 0.7638
50 2 0.75 0.75 0.5329
51 3 0.75 0.9716 0.9922
52 4 0.1285 0.0026 0.5242
53 5 0.9896 0.8659 0.7938
54 6 0.9736 0.1441 0.7949
55 7 0.75 0.1585 0.7213
56 8 0.0087 0.75 0.7783
57 9 0.0191 0.25 0.7344
58 10 0.75 0.0754 0.5906
59 11 0.25 0.0711 0.6391
60 12 0.0383 0.109 0.9838
61 13 0.881 0.8994 0.6851
62 14 0.1066 0.9118 0.7372
63 15 0.8453 0.1477 0.8542
64 16 0.9938 0.0718 0.6259
65 17 0.75 0.25 0.622
66 18 0.75 0.75 0.0049
67 3 0.75 0.5284 0.9922
68 4 0.3715 0.4974 0.5242
69 5 0.5104 0.6341 0.7938
70 6 0.5264 0.3559 0.7949
71 7 0.75 0.3415 0.7213
72 8 0.4913 0.75 0.7783
73 9 0.4809 0.25 0.7344
74 10 0.75 0.4246 0.5906
75 11 0.25 0.4289 0.6391
76 12 0.4617 0.391 0.9838
77 13 0.619 0.6006 0.6851
78 14 0.3934 0.5882 0.7372
79 15 0.6547 0.3523 0.8542
80 16 0.5062 0.4282 0.6259
81 4 0.3715 0.0026 0.5242
82 5 0.5104 0.8659 0.7938
83 6 0.5264 0.1441 0.7949
84 12 0.4617 0.109 0.9838
85 13 0.619 0.8994 0.6851
86 14 0.3934 0.9118 0.7372
87 15 0.6547 0.1477 0.8542
88 16 0.5062 0.0718 0.6259
89 4 0.1285 0.4974 0.5242
90 5 0.9896 0.6341 0.7938
91 6 0.9736 0.3559 0.7949
92 12 0.0383 0.391 0.9838
93 13 0.881 0.6006 0.6851
94 14 0.1066 0.5882 0.7372
95 15 0.8453 0.3523 0.8542
96 16 0.9938 0.4282 0.6259
X-ray density (g/cm cub.) = 4.09
MU (1/cm) = 920.199 Mass attenuation coefficient (cm**2/g) = 225.261
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.828 13
2.9457 8
2.8623 14
2.9457 8
2.8623 14
2.8623 14
2.8623 14
3.5094 10
3.2868 15
2.75 17
3.5094 10
3.2868 15
3.2868 15
3.2868 15
2 Ba 3.828 12
3.6085 8
2.8418 13
3.7636 18
3.3644 18
3.6085 8
2.8418 13
2.8418 13
2.8418 13
3.4008 9
2.7809 11
3.4008 9
2.7809 11
3 Ba 3.828 11
3.2081 10
2.8915 13
2.8907 15
3.0931 18
2.8915 13
2.8907 15
2.6948 11
2.8221 12
3.0704 14
2.8221 12
3.0704 14
4 Ti ,Fe 3.132 6
1.9446 11
1.9953 14
2.0392 16
2.0127 10
2.027 13
2.1091 16
5 Si 2.64 4
1.6375 8
1.6044 13
1.6157 14
1.6588 12
6 Si 2.64 4
1.6362 9
1.6358 12
1.6221 15
1.5904 16
7 B 2.412 4
1.4873 10
1.5073 15
1.4597 17
1.5073 15
8 O 3.804 11
2.6858 13
2.5707 14
3.5454 18
2.6858 13
2.5707 14
3.6702 9
3.49 9
2.6598 12
3.4745 15
2.6598 12
3.4745 15
9 O 3.804 10
2.6618 12
2.6949 15
2.622 16
3.3794 17
2.6618 12
2.6949 15
2.622 16
3.3747 18
3.6702 8
3.49 8
10 O 3.804 10
3.0063 13
2.4289 15
2.9854 16
2.4463 17
3.0063 13
2.4289 15
2.9854 16
2.6189 11
2.9244 14
2.9244 14
11 O 3.804 10
3.6038 12
2.9137 14
3.1271 16
3.6038 12
2.9137 14
3.1271 16
3.5594 18
2.6189 10
2.8397 13
2.8397 13
12 O 3.804 11
2.6618 9
3.6038 11
3.3696 14
2.5863 15
2.6594 16
3.2476 18
2.6598 8
3.1902 12
2.5599 13
2.6766 14
3.7758 16
13 O 3.804 10
2.6858 8
3.0063 10
2.7826 14
3.6938 15
2.8031 16
3.4778 18
3.1964 13
2.8397 11
2.5599 12
2.7219 16
14 O 3.804 10
2.5707 8
2.9137 11
3.3696 12
2.7826 13
2.7398 16
3.499 14
2.9244 10
2.6766 12
3.0848 15
2.8725 16
15 O 3.804 11
2.6949 9
2.4289 10
2.5863 12
3.6938 13
2.6555 16
2.4756 17
3.6818 15
2.3253 15
2.8546 15
3.4745 8
3.0848 14
16 O 3.804 11
2.622 9
2.9854 10
3.1271 11
2.6594 12
2.8031 13
2.7398 14
2.6555 15
3.7758 12
2.7219 13
2.8725 14
2.6941 16
17 O 3.804 8
3.3794 9
2.4463 10
2.4756 15
3.3794 9
2.4463 10
2.4756 15
2.4756 15
2.4756 15
18 Cl ,Cl 4.344 14
3.5454 8
3.4778 13
3.5454 8
3.4778 13
3.4778 13
3.4778 13
3.3747 9
3.5594 11
3.2476 12
3.3747 9
3.5594 11
3.2476 12
3.2476 12
3.2476 12
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 1 1 0 5.589 11.178 0.054 207.88 4 4.9 1.3
2 0 0 1 7.209 14.418 0.07 124.06 2 3.6 0.2
3 0 2 0 7.367 14.733 0.072 118.7 2 123.6 246.3
4 0 1 1 8.101 16.201 0.079 97.78 4 82.9 182.7
5 1 0 1 8.357 16.713 0.081 91.75 4 13.6 4.6
6 2 0 0 8.432 16.864 0.082 90.08 2 181.6 403.7
7 1 1 1 9.14 18.28 0.089 76.33 8 54.1 121.3
8 0 2 1 10.335 20.67 0.1 59.23 4 32.7 17.2
9 2 0 1 11.128 22.255 0.108 50.8 4 30.0 12.4
10 1 2 1 11.175 22.35 0.108 50.35 8 36.5 36.5
11 2 2 0 11.232 22.464 0.109 49.82 4 10.9 1.6
12 2 1 1 11.734 23.468 0.114 45.47 8 79.4 156.0
13 1 3 0 11.878 23.756 0.115 44.33 4 80.3 77.7
14 3 1 0 13.244 26.488 0.128 35.25 4 39.2 14.7
15 0 3 1 13.276 26.552 0.128 35.07 4 80.0 61.0
16 2 2 1 13.398 26.795 0.13 34.4 8 243.2 1105.6
17 1 3 1 13.949 27.899 0.135 31.58 8 156.9 422.7
18 0 0 2 14.535 29.07 0.14 28.93 2 97.8 37.6
19 3 0 1 14.669 29.337 0.142 28.37 4 77.3 46.1
20 0 4 0 14.859 29.718 0.143 27.6 2 208.9 163.7
21 0 1 2 15.013 30.025 0.145 27.0 4 20.1 3.0
22 3 1 1 15.142 30.285 0.146 26.5 8 28.0 11.3
23 1 0 2 15.157 30.313 0.146 26.45 4 6.1 0.3
24 1 1 2 15.617 31.234 0.15 24.8 8 261.5 921.4
25 2 3 1 15.811 31.622 0.152 24.15 8 126.0 208.5
26 0 2 2 16.369 32.739 0.158 22.41 4 353.9 762.6
27 3 2 1 16.489 32.979 0.159 22.05 8 86.2 89.1
28 0 4 1 16.588 33.177 0.16 21.77 4 142.0 119.3
29 2 0 2 16.898 33.796 0.162 20.91 4 350.7 698.9
30 1 2 2 16.93 33.861 0.163 20.83 8 97.1 106.6
31 3 3 0 16.988 33.977 0.163 20.67 4 74.4 31.1
32 4 0 0 17.054 34.107 0.164 20.5 2 456.5 580.3
33 1 4 1 17.143 34.286 0.165 20.27 8 134.3 198.8
34 2 4 0 17.182 34.363 0.165 20.17 4 486.4 1296.6
35 2 1 2 17.317 34.633 0.166 19.83 8 22.0 5.2
36 0 3 2 18.433 36.865 0.177 17.29 4 39.4 7.3
37 2 2 2 18.523 37.047 0.178 17.11 8 95.6 84.9
38 3 3 1 18.541 37.082 0.178 17.07 8 146.2 198.2
39 4 0 1 18.602 37.203 0.178 16.95 4 250.7 289.5
40 4 2 0 18.667 37.334 0.179 16.82 4 213.3 207.9
41 2 4 1 18.72 37.441 0.179 16.71 8 133.2 161.2
42 1 3 2 18.94 37.88 0.181 16.29 8 80.4 57.2
43 4 1 1 18.988 37.975 0.182 16.2 8 44.2 17.2
44 1 5 0 19.198 38.395 0.184 15.81 4 202.4 175.9
45 3 0 2 19.494 38.989 0.187 15.28 4 82.3 28.2
46 3 1 2 19.866 39.731 0.19 14.65 8 179.4 256.4
47 4 2 1 20.108 40.216 0.192 14.26 8 330.3 845.8
48 0 5 1 20.135 40.27 0.192 14.22 4 123.1 58.6
49 2 3 2 20.398 40.796 0.195 13.82 8 26.5 5.3
50 1 5 1 20.607 41.214 0.197 13.51 8 89.4 58.7
51 3 2 2 20.947 41.893 0.2 13.02 8 70.6 35.3
52 0 4 2 21.027 42.055 0.201 12.91 4 375.1 493.6
53 3 4 1 21.125 42.249 0.201 12.78 8 15.1 1.6
54 1 4 2 21.483 42.966 0.205 12.3 8 34.7 8.0
55 5 1 0 21.848 43.696 0.208 11.85 4 56.1 10.1
56 4 3 1 21.869 43.737 0.208 11.82 8 195.1 244.4
57 2 5 1 21.973 43.945 0.209 11.7 8 114.4 83.2
58 0 0 3 22.114 44.229 0.21 11.53 2 17.7 0.5
59 0 1 3 22.45 44.9 0.213 11.14 4 103.1 32.2
60 1 0 3 22.552 45.105 0.214 11.03 4 136.7 56.0
61 0 6 0 22.623 45.245 0.215 10.95 2 84.3 10.6
62 3 3 2 22.654 45.308 0.215 10.92 8 153.7 140.1
63 4 0 2 22.705 45.411 0.216 10.86 4 5.4 0.1
64 5 0 1 22.797 45.594 0.217 10.76 4 14.2 0.6
65 2 4 2 22.806 45.613 0.217 10.75 8 105.9 65.5
66 3 5 0 22.877 45.754 0.217 10.68 4 135.0 52.8
67 1 1 3 22.883 45.766 0.217 10.67 8 46.1 12.3
68 4 4 0 22.928 45.856 0.218 10.62 4 143.0 59.0
69 4 1 2 23.034 46.069 0.219 10.51 8 83.9 40.2
70 5 1 1 23.125 46.249 0.22 10.42 8 18.0 1.8
71 0 2 3 23.434 46.868 0.222 10.11 4 185.3 94.4
72 2 0 3 23.829 47.658 0.226 9.74 4 149.6 59.2
73 1 2 3 23.853 47.706 0.226 9.71 8 133.8 94.5
74 0 6 1 23.867 47.733 0.226 9.7 4 94.7 23.7
75 4 2 2 24.0 47.999 0.227 9.58 8 105.4 57.9
76 0 5 2 24.023 48.047 0.228 9.56 4 113.8 33.6
77 5 2 1 24.087 48.175 0.228 9.5 8 82.5 35.1
78 3 5 1 24.111 48.222 0.228 9.48 8 69.6 25.0
79 2 1 3 24.146 48.292 0.229 9.45 8 22.7 2.6
80 4 4 1 24.16 48.32 0.229 9.44 8 151.5 117.7
81 1 6 1 24.28 48.56 0.23 9.33 8 93.9 44.7
82 2 6 0 24.309 48.618 0.23 9.3 4 82.5 17.2
83 1 5 2 24.435 48.87 0.231 9.2 8 276.1 381.1
84 5 3 0 24.455 48.909 0.231 9.18 4 77.1 14.8
85 3 4 2 24.889 49.778 0.235 8.82 8 54.6 14.3
86 0 3 3 25.008 50.016 0.236 8.72 4 79.0 14.8
87 2 2 3 25.079 50.158 0.237 8.67 8 169.1 134.7
88 1 3 3 25.407 50.815 0.24 8.41 8 154.4 109.0
89 2 6 1 25.49 50.981 0.241 8.35 8 135.2 82.9
90 4 3 2 25.547 51.095 0.241 8.31 8 121.3 66.5
91 5 3 1 25.631 51.262 0.242 8.25 8 198.7 176.9
92 2 5 2 25.64 51.28 0.242 8.24 8 5.1 0.1
93 3 0 3 25.849 51.698 0.244 8.09 4 184.9 75.1
94 6 0 0 26.097 52.195 0.246 7.92 2 193.3 40.2
95 3 1 3 26.148 52.296 0.246 7.88 8 47.2 9.5
96 5 0 2 26.376 52.752 0.248 7.73 4 65.4 9.0
97 2 3 3 26.58 53.16 0.25 7.59 8 75.4 23.4
98 5 1 2 26.671 53.342 0.251 7.53 8 222.5 202.8
99 4 5 1 26.886 53.772 0.253 7.4 8 27.7 3.1
100 3 2 3 27.03 54.061 0.254 7.31 8 65.9 17.3
101 1 7 0 27.047 54.094 0.254 7.3 4 119.2 28.2
102 0 4 3 27.097 54.194 0.255 7.27 4 3.8 0.0
103 6 0 1 27.222 54.445 0.256 7.19 4 54.4 5.8
104 6 2 0 27.271 54.543 0.256 7.16 4 16.3 0.5
105 0 6 2 27.341 54.683 0.257 7.12 4 163.3 51.6
106 3 6 1 27.421 54.842 0.257 7.07 8 30.4 3.6
107 1 4 3 27.475 54.95 0.258 7.04 8 100.7 38.8
108 6 1 1 27.511 55.022 0.258 7.02 8 94.5 34.1
109 5 2 2 27.542 55.083 0.258 7.0 8 41.8 6.6
110 3 5 2 27.563 55.126 0.259 6.99 8 274.9 287.0
111 4 4 2 27.608 55.215 0.259 6.97 8 24.5 2.3
112 5 4 1 27.687 55.374 0.26 6.92 8 81.0 24.7
113 1 6 2 27.717 55.434 0.26 6.9 8 121.1 55.0
114 0 7 1 27.774 55.548 0.26 6.87 4 165.0 50.8
115 1 7 1 28.146 56.291 0.264 6.67 8 185.1 124.1
116 6 2 1 28.364 56.729 0.266 6.55 8 221.7 174.9
117 3 3 3 28.459 56.919 0.266 6.5 8 83.3 24.5
118 4 0 3 28.503 57.006 0.267 6.48 4 153.9 41.7
119 2 4 3 28.589 57.178 0.267 6.43 8 7.2 0.2
120 4 1 3 28.783 57.566 0.269 6.34 8 24.2 2.0
121 2 6 2 28.825 57.649 0.27 6.32 8 79.8 21.9
122 4 6 0 28.927 57.855 0.27 6.27 4 210.3 75.3
123 5 3 2 28.954 57.908 0.271 6.25 8 48.2 7.9
124 5 5 0 29.141 58.282 0.272 6.16 4 118.4 23.5
125 2 7 1 29.243 58.485 0.273 6.11 8 48.4 7.8
126 4 2 3 29.612 59.225 0.276 5.94 8 318.5 327.6
127 0 5 3 29.633 59.266 0.276 5.94 4 61.0 6.0
128 6 3 1 29.751 59.502 0.277 5.88 8 55.3 9.8
129 4 6 1 29.981 59.962 0.279 5.78 8 252.8 200.8
130 3 7 0 29.985 59.97 0.279 5.78 4 159.4 39.9
131 1 5 3 29.99 59.98 0.279 5.78 8 58.8 10.9
132 4 5 2 30.115 60.23 0.28 5.72 8 28.3 2.5
133 0 0 4 30.129 60.257 0.281 5.72 2 424.3 139.9
134 5 5 1 30.19 60.38 0.281 5.69 8 51.1 8.1
135 3 4 3 30.386 60.772 0.283 5.61 8 135.7 56.2
136 0 1 4 30.399 60.798 0.283 5.61 4 57.1 5.0
137 6 0 2 30.428 60.856 0.283 5.59 4 227.9 78.9
138 1 0 4 30.482 60.964 0.284 5.57 4 17.1 0.4
139 6 4 0 30.61 61.219 0.285 5.52 4 328.5 161.8
140 3 6 2 30.613 61.227 0.285 5.52 8 1.0 0.0
141 6 1 2 30.697 61.394 0.285 5.49 8 3.3 0.0
142 1 1 4 30.751 61.501 0.286 5.46 8 38.2 4.3
143 0 8 0 30.856 61.712 0.287 5.42 2 402.3 119.3
144 5 4 2 30.861 61.723 0.287 5.42 8 70.4 14.6
145 0 7 2 30.943 61.885 0.287 5.39 4 28.2 1.2
146 4 3 3 30.964 61.929 0.288 5.38 8 29.9 2.6
147 3 7 1 31.016 62.033 0.288 5.36 8 212.9 132.0
148 2 5 3 31.046 62.092 0.288 5.35 8 18.7 1.0
149 7 1 0 31.145 62.29 0.289 5.31 4 43.4 2.7
150 0 2 4 31.202 62.404 0.29 5.29 4 56.4 4.6
151 1 7 2 31.291 62.581 0.29 5.26 8 2.6 0.0
152 6 2 2 31.496 62.991 0.292 5.18 8 64.7 11.8
153 2 0 4 31.528 63.057 0.292 5.17 4 158.1 35.1
154 1 2 4 31.549 63.097 0.292 5.16 8 98.6 27.3
155 6 4 1 31.629 63.259 0.293 5.14 8 118.2 39.0
156 5 0 3 31.699 63.398 0.294 5.11 4 120.3 20.1
157 2 1 4 31.792 63.584 0.294 5.08 8 47.6 6.2
158 0 8 1 31.871 63.742 0.295 5.05 4 44.6 2.7
159 7 0 1 31.893 63.786 0.295 5.04 4 133.2 24.3
160 5 1 3 31.962 63.923 0.296 5.02 8 4.7 0.1
161 7 1 1 32.155 64.31 0.298 4.95 8 34.3 3.2
162 1 8 1 32.213 64.427 0.298 4.93 8 31.6 2.7
163 2 8 0 32.237 64.475 0.298 4.93 4 53.4 3.8
164 2 7 2 32.322 64.644 0.299 4.9 8 34.7 3.2
165 0 3 4 32.515 65.031 0.3 4.84 4 136.1 24.4
166 0 6 3 32.563 65.125 0.301 4.82 4 112.9 16.7
167 2 2 4 32.576 65.151 0.301 4.82 8 49.2 6.3
168 5 2 3 32.743 65.486 0.302 4.76 8 45.6 5.4
169 3 5 3 32.762 65.525 0.303 4.76 8 126.8 41.6
170 4 4 3 32.802 65.605 0.303 4.75 8 204.6 107.9
171 6 3 2 32.803 65.605 0.303 4.75 8 13.3 0.5
172 1 3 4 32.854 65.709 0.303 4.73 8 59.0 9.0
173 1 6 3 32.901 65.802 0.304 4.71 8 157.8 63.8
174 7 2 1 32.934 65.868 0.304 4.7 8 34.6 3.1
175 4 6 2 33.02 66.04 0.305 4.68 8 118.4 35.6
176 5 6 1 33.091 66.183 0.305 4.66 8 106.9 28.9
177 5 5 2 33.218 66.437 0.306 4.62 8 202.7 103.2
178 2 8 1 33.229 66.458 0.306 4.62 8 76.1 14.5
179 3 0 4 33.231 66.462 0.306 4.62 4 16.7 0.4
180 7 3 0 33.235 66.469 0.306 4.61 4 59.0 4.4
181 4 7 1 33.407 66.814 0.308 4.56 8 45.6 5.2
182 3 1 4 33.487 66.975 0.308 4.54 8 22.8 1.3
183 2 3 4 33.86 67.72 0.311 4.44 8 94.9 21.7
184 2 6 3 33.906 67.813 0.312 4.42 8 175.0 73.7
185 6 5 1 33.957 67.915 0.312 4.41 8 88.8 18.9
186 3 7 2 34.004 68.007 0.313 4.4 8 2.8 0.0
187 5 3 3 34.024 68.049 0.313 4.39 8 107.2 27.4
188 7 3 1 34.212 68.423 0.314 4.34 8 87.8 18.2
189 3 2 4 34.251 68.502 0.315 4.33 8 5.6 0.1
190 0 4 4 34.309 68.618 0.315 4.32 4 263.5 81.5
191 6 4 2 34.588 69.177 0.317 4.25 8 69.0 11.0
192 1 4 4 34.639 69.278 0.318 4.23 8 45.6 4.8
193 0 8 2 34.819 69.639 0.319 4.19 4 38.6 1.7
194 7 0 2 34.84 69.681 0.319 4.18 4 75.1 6.4
195 3 8 1 34.889 69.778 0.32 4.17 8 65.5 9.7
196 4 5 3 35.091 70.181 0.321 4.12 8 40.4 3.7
197 7 1 2 35.091 70.182 0.321 4.12 8 134.9 40.8
198 1 8 2 35.147 70.294 0.322 4.11 8 13.6 0.4
199 6 0 3 35.38 70.759 0.324 4.06 4 193.7 41.3
200 5 7 0 35.413 70.825 0.324 4.05 4 87.7 8.5
201 3 3 4 35.506 71.012 0.325 4.03 8 67.3 9.9
202 4 0 4 35.544 71.089 0.325 4.02 4 201.7 44.4
203 3 6 3 35.551 71.102 0.325 4.02 8 41.2 3.7
204 1 9 0 35.565 71.13 0.325 4.01 4 136.1 20.2
205 2 4 4 35.621 71.241 0.326 4.0 8 268.7 157.0
206 6 1 3 35.629 71.257 0.326 4.0 8 12.0 0.3
207 6 6 0 35.758 71.515 0.327 3.97 4 145.6 22.9
208 5 4 3 35.781 71.562 0.327 3.97 8 216.2 100.8
209 4 1 4 35.793 71.586 0.327 3.96 8 118.3 30.2
210 7 2 2 35.839 71.677 0.327 3.95 8 90.6 17.7
211 0 7 3 35.857 71.713 0.327 3.95 4 99.7 10.7
212 8 0 0 35.911 71.822 0.328 3.94 2 561.9 168.9
213 7 4 1 35.964 71.928 0.328 3.93 8 38.6 3.2
214 5 6 2 35.99 71.981 0.328 3.92 8 25.0 1.3
215 2 8 2 36.123 72.246 0.33 3.89 8 111.8 26.4
216 1 7 3 36.18 72.361 0.33 3.88 8 128.6 34.9
217 0 9 1 36.191 72.382 0.33 3.88 4 42.1 1.9
218 4 8 0 36.214 72.428 0.33 3.87 4 129.1 17.6
219 4 7 2 36.294 72.589 0.331 3.86 8 16.3 0.6
220 5 7 1 36.363 72.725 0.331 3.84 8 155.4 50.4
221 6 2 3 36.371 72.743 0.331 3.84 8 163.0 55.5
222 1 9 1 36.513 73.027 0.333 3.81 8 60.1 7.5
223 4 2 4 36.535 73.069 0.333 3.81 8 135.3 37.9
224 0 5 4 36.553 73.106 0.333 3.81 4 64.0 4.2
225 6 6 1 36.704 73.408 0.334 3.78 8 107.6 23.8
226 6 5 2 36.825 73.65 0.335 3.75 8 26.3 1.4
227 8 0 1 36.856 73.712 0.335 3.75 4 44.1 2.0
228 1 5 4 36.874 73.748 0.335 3.74 8 92.3 17.3
229 8 2 0 36.897 73.795 0.336 3.74 4 85.6 7.4
230 7 3 2 37.071 74.141 0.337 3.71 8 92.8 17.4
231 8 1 1 37.101 74.202 0.337 3.7 8 101.4 20.7
232 2 7 3 37.145 74.29 0.338 3.69 8 25.7 1.3
233 4 8 1 37.156 74.311 0.338 3.69 8 128.7 33.2
234 3 4 4 37.232 74.465 0.338 3.68 8 71.6 10.2
235 7 5 0 37.236 74.471 0.338 3.68 4 78.1 6.1
236 2 9 1 37.475 74.949 0.34 3.63 8 67.7 9.1
237 6 3 3 37.597 75.193 0.341 3.61 8 37.6 2.8
238 3 8 2 37.726 75.452 0.342 3.59 8 70.9 9.8
239 4 3 4 37.758 75.515 0.342 3.58 8 42.8 3.6
240 4 6 3 37.802 75.604 0.343 3.58 8 167.8 54.7
241 2 5 4 37.832 75.664 0.343 3.57 8 30.2 1.8
242 8 2 1 37.833 75.665 0.343 3.57 8 47.4 4.4
243 5 5 3 37.989 75.978 0.344 3.55 8 91.2 16.0
244 3 9 0 38.133 76.266 0.345 3.52 4 137.1 18.0
245 7 5 1 38.168 76.336 0.345 3.52 8 40.9 3.2
246 5 0 4 38.43 76.859 0.347 3.48 4 117.0 12.9
247 5 1 4 38.671 77.342 0.349 3.44 8 18.6 0.6
248 3 7 3 38.733 77.466 0.35 3.43 8 178.7 59.5
249 7 4 2 38.771 77.542 0.35 3.42 8 39.7 2.9
250 0 0 5 38.861 77.721 0.351 3.41 2 202.3 19.0
251 0 9 2 38.992 77.983 0.352 3.39 4 28.8 0.8
252 8 3 1 39.042 78.083 0.352 3.38 8 41.9 3.2
253 3 9 1 39.058 78.117 0.352 3.38 8 97.8 17.6
254 0 1 5 39.101 78.203 0.353 3.37 4 134.9 16.7
255 5 7 2 39.159 78.318 0.353 3.37 8 26.4 1.3
256 1 0 5 39.175 78.351 0.353 3.36 4 50.4 2.3
257 0 6 4 39.226 78.452 0.353 3.36 4 28.7 0.8
258 6 4 3 39.289 78.579 0.354 3.35 8 17.5 0.6
259 1 9 2 39.306 78.612 0.354 3.35 8 273.9 136.4
260 5 2 4 39.393 78.787 0.355 3.33 8 2.2 0.0
261 3 5 4 39.411 78.822 0.355 3.33 8 106.5 20.5
262 1 1 5 39.416 78.831 0.355 3.33 8 31.3 1.8
263 4 4 4 39.448 78.897 0.355 3.33 8 94.7 16.2
264 6 6 2 39.492 78.984 0.356 3.32 8 67.8 8.3
265 0 8 3 39.51 79.02 0.356 3.32 4 187.9 31.8
266 7 0 3 39.53 79.06 0.356 3.32 4 145.6 19.1
267 1 6 4 39.54 79.08 0.356 3.31 8 70.5 9.0
268 8 0 2 39.641 79.281 0.357 3.3 4 109.9 10.8
269 7 1 3 39.77 79.539 0.358 3.28 8 37.3 2.5
270 8 4 0 39.802 79.605 0.358 3.28 4 244.5 53.3
271 0 2 5 39.821 79.642 0.358 3.28 4 31.1 0.9
272 1 8 3 39.823 79.646 0.358 3.28 8 56.7 5.7
273 6 7 1 39.853 79.706 0.358 3.27 8 53.3 5.1
274 0 10 0 39.874 79.747 0.358 3.27 2 157.8 11.1
275 8 1 2 39.88 79.76 0.358 3.27 8 22.4 0.9
276 4 8 2 39.934 79.867 0.359 3.26 8 133.1 31.4
277 5 8 1 40.0 80.0 0.359 3.25 8 18.9 0.6
278 2 0 5 40.116 80.231 0.36 3.24 4 2.6 0.0
279 1 2 5 40.134 80.268 0.36 3.24 8 4.3 0.0
280 2 9 2 40.246 80.492 0.361 3.22 8 10.2 0.2
281 2 1 5 40.355 80.709 0.362 3.21 8 116.0 23.5
282 2 6 4 40.478 80.957 0.363 3.2 8 33.6 2.0
283 7 2 3 40.486 80.973 0.363 3.2 8 83.7 12.2
284 5 3 4 40.589 81.178 0.364 3.18 8 68.5 8.1
285 8 2 2 40.596 81.193 0.364 3.18 8 208.6 75.3
286 5 6 3 40.632 81.265 0.364 3.18 8 102.7 18.2
287 8 4 1 40.717 81.434 0.365 3.17 8 26.6 1.2
288 2 8 3 40.76 81.52 0.365 3.16 8 18.8 0.6
289 0 10 1 40.788 81.576 0.365 3.16 4 93.8 7.6
290 7 6 1 40.808 81.616 0.365 3.16 8 5.8 0.1
291 4 7 3 40.925 81.85 0.366 3.15 8 54.4 5.1
292 7 5 2 40.926 81.851 0.366 3.15 8 262.2 117.5
293 0 3 5 41.014 82.028 0.367 3.14 4 54.9 2.6
294 2 2 5 41.069 82.138 0.367 3.13 8 121.1 25.0
295 1 10 1 41.099 82.198 0.367 3.13 8 7.0 0.1
296 2 10 0 41.121 82.242 0.368 3.13 4 91.0 7.0
297 4 9 1 41.246 82.492 0.369 3.11 8 149.2 37.7
298 1 3 5 41.325 82.65 0.369 3.1 8 95.2 15.3
299 6 5 3 41.437 82.875 0.37 3.09 8 41.6 2.9
300 9 1 0 41.526 83.051 0.371 3.08 4 15.4 0.2
301 4 5 4 41.594 83.189 0.371 3.08 8 40.9 2.8
302 3 0 5 41.672 83.344 0.372 3.07 4 120.1 12.0
303 7 3 3 41.675 83.35 0.372 3.07 8 83.4 11.6
304 8 3 2 41.784 83.569 0.372 3.06 8 47.1 3.7
305 3 9 2 41.801 83.602 0.373 3.06 8 249.7 103.6
306 6 0 4 41.869 83.737 0.373 3.05 4 200.5 33.3
307 3 1 5 41.909 83.818 0.373 3.05 8 9.0 0.1
308 2 10 1 42.03 84.06 0.374 3.04 8 13.1 0.3
309 3 6 4 42.032 84.063 0.374 3.04 8 44.5 3.3
310 6 1 4 42.105 84.211 0.375 3.03 8 38.9 2.5
311 9 0 1 42.196 84.393 0.375 3.02 4 56.9 2.7
312 5 4 4 42.251 84.501 0.376 3.02 8 10.7 0.2
313 2 3 5 42.255 84.509 0.376 3.02 8 96.3 15.2
314 3 8 3 42.311 84.622 0.376 3.01 8 137.9 31.1
315 0 7 4 42.323 84.645 0.376 3.01 4 104.5 8.9
316 9 1 1 42.433 84.866 0.377 3.0 8 23.7 0.9
317 6 8 0 42.508 85.015 0.378 2.99 4 44.6 1.6
318 6 7 2 42.584 85.169 0.378 2.99 8 44.7 3.2
319 3 2 5 42.618 85.237 0.379 2.98 8 89.4 13.0
320 1 7 4 42.632 85.264 0.379 2.98 8 119.1 23.0
321 0 4 5 42.673 85.345 0.379 2.98 4 57.1 2.6
322 5 8 2 42.729 85.459 0.379 2.98 8 41.4 2.8
323 6 2 4 42.815 85.629 0.38 2.97 8 29.3 1.4
324 8 5 1 42.85 85.701 0.38 2.97 8 32.8 1.7
325 7 7 0 42.981 85.961 0.381 2.96 4 149.8 18.0
326 1 4 5 42.982 85.963 0.381 2.96 8 5.3 0.0
327 5 9 0 43.125 86.25 0.382 2.94 4 125.1 12.5
328 9 2 1 43.141 86.283 0.382 2.94 8 35.6 2.0
329 7 4 3 43.33 86.66 0.384 2.93 8 16.1 0.4
330 6 8 1 43.412 86.824 0.384 2.92 8 39.7 2.5
331 9 3 0 43.417 86.834 0.384 2.92 4 64.7 3.3
332 8 4 2 43.439 86.878 0.384 2.92 8 246.2 96.3
333 0 10 2 43.509 87.018 0.385 2.92 4 133.1 14.0
334 7 6 2 43.529 87.058 0.385 2.92 8 28.1 1.3
335 0 9 3 43.546 87.092 0.385 2.91 4 32.4 0.8
336 2 7 4 43.558 87.116 0.385 2.91 8 43.8 3.0
337 3 10 1 43.575 87.149 0.385 2.91 8 71.1 8.0
338 5 7 3 43.71 87.42 0.386 2.9 8 131.8 27.4
339 3 3 5 43.798 87.597 0.387 2.9 8 98.2 15.2
340 1 10 2 43.818 87.635 0.387 2.9 8 20.3 0.6
341 4 0 5 43.835 87.67 0.387 2.89 4 350.9 96.9
342 1 9 3 43.854 87.709 0.387 2.89 8 97.6 15.0
343 7 7 1 43.884 87.768 0.387 2.89 8 183.1 52.7
344 2 4 5 43.907 87.814 0.388 2.89 8 208.5 68.3
345 4 9 2 43.963 87.926 0.388 2.89 8 19.3 0.6
346 6 3 4 43.994 87.988 0.388 2.88 8 89.1 12.5
347 5 9 1 44.028 88.057 0.389 2.88 8 81.7 10.5
348 6 6 3 44.037 88.074 0.389 2.88 8 152.5 36.4
349 4 1 5 44.07 88.141 0.389 2.88 8 90.8 12.9
350 8 0 3 44.183 88.365 0.39 2.87 4 4.5 0.0
351 4 6 4 44.193 88.385 0.39 2.87 8 45.2 3.2
352 9 3 1 44.32 88.64 0.391 2.87 8 118.9 22.0
353 5 5 4 44.374 88.748 0.391 2.86 8 126.0 24.7
354 8 1 3 44.418 88.837 0.391 2.86 8 60.2 5.6
355 4 8 3 44.471 88.942 0.392 2.86 8 20.4 0.6
356 8 6 0 44.541 89.081 0.392 2.85 4 32.4 0.8
357 2 10 2 44.742 89.484 0.393 2.84 8 119.5 22.0
358 4 2 5 44.777 89.554 0.394 2.84 8 169.0 44.1
359 2 9 3 44.779 89.557 0.394 2.84 8 11.5 0.2
360 0 5 5 44.795 89.589 0.394 2.84 4 121.6 11.4
361 4 10 0 44.829 89.658 0.394 2.84 4 342.6 90.5
362 9 0 2 44.907 89.815 0.395 2.83 4 31.0 0.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 2 0 7.367 14.733 6.976 246.3 19.0 19.3 5.6
2 0 1 1 8.101 16.201 6.34758 182.7 14.1 14.3 5.6
3 2 0 0 8.432 16.864 6.1 403.7 31.1 31.6 5.6
4 1 1 1 9.14 18.28 5.631 121.3 9.4 9.5 5.6
5 0 2 1 10.335 20.67 4.98565 17.2 1.3 1.3 5.6
6 1 2 1 11.175 22.35 4.61515 36.5 2.8 2.8 5.6
7 2 1 1 11.734 23.468 4.39827 156.0 12.0 12.1 5.6
8 1 3 0 11.878 23.756 4.34563 77.7 6.0 6.0 5.6
9 3 1 0 13.244 26.488 3.9042 14.7 1.1 1.1 5.6
10 0 3 1 13.276 26.552 3.89495 61.0 4.7 4.7 5.6
11 2 2 1 13.398 26.795 3.86031 1105.6 85.3 85.8 5.6
12 1 3 1 13.949 27.899 3.71045 422.7 32.6 32.8 5.6
13 0 0 2 14.535 29.07 3.564 37.6 2.9 2.9 5.6
14 3 0 1 14.669 29.337 3.53224 46.1 3.6 3.6 5.6
15 0 4 0 14.859 29.718 3.488 163.7 12.6 12.7 5.6
16 1 1 2 15.617 31.234 3.32259 921.4 71.1 71.3 5.6
17 2 3 1 15.811 31.622 3.28282 208.5 16.1 16.1 5.6
18 0 2 2 16.369 32.739 3.17379 762.6 58.8 58.9 5.6
19 3 2 1 16.489 32.979 3.15129 89.1 6.9 6.9 5.6
20 0 4 1 16.588 33.177 3.13301 119.3 9.2 9.2 5.6
21 2 0 2 16.898 33.796 3.07726 698.9 53.9 53.9 5.7
22 1 2 2 16.93 33.861 3.07155 106.6 8.2 8.2 5.7
23 3 3 0 16.988 33.977 3.06135 31.1 2.4 2.4 5.7
24 4 0 0 17.054 34.107 3.05 580.3 44.8 44.8 5.7
25 1 4 1 17.143 34.286 3.03454 198.8 15.3 15.3 5.7
26 2 4 0 17.182 34.363 3.02794 1296.6 100.0 100.0 5.7
27 3 3 1 18.541 37.082 2.81289 283.0 21.8 21.8 5.7
28 4 0 1 18.602 37.203 2.80408 289.5 22.3 22.3 5.7
29 4 2 0 18.667 37.334 2.79457 207.9 16.0 16.0 5.7
30 2 4 1 18.72 37.441 2.78691 161.2 12.4 12.4 5.7
31 1 3 2 18.94 37.88 2.75574 57.2 4.4 4.4 5.7
32 4 1 1 18.988 37.975 2.74911 17.2 1.3 1.3 5.7
33 1 5 0 19.198 38.395 2.72016 175.9 13.6 13.5 5.7
34 3 0 2 19.494 38.989 2.68033 28.2 2.2 2.2 5.7
35 3 1 2 19.866 39.731 2.6322 256.4 19.8 19.7 5.7
36 4 2 1 20.108 40.216 2.60176 904.3 69.7 69.4 5.7
37 1 5 1 20.607 41.214 2.54139 58.7 4.5 4.5 5.7
38 3 2 2 20.947 41.893 2.50201 35.3 2.7 2.7 5.7
39 0 4 2 21.027 42.055 2.49282 493.6 38.1 37.8 5.7
40 4 3 1 21.869 43.737 2.40136 254.5 19.6 19.4 5.7
41 2 5 1 21.973 43.945 2.39055 83.2 6.4 6.4 5.7
42 0 1 3 22.45 44.9 2.34228 32.2 2.5 2.5 5.7
43 1 0 3 22.552 45.105 2.33218 56.0 4.3 4.3 5.7
44 3 3 2 22.654 45.308 2.32226 140.1 10.8 10.7 5.7
45 2 4 2 22.806 45.613 2.30757 65.5 5.1 5.0 5.7
46 3 5 0 22.877 45.754 2.30084 65.2 5.0 5.0 5.7
47 4 4 0 22.928 45.856 2.29601 59.0 4.6 4.5 5.7
48 4 1 2 23.034 46.069 2.28598 40.2 3.1 3.1 5.7
49 0 2 3 23.434 46.868 2.24912 94.4 7.3 7.2 5.7
50 1 2 3 23.853 47.706 2.21185 177.4 13.7 13.5 5.7
51 4 2 2 24.0 47.999 2.19914 91.5 7.1 7.0 5.7
52 5 2 1 24.087 48.175 2.19161 60.1 4.6 4.6 5.7
53 4 4 1 24.16 48.32 2.18543 120.3 9.3 9.1 5.7
54 1 6 1 24.28 48.56 2.17525 44.7 3.4 3.4 5.7
55 2 6 0 24.309 48.618 2.17281 17.2 1.3 1.3 5.7
56 1 5 2 24.435 48.87 2.16232 395.9 30.5 30.1 5.7
57 3 4 2 24.889 49.778 2.1253 14.3 1.1 1.1 5.7
58 0 3 3 25.008 50.016 2.11586 14.8 1.1 1.1 5.7
59 2 2 3 25.079 50.158 2.11025 134.7 10.4 10.2 5.7
60 1 3 3 25.407 50.815 2.08474 109.0 8.4 8.3 5.8
61 2 6 1 25.49 50.981 2.0784 82.9 6.4 6.3 5.8
62 4 3 2 25.547 51.095 2.07408 66.5 5.1 5.0 5.8
63 5 3 1 25.631 51.262 2.06777 177.0 13.7 13.4 5.8
64 3 0 3 25.849 51.698 2.05151 75.1 5.8 5.7 5.8
65 6 0 0 26.097 52.195 2.03333 40.2 3.1 3.0 5.8
66 2 3 3 26.58 53.16 1.99902 23.4 1.8 1.8 5.8
67 5 1 2 26.671 53.342 1.99272 202.8 15.6 15.3 5.8
68 1 7 0 27.047 54.094 1.96706 45.5 3.5 3.4 5.8
69 0 6 2 27.341 54.683 1.94748 51.6 4.0 3.9 5.8
70 1 4 3 27.475 54.95 1.93873 38.8 3.0 2.9 5.8
71 6 1 1 27.511 55.022 1.93641 34.1 2.6 2.6 5.8
72 3 5 2 27.563 55.126 1.93302 293.6 22.6 22.1 5.8
73 5 4 1 27.687 55.374 1.92506 24.7 1.9 1.9 5.8
74 1 6 2 27.717 55.434 1.92313 55.0 4.2 4.1 5.8
75 0 7 1 27.774 55.548 1.91951 50.8 3.9 3.8 5.8
76 1 7 1 28.146 56.291 1.89619 124.1 9.6 9.3 5.8
77 6 2 1 28.364 56.729 1.88277 174.9 13.5 13.2 5.8
78 3 3 3 28.459 56.919 1.877 24.5 1.9 1.8 5.8
79 4 0 3 28.503 57.006 1.87438 41.7 3.2 3.1 5.8
80 2 6 2 28.825 57.649 1.85522 21.9 1.7 1.6 5.8
81 4 6 0 28.927 57.855 1.8492 83.2 6.4 6.2 5.8
82 5 5 0 29.141 58.282 1.83681 23.5 1.8 1.8 5.8
83 4 2 3 29.612 59.225 1.81017 333.6 25.7 25.0 5.8
84 4 6 1 29.981 59.962 1.78995 251.6 19.4 18.8 5.8
85 0 0 4 30.129 60.257 1.782 142.4 11.0 10.7 5.8
86 3 4 3 30.386 60.772 1.76832 61.2 4.7 4.6 5.8
87 6 0 2 30.428 60.856 1.76612 78.9 6.1 5.9 5.8
88 6 4 0 30.61 61.219 1.75664 161.8 12.5 12.1 5.8
89 0 8 0 30.856 61.712 1.744 133.9 10.3 10.0 5.8
90 3 7 1 31.016 62.033 1.73586 132.0 10.2 9.9 5.8
91 2 0 4 31.528 63.057 1.71051 62.4 4.8 4.7 5.9
92 6 4 1 31.629 63.259 1.70561 39.0 3.0 2.9 5.9
93 5 0 3 31.699 63.398 1.70226 20.1 1.6 1.5 5.9
94 7 0 1 31.893 63.786 1.69298 27.0 2.1 2.0 5.9
95 0 3 4 32.515 65.031 1.66403 24.4 1.9 1.8 5.9
96 0 6 3 32.563 65.125 1.66188 23.0 1.8 1.7 5.9
97 3 5 3 32.762 65.525 1.65287 46.9 3.6 3.5 5.9
98 4 4 3 32.802 65.605 1.65108 108.4 8.4 8.0 5.9
99 1 6 3 32.901 65.802 1.64668 63.8 4.9 4.7 5.9
100 4 6 2 33.02 66.04 1.64141 35.6 2.7 2.6 5.9
101 5 6 1 33.091 66.183 1.63827 28.9 2.2 2.1 5.9
102 5 5 2 33.218 66.437 1.63273 122.4 9.4 9.1 5.9
103 2 3 4 33.86 67.72 1.60537 21.7 1.7 1.6 5.9
104 2 6 3 33.906 67.813 1.60344 73.7 5.7 5.4 5.9
105 6 5 1 33.957 67.915 1.60132 18.9 1.5 1.4 5.9
106 5 3 3 34.024 68.049 1.59854 27.4 2.1 2.0 5.9
107 7 3 1 34.212 68.423 1.59085 18.2 1.4 1.3 5.9
108 0 4 4 34.309 68.618 1.58689 81.5 6.3 6.0 5.9
109 7 1 2 35.091 70.182 1.55591 44.4 3.4 3.3 5.9
110 6 0 3 35.38 70.759 1.54486 41.3 3.2 3.0 5.9
111 4 0 4 35.544 71.089 1.53863 68.3 5.3 5.0 5.9
112 2 4 4 35.621 71.241 1.53578 157.3 12.1 11.6 5.9
113 5 4 3 35.781 71.562 1.5298 153.8 11.9 11.3 5.9
114 7 2 2 35.839 71.677 1.52767 28.3 2.2 2.1 5.9
115 8 0 0 35.911 71.822 1.525 168.9 13.0 12.4 5.9
116 2 8 2 36.123 72.246 1.51727 26.4 2.0 1.9 5.9
117 1 7 3 36.18 72.361 1.51519 36.8 2.8 2.7 5.9
118 4 8 0 36.214 72.428 1.51397 17.6 1.4 1.3 5.9
119 6 2 3 36.371 72.743 1.50832 105.9 8.2 7.8 6.0
120 4 2 4 36.535 73.069 1.50252 49.6 3.8 3.6 6.0
121 6 6 1 36.704 73.408 1.49656 23.8 1.8 1.7 6.0
122 1 5 4 36.874 73.748 1.49062 26.8 2.1 2.0 6.0
123 7 3 2 37.071 74.141 1.48384 17.4 1.3 1.3 6.0
124 8 1 1 37.101 74.202 1.48281 20.7 1.6 1.5 6.0
125 4 8 1 37.156 74.311 1.48094 34.6 2.7 2.5 6.0
126 3 4 4 37.232 74.465 1.47833 16.3 1.3 1.2 6.0
127 4 6 3 37.802 75.604 1.45931 54.7 4.2 4.0 6.0
128 5 5 3 37.989 75.978 1.4532 16.0 1.2 1.2 6.0
129 3 9 0 38.133 76.266 1.44854 18.0 1.4 1.3 6.0
130 3 7 3 38.733 77.466 1.42955 59.5 4.6 4.3 6.0
131 0 0 5 38.861 77.721 1.4256 19.0 1.5 1.4 6.0
132 3 9 1 39.058 78.117 1.41953 20.8 1.6 1.5 6.0
133 0 1 5 39.101 78.203 1.41822 16.7 1.3 1.2 6.0
134 1 9 2 39.306 78.612 1.41201 136.4 10.5 9.9 6.0
135 3 5 4 39.411 78.822 1.40886 22.3 1.7 1.6 6.0
136 4 4 4 39.448 78.897 1.40775 16.2 1.3 1.2 6.0
137 0 8 3 39.51 79.02 1.40592 68.2 5.3 4.9 6.0
138 8 4 0 39.802 79.605 1.39729 59.9 4.6 4.3 6.0
139 0 10 0 39.874 79.747 1.3952 17.0 1.3 1.2 6.0
140 4 8 2 39.934 79.867 1.39346 31.4 2.4 2.3 6.0
141 2 1 5 40.355 80.709 1.38137 23.5 1.8 1.7 6.1
142 7 2 3 40.486 80.973 1.37764 14.1 1.1 1.0 6.1
143 8 2 2 40.596 81.193 1.37456 83.4 6.4 6.0 6.1
144 5 6 3 40.632 81.265 1.37355 18.2 1.4 1.3 6.1
145 7 5 2 40.926 81.851 1.36542 122.6 9.5 8.8 6.1
146 2 2 5 41.069 82.138 1.3615 25.1 1.9 1.8 6.1
147 4 9 1 41.246 82.492 1.3567 37.7 2.9 2.7 6.1
148 1 3 5 41.325 82.65 1.35457 15.3 1.2 1.1 6.1
149 3 0 5 41.672 83.344 1.34533 23.6 1.8 1.7 6.1
150 3 9 2 41.801 83.602 1.34194 107.3 8.3 7.7 6.1
151 6 0 4 41.869 83.737 1.34017 33.3 2.6 2.4 6.1
152 2 3 5 42.255 84.509 1.3302 15.2 1.2 1.1 6.1
153 3 8 3 42.311 84.622 1.32875 40.1 3.1 2.9 6.1
154 1 7 4 42.632 85.264 1.32066 35.9 2.8 2.6 6.1
155 7 7 0 42.981 85.961 1.31201 18.1 1.4 1.3 6.1
156 5 9 0 43.125 86.25 1.30847 14.5 1.1 1.0 6.1
157 8 4 2 43.439 86.878 1.30088 102.1 7.9 7.2 6.1
158 0 10 2 43.509 87.018 1.2992 15.3 1.2 1.1 6.1
159 5 7 3 43.71 87.42 1.29442 27.4 2.1 1.9 6.2
160 3 3 5 43.798 87.597 1.29234 15.8 1.2 1.1 6.2
161 4 0 5 43.835 87.67 1.29149 111.9 8.6 7.9 6.2
162 2 4 5 43.907 87.814 1.2898 121.0 9.3 8.6 6.2
163 6 6 3 44.037 88.074 1.28677 46.9 3.6 3.3 6.2
164 9 3 1 44.32 88.64 1.28024 22.0 1.7 1.6 6.2
165 5 5 4 44.374 88.748 1.279 24.7 1.9 1.7 6.2
166 2 10 2 44.742 89.484 1.2707 22.0 1.7 1.6 6.2
167 4 2 5 44.777 89.554 1.26991 55.7 4.3 3.9 6.2
168 4 10 0 44.829 89.658 1.26875 90.5 7.0 6.4 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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