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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BRITHOLITE_Y
1, td-apatite, s-britholite
(Ca,Fe,Mn,Y,Nd,Dy)(4.58)[Si(2.93)P(0.13)][F(0.93)(OH)(0.07)]
Monoclinic * P2(1) Z = 1
R =0.034 NR =1638
10 .1 .1996
Ref.Str.:
Noe D.C., Hughes J.M., Mariano A.N., Drexler J.W., Kato A. (1993)
* Z. Kristallogr., 206, 233-246
Reserv:
[Ca(1.24)Fe(0.21)Mn(0.49)Y(2.27)Nd(0.1)Dy(0.26)][Si(2.93)P(0.13)]
[F(0.93)OH(0.07)]
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.4216 alpha = 90.0
b = 9.4138 beta = 90.0
c = 6.7639 gamma = 120.03
Unit cell volume (cub. angs.) = 519.39
Molar volume ( cub.cm/mol.) = 312.85
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3338 0.6662 0.0045 2.63 Y = 0.88, Lu = 0.12
2 0.3329 0.667 0.5078 0.87 Ca = 0.2 , Y = 0.8
3 0.9947 0.2422 0.259 1.79 Y = 0.93, Lu = 0.07
4 0.2423 0.2473 0.757 1.75 Y = 0.94, Lu = 0.06
5 0.2473 0.005 0.257 1.85 Y = 0.95, Lu = 0.05
6 0.026 0.627 0.25 1.01 Si = 1.00
7 0.3727 0.3992 0.274 1.11 Si = 1.00
8 0.601 0.9738 0.2501 1.12 Si = 1.00
9 0.8321 0.5071 0.259 2.4 O = 1.00
10 0.491 0.322 0.275 2.7 O = 1.00
11 0.6751 0.169 0.255 2.4 O = 1.00
12 0.403 0.8704 0.238 1.6 O = 1.00
13 0.468 0.596 0.236 1.4 O = 1.00
14 0.13 0.5336 0.288 1.8 O = 1.00
15 0.628 0.896 0.062 1.8 O = 1.00
16 0.686 0.925 0.442 2.3 O = 1.00
17 0.266 0.367 0.061 1.5 O = 1.00
18 0.237 0.31 0.438 3.1 O = 1.00
19 0.0751 0.761 0.085 2.3 O = 1.00
20 0.102 0.733 0.468 1.9 O = 1.00
21 0.0002 0.997 0.231 5.3 F = 0.93, OH = 0.07
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3338 0.6662 0.0045
2 2 0.3329 0.667 0.5078
3 3 0.9947 0.2422 0.259
4 4 0.2423 0.2473 0.757
5 5 0.2473 0.005 0.257
6 6 0.026 0.627 0.25
7 7 0.3727 0.3992 0.274
8 8 0.601 0.9738 0.2501
9 9 0.8321 0.5071 0.259
10 10 0.491 0.322 0.275
11 11 0.6751 0.169 0.255
12 12 0.403 0.8704 0.238
13 13 0.468 0.596 0.236
14 14 0.13 0.5336 0.288
15 15 0.628 0.896 0.062
16 16 0.686 0.925 0.442
17 17 0.266 0.367 0.061
18 18 0.237 0.31 0.438
19 19 0.0751 0.761 0.085
20 20 0.102 0.733 0.468
21 21 0.0002 0.997 0.231
22 1 0.6662 0.3338 0.5045
23 2 0.6671 0.333 0.0078
24 3 0.0053 0.7578 0.759
25 4 0.7577 0.7527 0.257
26 5 0.7527 0.995 0.757
27 6 0.974 0.373 0.75
28 7 0.6273 0.6008 0.774
29 8 0.399 0.0262 0.7501
30 9 0.1679 0.4929 0.759
31 10 0.509 0.678 0.775
32 11 0.3249 0.831 0.755
33 12 0.597 0.1296 0.738
34 13 0.532 0.404 0.736
35 14 0.87 0.4664 0.788
36 15 0.372 0.104 0.562
37 16 0.314 0.075 0.942
38 17 0.734 0.633 0.561
39 18 0.763 0.69 0.938
40 19 0.9249 0.239 0.585
41 20 0.898 0.267 0.968
42 21 0.9998 0.003 0.731
X-ray density (g/cm cub.) = 4.83
MU (1/cm) = 450.676 Mass attenuation coefficient (cm**2/g) = 93.299
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y ,Lu 2.844 8
2.3152 12
2.3073 13
2.5541 14
2.552 15
2.5859 17
2.3043 9
2.2278 10
2.3221 11
2 Ca ,Y 2.928 7
2.4834 12
2.5096 13
2.2448 14
2.5581 20
2.3323 9
2.4203 10
2.3025 11
3 Y ,Lu 2.844 7
2.7324 11
2.3851 14
2.5888 17
2.372 18
2.3423 21
2.2969 19
2.2297 20
4 Y ,Lu 2.844 7
2.3013 17
2.2441 18
2.7311 9
2.3699 13
2.5889 15
2.3978 16
2.2981 21
5 Y ,Lu 2.844 7
2.7082 10
2.3737 12
2.352 19
2.638 20
2.2981 21
2.3257 15
2.2258 16
6 Si 2.148 4
1.5973 9
1.6314 14
1.5706 19
1.7227 20
7 Si 2.148 4
1.6066 10
1.6247 13
1.695 17
1.5798 18
8 Si 2.148 4
1.6066 11
1.6177 12
1.5512 15
1.7045 16
9 O 3.312 9
2.7877 10
2.7581 11
2.6977 14
2.6197 19
2.7522 20
3.2497 14
2.7437 17
3.0372 18
3.2822 20
10 O 3.312 9
2.7877 9
2.7571 11
2.7072 13
2.769 17
2.5855 18
3.189 13
2.6333 15
3.0627 16
3.2934 17
11 O 3.312 7
2.7581 9
2.7571 10
2.6971 12
2.7137 15
2.6688 16
3.0665 19
2.6628 20
12 O 3.312 9
2.6971 11
2.9379 13
2.9361 14
2.3362 15
2.8117 16
2.914 19
2.9093 20
3.2197 15
3.1682 16
13 O 3.312 10
2.7072 10
2.9379 12
2.9559 14
2.7152 15
3.0636 16
2.3588 17
2.8262 18
3.189 10
3.2188 17
3.1795 18
14 O 3.312 10
2.6977 9
2.9361 12
2.9559 13
2.9104 17
2.9326 18
2.8007 19
2.3603 20
3.2497 9
3.1776 19
3.2048 20
15 O 3.312 8
2.7137 11
2.3362 12
2.7152 13
2.6135 16
2.6333 10
3.2197 12
2.9241 18
3.1908 20
16 O 3.312 10
2.6688 11
2.8117 12
3.0636 13
2.6135 15
3.0416 21
3.0627 10
3.1682 12
3.1069 17
2.8426 19
3.3058 21
17 O 3.312 9
2.769 10
2.3588 13
2.9104 14
2.592 18
2.7437 9
3.2934 10
3.2188 13
3.1069 16
3.168 20
18 O 3.312 10
2.5855 10
2.8262 13
2.9326 14
2.592 17
3.0067 21
3.0372 9
3.1795 13
2.9241 15
2.8486 19
3.2879 21
19 O 3.312 9
2.6197 9
2.914 12
2.8007 14
2.629 20
2.8245 21
3.0665 11
3.1776 14
2.8426 16
2.8486 18
20 O 3.312 9
2.7522 9
2.9093 12
2.3603 14
2.629 19
3.2822 9
2.6628 11
3.2048 14
3.1908 15
3.168 17
21 F ,OH 3.36 7
3.3423 15
3.0416 16
3.3159 17
3.0067 18
2.8245 19
3.3058 16
3.2879 18
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 -1 1 0 5.419 10.837 0.061 221.31 2 11.1 20.2
2 1 0 0 5.419 10.837 0.061 221.31 2 10.6 18.4
3 0 1 0 5.423 10.846 0.061 220.94 2 11.1 20.3
4 -1 1 1 8.508 17.015 0.096 88.44 4 14.7 28.2
5 1 0 1 8.508 17.015 0.096 88.44 4 10.0 13.1
6 0 1 1 8.51 17.021 0.096 88.38 4 20.5 55.3
7 -2 1 0 9.411 18.822 0.106 71.88 2 29.6 46.7
8 -1 2 0 9.419 18.838 0.106 71.75 2 29.4 46.0
9 1 1 0 9.419 18.838 0.106 71.75 2 28.8 44.2
10 -2 2 0 10.886 21.773 0.123 53.17 2 100.8 400.5
11 2 0 0 10.886 21.773 0.123 53.17 2 99.7 392.1
12 0 2 0 10.896 21.791 0.123 53.08 2 103.5 421.9
13 -2 1 1 11.494 22.988 0.129 47.48 4 59.3 247.9
14 -1 2 1 11.5 23.001 0.129 47.43 4 59.2 246.3
15 1 1 1 11.5 23.001 0.129 47.42 4 58.2 238.1
16 -2 2 1 12.741 25.481 0.143 38.26 4 13.1 9.7
17 2 0 1 12.741 25.482 0.143 38.26 4 15.0 12.8
18 0 2 1 12.749 25.497 0.143 38.21 4 9.1 4.7
19 0 0 2 13.165 26.331 0.148 35.7 2 168.1 747.5
20 -1 1 2 14.274 28.548 0.16 30.07 4 101.4 458.0
21 1 0 2 14.274 28.548 0.16 30.07 4 102.0 463.5
22 0 1 2 14.276 28.552 0.16 30.06 4 102.2 465.8
23 -3 2 0 14.465 28.929 0.162 29.23 2 86.3 161.3
24 -3 1 0 14.465 28.929 0.162 29.23 2 125.0 338.7
25 -2 3 0 14.473 28.947 0.162 29.19 2 124.5 335.5
26 2 1 0 14.474 28.947 0.162 29.19 2 84.7 155.4
27 -1 3 0 14.479 28.957 0.162 29.17 2 86.4 161.4
28 1 2 0 14.479 28.958 0.162 29.17 2 125.6 341.1
29 -3 2 1 15.933 31.866 0.178 23.75 4 129.3 588.9
30 -3 1 1 15.933 31.867 0.178 23.75 4 165.9 969.5
31 -2 3 1 15.941 31.882 0.178 23.73 4 167.9 992.0
32 2 1 1 15.941 31.883 0.178 23.73 4 129.8 593.0
33 -1 3 1 15.946 31.892 0.178 23.71 4 129.8 592.2
34 1 2 1 15.946 31.892 0.178 23.71 4 165.5 962.8
35 -2 1 2 16.283 32.566 0.182 22.66 4 161.1 872.5
36 -1 2 2 16.288 32.575 0.182 22.65 4 163.8 900.9
37 1 1 2 16.288 32.575 0.182 22.65 4 162.1 882.8
38 -3 3 0 16.457 32.913 0.184 22.15 2 207.9 709.8
39 3 0 0 16.457 32.914 0.184 22.15 2 206.4 699.8
40 0 3 0 16.471 32.942 0.184 22.11 2 205.0 689.0
41 -2 2 2 17.21 34.42 0.192 20.1 4 56.9 96.4
42 2 0 2 17.21 34.421 0.192 20.1 4 59.9 106.9
43 0 2 2 17.216 34.433 0.192 20.08 4 55.7 92.2
44 -3 3 1 17.778 35.555 0.198 18.72 4 24.2 16.3
45 3 0 1 17.778 35.556 0.198 18.72 4 26.1 19.0
46 0 3 1 17.791 35.582 0.198 18.69 4 26.8 19.9
47 -4 2 0 19.088 38.177 0.212 16.01 2 33.8 13.6
48 -2 4 0 19.105 38.21 0.212 15.98 2 35.4 14.8
49 2 2 0 19.105 38.21 0.212 15.98 2 35.7 15.1
50 -3 2 2 19.757 39.514 0.219 14.83 4 26.3 15.2
51 -3 1 2 19.757 39.514 0.219 14.83 4 25.0 13.7
52 -2 3 2 19.764 39.527 0.219 14.82 4 28.3 17.6
53 2 1 2 19.764 39.528 0.219 14.82 4 24.9 13.6
54 -1 3 2 19.768 39.536 0.22 14.82 4 26.4 15.3
55 1 2 2 19.768 39.536 0.22 14.82 4 25.6 14.4
56 -4 3 0 19.902 39.804 0.221 14.59 2 85.8 79.6
57 -4 1 0 19.902 39.804 0.221 14.59 2 51.4 28.6
58 -3 4 0 19.911 39.822 0.221 14.58 2 49.5 26.4
59 3 1 0 19.911 39.823 0.221 14.58 2 86.1 80.1
60 -1 4 0 19.922 39.844 0.221 14.56 2 86.4 80.6
61 1 3 0 19.922 39.844 0.221 14.56 2 47.8 24.6
62 -4 2 1 20.26 40.521 0.225 14.03 4 34.7 25.0
63 -2 4 1 20.276 40.552 0.225 14.0 4 34.5 24.8
64 2 2 1 20.276 40.553 0.225 14.0 4 34.2 24.3
65 -1 1 3 20.76 41.52 0.23 13.28 4 14.6 4.2
66 1 0 3 20.76 41.52 0.23 13.28 4 12.6 3.1
67 0 1 3 20.761 41.522 0.23 13.28 4 15.8 4.9
68 -4 3 1 21.036 42.072 0.233 12.9 4 30.1 17.3
69 -4 1 1 21.036 42.072 0.233 12.9 4 17.3 5.7
70 -3 4 1 21.045 42.089 0.233 12.89 4 21.6 8.9
71 3 1 1 21.045 42.09 0.233 12.88 4 27.2 14.2
72 -1 4 1 21.055 42.11 0.233 12.87 4 31.4 18.8
73 1 3 1 21.055 42.11 0.233 12.87 4 21.3 8.6
74 -3 3 2 21.315 42.63 0.236 12.52 4 48.5 43.6
75 3 0 2 21.315 42.63 0.236 12.52 4 47.5 41.9
76 0 3 2 21.326 42.653 0.236 12.51 4 49.8 46.0
77 -4 4 0 22.193 44.385 0.245 11.44 2 88.8 66.8
78 4 0 0 22.193 44.386 0.245 11.44 2 87.6 65.1
79 0 4 0 22.212 44.425 0.245 11.41 2 88.7 66.5
80 -2 1 3 22.257 44.513 0.246 11.36 4 88.8 133.0
81 -1 2 3 22.26 44.521 0.246 11.36 4 88.8 132.9
82 1 1 3 22.26 44.521 0.246 11.36 4 89.5 135.0
83 -2 2 3 22.977 45.955 0.253 10.57 4 34.5 18.6
84 2 0 3 22.978 45.955 0.253 10.57 4 35.0 19.2
85 0 2 3 22.982 45.965 0.253 10.57 4 36.5 20.9
86 -4 4 1 23.236 46.471 0.256 10.31 4 6.1 0.6
87 4 0 1 23.236 46.472 0.256 10.31 4 18.3 5.1
88 0 4 1 23.255 46.51 0.256 10.29 4 6.3 0.6
89 -4 2 2 23.486 46.972 0.259 10.06 4 176.7 466.0
90 -2 4 2 23.5 47.0 0.259 10.05 4 174.2 452.1
91 2 2 2 23.5 47.0 0.259 10.05 4 175.5 458.9
92 -4 3 2 24.178 48.357 0.266 9.42 4 102.9 147.8
93 -4 1 2 24.178 48.357 0.266 9.42 4 87.3 106.3
94 -3 4 2 24.186 48.372 0.266 9.41 4 91.7 117.3
95 3 1 2 24.187 48.373 0.266 9.41 4 102.7 147.2
96 -1 4 2 24.195 48.391 0.266 9.4 4 101.5 143.8
97 1 3 2 24.196 48.391 0.266 9.4 4 88.6 109.5
98 -5 3 0 24.299 48.599 0.267 9.31 2 95.9 63.5
99 -5 2 0 24.3 48.599 0.267 9.31 2 53.0 19.4
100 -3 5 0 24.318 48.635 0.267 9.3 2 52.9 19.3
101 3 2 0 24.318 48.636 0.267 9.3 2 96.2 63.8
102 -2 5 0 24.323 48.646 0.267 9.29 2 95.3 62.5
103 2 3 0 24.324 48.647 0.267 9.29 2 52.6 19.0
104 -3 2 3 25.038 50.075 0.275 8.7 4 116.7 175.7
105 -3 1 3 25.038 50.075 0.275 8.7 4 144.2 268.2
106 -2 3 3 25.043 50.086 0.275 8.7 4 148.6 284.8
107 2 1 3 25.043 50.087 0.275 8.7 4 116.3 174.3
108 -1 3 3 25.047 50.093 0.275 8.69 4 116.1 173.7
109 1 2 3 25.047 50.093 0.275 8.69 4 142.9 263.4
110 -5 3 1 25.276 50.551 0.277 8.51 4 101.2 129.2
111 -5 2 1 25.276 50.551 0.277 8.51 4 107.2 145.1
112 -3 5 1 25.293 50.586 0.277 8.5 4 104.9 138.8
113 3 2 1 25.294 50.587 0.277 8.5 4 101.2 129.1
114 -2 5 1 25.299 50.597 0.277 8.5 4 100.4 126.9
115 2 3 1 25.299 50.598 0.277 8.5 4 109.9 152.3
116 -5 4 0 25.637 51.274 0.281 8.24 2 158.2 152.9
117 -5 1 0 25.637 51.274 0.281 8.24 2 145.2 128.8
118 -4 5 0 25.647 51.293 0.281 8.24 2 144.1 126.7
119 4 1 0 25.647 51.294 0.281 8.24 2 159.0 154.3
120 -1 5 0 25.663 51.326 0.281 8.22 2 158.9 153.9
121 1 4 0 25.663 51.327 0.281 8.22 2 144.8 127.9
122 -4 4 2 26.173 52.345 0.286 7.86 4 175.4 358.7
123 4 0 2 26.173 52.346 0.286 7.86 4 176.3 362.4
124 0 4 2 26.19 52.38 0.286 7.85 4 175.5 358.6
125 -3 3 3 26.348 52.695 0.288 7.75 4 15.1 2.6
126 3 0 3 26.348 52.696 0.288 7.75 4 19.1 4.2
127 0 3 3 26.357 52.715 0.288 7.74 4 17.9 3.7
128 -5 4 1 26.577 53.154 0.29 7.59 4 14.1 2.2
129 -5 1 1 26.577 53.155 0.29 7.59 4 24.8 6.9
130 -4 5 1 26.587 53.173 0.291 7.59 4 23.8 6.4
131 4 1 1 26.587 53.174 0.291 7.59 4 11.1 1.4
132 -1 5 1 26.603 53.206 0.291 7.58 4 18.3 3.8
133 1 4 1 26.603 53.206 0.291 7.58 4 24.0 6.4
134 0 0 4 27.099 54.197 0.296 7.27 2 320.5 553.2
135 -1 1 4 27.724 55.447 0.302 6.9 4 14.0 2.0
136 1 0 4 27.724 55.448 0.302 6.9 4 9.8 1.0
137 0 1 4 27.725 55.45 0.302 6.9 4 18.7 3.6
138 -5 3 2 28.056 56.112 0.305 6.72 4 14.1 2.0
139 -5 2 2 28.056 56.112 0.305 6.71 4 56.9 32.3
140 -3 5 2 28.072 56.144 0.305 6.71 4 57.3 32.7
141 3 2 2 28.073 56.145 0.305 6.71 4 13.6 1.8
142 -2 5 2 28.077 56.155 0.306 6.7 4 13.3 1.8
143 2 3 2 28.078 56.155 0.306 6.7 4 56.8 32.1
144 -5 5 0 28.174 56.348 0.306 6.65 2 34.4 5.8
145 5 0 0 28.174 56.349 0.306 6.65 2 36.6 6.6
146 0 5 0 28.2 56.4 0.307 6.64 2 35.3 6.1
147 -4 2 3 28.225 56.45 0.307 6.62 4 19.6 3.8
148 -2 4 3 28.237 56.474 0.307 6.62 4 19.4 3.7
149 2 2 3 28.237 56.475 0.307 6.62 4 19.2 3.6
150 -4 3 3 28.835 57.669 0.313 6.31 4 29.6 8.2
151 -4 1 3 28.835 57.67 0.313 6.31 4 21.7 4.4
152 -3 4 3 28.842 57.683 0.313 6.31 4 23.8 5.3
153 3 1 3 28.842 57.684 0.313 6.31 4 24.5 5.6
154 -1 4 3 28.85 57.7 0.313 6.3 4 28.2 7.4
155 1 3 3 28.85 57.7 0.313 6.3 4 22.7 4.8
156 -2 1 4 28.946 57.892 0.314 6.26 4 32.7 9.9
157 -1 2 4 28.949 57.898 0.314 6.26 4 32.1 9.6
158 1 1 4 28.949 57.898 0.314 6.26 4 32.4 9.7
159 -5 5 1 29.058 58.115 0.315 6.2 4 18.7 3.2
160 5 0 1 29.058 58.116 0.315 6.2 4 17.9 3.0
161 0 5 1 29.083 58.166 0.316 6.19 4 15.8 2.3
162 -5 4 2 29.272 58.544 0.317 6.1 4 14.2 1.8
163 -5 1 2 29.272 58.544 0.317 6.1 4 42.1 16.0
164 -4 5 2 29.281 58.561 0.317 6.1 4 42.4 16.2
165 4 1 2 29.281 58.562 0.317 6.1 4 18.6 3.1
166 -1 5 2 29.296 58.592 0.318 6.09 4 14.1 1.8
167 1 4 2 29.296 58.592 0.318 6.09 4 42.7 16.5
168 -6 3 0 29.376 58.752 0.318 6.05 2 38.0 6.5
169 -3 6 0 29.403 58.806 0.319 6.04 2 37.1 6.2
170 3 3 0 29.403 58.807 0.319 6.04 2 35.8 5.7
171 -2 2 4 29.546 59.092 0.32 5.97 4 58.1 29.9
172 2 0 4 29.546 59.092 0.32 5.97 4 57.9 29.7
173 0 2 4 29.55 59.1 0.32 5.97 4 60.2 32.1
174 -6 4 0 29.971 59.942 0.324 5.79 2 107.6 49.7
175 -6 2 0 29.971 59.942 0.324 5.79 2 74.9 24.1
176 -4 6 0 29.991 59.981 0.324 5.78 2 78.0 26.0
177 4 2 0 29.991 59.982 0.324 5.78 2 108.5 50.4
178 -2 6 0 30.002 60.005 0.325 5.77 2 107.3 49.3
179 2 4 0 30.003 60.006 0.325 5.77 2 75.4 24.3
180 -6 3 1 30.238 60.475 0.327 5.67 4 105.0 92.7
181 -3 6 1 30.264 60.528 0.327 5.66 4 103.8 90.4
182 3 3 1 30.264 60.529 0.327 5.66 4 103.5 89.8
183 -4 4 3 30.618 61.235 0.331 5.52 4 9.6 0.8
184 4 0 3 30.618 61.236 0.331 5.52 4 7.2 0.4
185 0 4 3 30.633 61.267 0.331 5.51 4 9.2 0.7
186 -6 4 1 30.822 61.645 0.333 5.44 4 38.1 11.7
187 -6 2 1 30.822 61.645 0.333 5.44 4 19.4 3.0
188 -4 6 1 30.842 61.683 0.333 5.43 4 18.0 2.6
189 4 2 1 30.842 61.684 0.333 5.43 4 38.8 12.1
190 -2 6 1 30.853 61.707 0.333 5.42 4 39.7 12.7
191 2 4 1 30.854 61.707 0.333 5.42 4 9.3 0.7
192 -3 2 4 31.3 62.599 0.337 5.25 4 77.0 46.2
193 -3 1 4 31.3 62.599 0.337 5.25 4 80.1 50.0
194 -2 3 4 31.304 62.609 0.337 5.25 4 77.3 46.6
195 2 1 4 31.304 62.609 0.337 5.25 4 79.3 48.9
196 -1 3 4 31.307 62.614 0.337 5.25 4 75.7 44.6
197 1 2 4 31.307 62.615 0.337 5.25 4 81.1 51.3
198 -5 5 2 31.615 63.231 0.34 5.14 4 133.0 134.8
199 5 0 2 31.616 63.232 0.34 5.14 4 135.0 138.8
200 0 5 2 31.64 63.279 0.341 5.13 4 135.0 138.7
201 -6 5 0 31.715 63.43 0.341 5.1 2 44.6 7.5
202 -6 1 0 31.715 63.431 0.341 5.1 2 83.4 26.3
203 -5 6 0 31.725 63.451 0.341 5.1 2 82.4 25.7
204 5 1 0 31.726 63.452 0.341 5.1 2 46.0 8.0
205 -1 6 0 31.749 63.497 0.342 5.09 2 47.0 8.3
206 1 5 0 31.749 63.498 0.342 5.09 2 82.1 25.5
207 -5 3 3 32.333 64.666 0.347 4.89 4 62.9 28.7
208 -5 2 3 32.333 64.667 0.347 4.89 4 101.1 74.2
209 -3 5 3 32.348 64.696 0.347 4.89 4 100.2 72.7
210 3 2 3 32.349 64.697 0.347 4.89 4 62.9 28.7
211 -2 5 3 32.353 64.706 0.347 4.89 4 63.0 28.7
212 2 3 3 32.353 64.707 0.347 4.89 4 100.5 73.2
213 -3 3 4 32.441 64.882 0.348 4.86 4 129.1 120.1
214 3 0 4 32.441 64.882 0.348 4.86 4 129.5 120.8
215 0 3 4 32.449 64.899 0.348 4.86 4 129.5 120.8
216 -6 5 1 32.54 65.08 0.349 4.83 4 60.6 26.3
217 -6 1 1 32.54 65.081 0.349 4.83 4 96.9 67.2
218 -5 6 1 32.55 65.101 0.349 4.82 4 96.8 67.0
219 5 1 1 32.551 65.102 0.349 4.82 4 60.5 26.2
220 -1 6 1 32.573 65.146 0.349 4.82 4 60.2 25.8
221 1 5 1 32.573 65.147 0.349 4.82 4 95.7 65.5
222 -6 3 2 32.741 65.481 0.351 4.76 4 101.4 72.6
223 -3 6 2 32.766 65.532 0.351 4.76 4 102.4 73.9
224 3 3 2 32.766 65.533 0.351 4.76 4 102.0 73.3
225 -6 4 2 33.301 66.601 0.356 4.6 4 19.3 2.5
226 -6 2 2 33.301 66.602 0.356 4.6 4 28.1 5.4
227 -4 6 2 33.319 66.638 0.357 4.59 4 29.6 6.0
228 4 2 2 33.32 66.639 0.357 4.59 4 23.2 3.7
229 -2 6 2 33.33 66.661 0.357 4.59 4 20.8 2.9
230 2 4 2 33.331 66.661 0.357 4.59 4 26.3 4.7
231 -5 4 3 33.456 66.911 0.358 4.55 4 23.5 3.7
232 -5 1 3 33.456 66.911 0.358 4.55 4 28.3 5.4
233 -4 5 3 33.464 66.928 0.358 4.55 4 29.3 5.8
234 4 1 3 33.464 66.928 0.358 4.55 4 23.8 3.8
235 -1 5 3 33.478 66.956 0.358 4.54 4 25.4 4.3
236 1 4 3 33.478 66.956 0.358 4.54 4 30.7 6.3
237 -4 2 4 34.108 68.216 0.364 4.37 4 29.5 5.6
238 -2 4 4 34.119 68.238 0.364 4.37 4 25.0 4.1
239 2 2 4 34.119 68.239 0.364 4.37 4 25.1 4.1
240 -6 6 0 34.512 69.024 0.368 4.26 2 37.8 4.5
241 6 0 0 34.513 69.026 0.368 4.26 2 38.2 4.6
242 0 6 0 34.545 69.091 0.368 4.26 2 35.4 4.0
243 -4 3 4 34.657 69.314 0.369 4.23 4 14.2 1.3
244 -4 1 4 34.657 69.315 0.369 4.23 4 23.6 3.5
245 -3 4 4 34.664 69.327 0.369 4.23 4 22.4 3.1
246 3 1 4 34.664 69.328 0.369 4.23 4 21.2 2.8
247 -1 4 4 34.671 69.342 0.369 4.23 4 14.7 1.4
248 1 3 4 34.671 69.342 0.369 4.23 4 25.2 4.0
249 -6 5 2 34.954 69.907 0.372 4.16 4 30.8 5.8
250 -6 1 2 34.954 69.908 0.372 4.16 4 25.6 4.0
251 -5 6 2 34.964 69.927 0.372 4.15 4 25.8 4.1
252 5 1 2 34.964 69.928 0.372 4.15 4 33.7 7.0
253 -1 6 2 34.986 69.971 0.372 4.15 4 30.1 5.6
254 1 5 2 34.986 69.972 0.372 4.15 4 24.9 3.8
255 -7 4 0 35.047 70.093 0.373 4.13 2 6.3 0.1
256 -7 3 0 35.047 70.094 0.373 4.13 2 31.3 3.0
257 -4 7 0 35.076 70.153 0.373 4.13 2 31.6 3.1
258 4 3 0 35.077 70.154 0.373 4.13 2 8.0 0.2
259 -3 7 0 35.083 70.166 0.373 4.13 2 7.0 0.2
260 3 4 0 35.083 70.167 0.373 4.12 2 32.5 3.2
261 -1 1 5 35.253 70.505 0.375 4.09 4 7.6 0.4
262 1 0 5 35.253 70.505 0.375 4.09 4 10.7 0.7
263 0 1 5 35.254 70.507 0.375 4.09 4 7.7 0.4
264 -6 6 1 35.304 70.608 0.375 4.07 4 10.0 0.6
265 6 0 1 35.304 70.609 0.375 4.07 4 10.0 0.6
266 0 6 1 35.337 70.674 0.375 4.07 4 7.0 0.3
267 -5 5 3 35.647 71.294 0.378 4.0 4 15.2 1.4
268 5 0 3 35.648 71.295 0.378 4.0 4 14.4 1.2
269 0 5 3 35.67 71.34 0.379 3.99 4 13.7 1.1
270 -7 4 1 35.833 71.666 0.38 3.96 4 1.5 0.0
271 -7 3 1 35.833 71.667 0.38 3.96 4 61.0 21.9
272 -4 7 1 35.863 71.725 0.38 3.95 4 58.9 20.3
273 4 3 1 35.863 71.727 0.38 3.95 4 12.9 1.0
274 -3 7 1 35.869 71.738 0.38 3.95 4 5.8 0.2
275 3 4 1 35.87 71.739 0.38 3.95 4 60.6 21.5
276 -7 5 0 36.128 72.256 0.383 3.89 2 40.8 4.8
277 -7 2 0 36.128 72.257 0.383 3.89 2 81.5 19.1
278 -5 7 0 36.149 72.299 0.383 3.89 2 81.2 19.0
279 5 2 0 36.15 72.3 0.383 3.89 2 41.3 4.9
280 -2 7 0 36.168 72.337 0.383 3.88 2 43.2 5.4
281 2 5 0 36.169 72.338 0.383 3.88 2 82.2 19.5
282 -4 4 4 36.282 72.563 0.384 3.86 4 59.0 19.9
283 4 0 4 36.282 72.564 0.384 3.86 4 60.9 21.3
284 0 4 4 36.296 72.592 0.384 3.86 4 60.6 21.0
285 -2 1 5 36.329 72.658 0.385 3.85 4 27.2 4.2
286 -1 2 5 36.331 72.663 0.385 3.85 4 26.6 4.0
287 1 1 5 36.331 72.663 0.385 3.85 4 32.4 6.0
288 -6 3 3 36.712 73.423 0.388 3.77 4 72.2 29.2
289 -3 6 3 36.735 73.471 0.388 3.77 4 71.2 28.3
290 3 3 3 36.736 73.472 0.388 3.77 4 72.0 29.0
291 -2 2 5 36.863 73.727 0.389 3.75 4 15.7 1.4
292 2 0 5 36.863 73.727 0.389 3.75 4 13.7 1.0
293 0 2 5 36.867 73.734 0.389 3.75 4 13.6 1.0
294 -7 5 1 36.905 73.81 0.39 3.74 4 66.3 24.4
295 -7 2 1 36.905 73.811 0.39 3.74 4 73.3 29.8
296 -5 7 1 36.926 73.852 0.39 3.73 4 74.4 30.7
297 5 2 1 36.927 73.854 0.39 3.73 4 65.5 23.7
298 -2 7 1 36.945 73.89 0.39 3.73 4 66.3 24.3
299 2 5 1 36.945 73.891 0.39 3.73 4 75.4 31.4
300 -6 4 3 37.244 74.488 0.393 3.67 4 45.5 11.3
301 -6 2 3 37.244 74.489 0.393 3.67 4 5.8 0.2
302 -4 6 3 37.262 74.523 0.393 3.67 4 8.5 0.4
303 4 2 3 37.262 74.524 0.393 3.67 4 45.6 11.3
304 -2 6 3 37.272 74.545 0.393 3.67 4 45.4 11.2
305 2 4 3 37.273 74.545 0.393 3.67 4 6.9 0.3
306 -6 6 2 37.636 75.273 0.396 3.61 4 83.5 37.3
307 6 0 2 37.637 75.274 0.396 3.61 4 83.0 36.8
308 0 6 2 37.668 75.337 0.397 3.6 4 85.1 38.7
309 -5 3 4 37.87 75.74 0.398 3.57 4 65.4 22.6
310 -5 2 4 37.87 75.74 0.398 3.57 4 31.3 5.2
311 -3 5 4 37.884 75.768 0.399 3.56 4 31.5 5.3
312 3 2 4 37.884 75.769 0.399 3.56 4 64.4 21.9
313 -2 5 4 37.888 75.777 0.399 3.56 4 63.8 21.5
314 2 3 4 37.889 75.777 0.399 3.56 4 33.3 5.8
315 -7 4 2 38.153 76.306 0.401 3.52 4 68.8 24.7
316 -7 3 2 38.153 76.306 0.401 3.52 4 42.3 9.4
317 -4 7 2 38.182 76.364 0.401 3.51 4 40.3 8.5
318 4 3 2 38.182 76.365 0.401 3.51 4 67.0 23.4
319 -3 7 2 38.188 76.376 0.401 3.51 4 69.4 25.1
320 3 4 2 38.189 76.377 0.401 3.51 4 40.5 8.6
321 -7 6 0 38.254 76.508 0.402 3.5 2 90.1 21.1
322 -7 1 0 38.255 76.509 0.402 3.5 2 90.6 21.3
323 -6 7 0 38.265 76.531 0.402 3.5 2 89.5 20.8
324 6 1 0 38.266 76.532 0.402 3.5 2 90.0 21.0
325 -1 7 0 38.296 76.593 0.402 3.5 2 92.1 22.0
326 1 6 0 38.297 76.593 0.402 3.5 2 89.5 20.8
327 -3 2 5 38.446 76.893 0.404 3.47 4 73.6 27.9
328 -3 1 5 38.446 76.893 0.404 3.47 4 93.3 44.8
329 -2 3 5 38.451 76.901 0.404 3.47 4 99.0 50.5
330 2 1 5 38.451 76.902 0.404 3.47 4 74.4 28.5
331 -1 3 5 38.453 76.907 0.404 3.47 4 73.6 27.9
332 1 2 5 38.453 76.907 0.404 3.47 4 93.0 44.5
333 -6 5 3 38.826 77.652 0.407 3.41 4 47.2 11.3
334 -6 1 3 38.826 77.653 0.407 3.41 4 83.1 35.0
335 -5 6 3 38.836 77.671 0.407 3.41 4 84.2 35.9
336 5 1 3 38.836 77.672 0.407 3.41 4 43.4 9.5
337 -1 6 3 38.857 77.713 0.407 3.41 4 43.6 9.6
338 1 5 3 38.857 77.714 0.407 3.41 4 82.1 34.1
339 -5 4 4 38.921 77.843 0.408 3.4 4 114.3 65.9
340 -5 1 4 38.922 77.843 0.408 3.4 4 99.6 50.0
341 -4 5 4 38.929 77.858 0.408 3.4 4 100.4 50.8
342 4 1 4 38.93 77.859 0.408 3.4 4 112.7 64.0
343 -1 5 4 38.942 77.885 0.408 3.4 4 115.1 66.8
344 1 4 4 38.943 77.885 0.408 3.4 4 98.7 49.1
345 -7 6 1 39.016 78.032 0.409 3.39 4 62.9 19.9
346 -7 1 1 39.016 78.033 0.409 3.39 4 58.8 17.3
347 -6 7 1 39.027 78.054 0.409 3.39 4 58.7 17.3
348 6 1 1 39.028 78.056 0.409 3.39 4 61.8 19.2
349 -1 7 1 39.058 78.116 0.409 3.38 4 62.3 19.5
350 1 6 1 39.058 78.116 0.409 3.38 4 57.9 16.8
351 -7 5 2 39.202 78.404 0.41 3.36 4 123.5 76.1
352 -7 2 2 39.202 78.405 0.41 3.36 4 75.8 28.6
353 -5 7 2 39.223 78.445 0.41 3.36 4 76.4 29.1
354 5 2 2 39.223 78.447 0.41 3.36 4 122.8 75.0
355 -2 7 2 39.241 78.482 0.411 3.36 4 121.6 73.6
356 2 5 2 39.242 78.483 0.411 3.36 4 74.8 27.8
357 -3 3 5 39.493 78.986 0.413 3.32 4 4.4 0.1
358 3 0 5 39.493 78.986 0.413 3.32 4 9.1 0.4
359 0 3 5 39.501 79.002 0.413 3.32 4 18.3 1.6
360 -8 4 0 40.848 81.696 0.425 3.15 2 147.6 51.0
361 -4 8 0 40.889 81.778 0.425 3.15 2 148.5 51.5
362 4 4 0 40.89 81.78 0.425 3.15 2 148.4 51.5
363 -5 5 4 41.001 82.002 0.426 3.14 4 36.6 6.2
364 5 0 4 41.001 82.003 0.426 3.14 4 36.2 6.1
365 0 5 4 41.023 82.045 0.426 3.14 4 35.4 5.8
366 -4 2 5 41.044 82.087 0.426 3.13 4 24.1 2.7
367 -2 4 5 41.054 82.108 0.426 3.13 4 22.7 2.4
368 2 2 5 41.054 82.108 0.426 3.13 4 28.1 3.7
369 -7 6 2 41.278 82.556 0.428 3.11 4 28.7 3.8
370 -7 1 2 41.279 82.557 0.428 3.11 4 17.8 1.5
371 -6 7 2 41.289 82.578 0.428 3.11 4 15.5 1.1
372 6 1 2 41.29 82.58 0.428 3.11 4 27.4 3.5
373 -1 7 2 41.32 82.639 0.429 3.1 4 30.3 4.2
374 1 6 2 41.32 82.639 0.429 3.1 4 14.4 1.0
375 -8 5 0 41.364 82.729 0.429 3.1 2 22.1 1.1
376 -8 3 0 41.365 82.729 0.429 3.1 2 29.3 2.0
377 -7 7 0 41.377 82.754 0.429 3.1 2 15.2 0.5
378 7 0 0 41.378 82.756 0.429 3.1 2 15.3 0.5
379 -5 8 0 41.398 82.795 0.429 3.1 2 29.8 2.0
380 5 3 0 41.399 82.797 0.429 3.1 2 22.4 1.2
381 -3 8 0 41.412 82.823 0.429 3.1 2 23.2 1.2
382 3 5 0 41.412 82.824 0.429 3.09 2 30.3 2.1
383 0 7 0 41.42 82.839 0.429 3.09 2 15.9 0.6
384 -6 6 3 41.423 82.846 0.429 3.09 4 5.5 0.1
385 6 0 3 41.424 82.847 0.429 3.09 4 1.9 0.0
386 0 6 3 41.454 82.909 0.43 3.09 4 8.4 0.3
387 -4 3 5 41.56 83.119 0.431 3.08 4 15.8 1.1
388 -4 1 5 41.56 83.12 0.431 3.08 4 12.0 0.7
389 -3 4 5 41.566 83.131 0.431 3.08 4 18.5 1.6
390 3 1 5 41.566 83.132 0.431 3.08 4 13.4 0.8
391 -1 4 5 41.573 83.145 0.431 3.08 4 15.7 1.1
392 1 3 5 41.573 83.146 0.431 3.08 4 11.8 0.6
393 -8 4 1 41.598 83.195 0.431 3.08 4 26.7 3.3
394 -4 8 1 41.639 83.277 0.431 3.07 4 28.0 3.6
395 4 4 1 41.639 83.279 0.431 3.07 4 25.6 3.0
396 -7 4 3 41.927 83.855 0.434 3.04 4 4.3 0.1
397 -7 3 3 41.928 83.855 0.434 3.04 4 61.3 17.0
398 -4 7 3 41.956 83.911 0.434 3.04 4 59.1 15.8
399 4 3 3 41.956 83.912 0.434 3.04 4 3.9 0.1
400 -3 7 3 41.962 83.923 0.434 3.04 4 6.1 0.2
401 3 4 3 41.962 83.924 0.434 3.04 4 60.1 16.3
402 -6 3 4 42.023 84.046 0.435 3.04 4 32.4 4.7
403 -3 6 4 42.046 84.092 0.435 3.03 4 39.9 7.1
404 3 3 4 42.046 84.093 0.435 3.03 4 33.1 4.9
405 -8 5 1 42.112 84.225 0.435 3.03 4 14.1 0.9
406 -8 3 1 42.113 84.225 0.435 3.03 4 22.0 2.2
407 -7 7 1 42.125 84.25 0.435 3.03 4 12.8 0.7
408 7 0 1 42.126 84.251 0.435 3.03 4 7.9 0.3
409 -5 8 1 42.146 84.291 0.436 3.03 4 18.0 1.5
410 5 3 1 42.146 84.293 0.436 3.02 4 10.5 0.5
411 -3 8 1 42.159 84.319 0.436 3.02 4 12.0 0.7
412 3 5 1 42.16 84.32 0.436 3.02 4 17.5 1.4
413 0 7 1 42.167 84.335 0.436 3.02 4 8.7 0.3
414 -6 4 4 42.537 85.074 0.439 2.99 4 75.8 25.5
415 -6 2 4 42.537 85.074 0.439 2.99 4 68.6 20.9
416 -4 6 4 42.554 85.108 0.439 2.99 4 71.6 22.7
417 4 2 4 42.554 85.109 0.439 2.99 4 76.7 26.1
418 -2 6 4 42.564 85.129 0.439 2.99 4 76.2 25.7
419 2 4 4 42.565 85.129 0.439 2.99 4 68.1 20.5
420 -8 6 0 42.907 85.815 0.442 2.96 2 56.6 7.0
421 -8 2 0 42.908 85.816 0.442 2.96 2 44.1 4.3
422 -6 8 0 42.931 85.863 0.442 2.96 2 43.5 4.2
423 6 2 0 42.932 85.864 0.442 2.96 2 54.2 6.5
424 -7 5 3 42.955 85.91 0.442 2.96 4 59.2 15.4
425 -7 2 3 42.955 85.911 0.442 2.96 4 66.7 19.5
426 -2 8 0 42.959 85.918 0.442 2.96 2 54.7 6.6
427 2 6 0 42.959 85.919 0.442 2.96 2 43.9 4.2
428 -5 7 3 42.975 85.951 0.442 2.96 4 68.5 20.5
429 5 2 3 42.976 85.952 0.442 2.96 4 61.0 16.3
430 -2 7 3 42.994 85.987 0.443 2.95 4 61.6 16.6
431 2 5 3 42.994 85.988 0.443 2.95 4 70.3 21.6
432 0 0 6 43.101 86.202 0.444 2.95 2 95.7 20.0
433 -4 4 5 43.102 86.204 0.444 2.95 4 8.1 0.3
434 4 0 5 43.102 86.204 0.444 2.95 4 11.7 0.6
435 0 4 5 43.116 86.231 0.444 2.95 4 9.5 0.4
436 -1 1 6 43.613 87.225 0.448 2.91 4 53.6 12.4
437 1 0 6 43.613 87.226 0.448 2.91 4 54.1 12.6
438 0 1 6 43.614 87.227 0.448 2.91 4 57.9 14.4
439 -8 6 1 43.652 87.304 0.448 2.91 4 23.8 2.4
440 -8 2 1 43.652 87.305 0.448 2.91 4 10.0 0.4
441 -6 8 1 43.676 87.351 0.448 2.91 4 12.6 0.7
442 6 2 1 43.677 87.353 0.448 2.91 4 26.6 3.0
443 -2 8 1 43.703 87.407 0.448 2.9 4 25.8 2.9
444 2 6 1 43.704 87.407 0.448 2.9 4 10.4 0.5
445 -8 4 2 43.834 87.669 0.45 2.89 4 31.5 4.3
446 -4 8 2 43.875 87.75 0.45 2.89 4 33.6 4.9
447 4 4 2 43.876 87.752 0.45 2.89 4 32.0 4.4
448 -6 5 4 44.075 88.15 0.452 2.88 4 33.5 4.8
449 -6 1 4 44.075 88.151 0.452 2.88 4 70.0 20.9
450 -5 6 4 44.084 88.169 0.452 2.88 4 68.9 20.2
451 5 1 4 44.085 88.17 0.452 2.88 4 36.2 5.6
452 -1 6 4 44.105 88.21 0.452 2.88 4 35.5 5.4
453 1 5 4 44.105 88.21 0.452 2.88 4 71.5 21.8
454 -8 5 2 44.346 88.693 0.454 2.86 4 80.5 27.5
455 -8 3 2 44.347 88.693 0.454 2.86 4 85.3 30.9
456 -7 7 2 44.359 88.718 0.454 2.86 4 52.5 11.7
457 7 0 2 44.36 88.719 0.454 2.86 4 51.7 11.3
458 -5 8 2 44.379 88.759 0.454 2.86 4 85.9 31.3
459 5 3 2 44.38 88.76 0.454 2.86 4 81.9 28.4
460 -3 8 2 44.393 88.786 0.454 2.86 4 81.7 28.3
461 3 5 2 44.394 88.788 0.454 2.86 4 85.3 30.9
462 0 7 2 44.401 88.802 0.454 2.86 4 51.3 11.2
463 -5 3 5 44.631 89.262 0.456 2.85 4 71.0 21.3
464 -5 2 5 44.631 89.262 0.456 2.85 4 62.3 16.4
465 -2 1 6 44.634 89.269 0.456 2.85 4 98.7 41.2
466 -1 2 6 44.637 89.274 0.456 2.85 4 101.3 43.3
467 1 1 6 44.637 89.274 0.456 2.85 4 103.0 44.8
468 -3 5 5 44.645 89.289 0.456 2.85 4 60.6 15.5
469 3 2 5 44.645 89.29 0.456 2.85 4 69.7 20.5
470 -2 5 5 44.649 89.298 0.456 2.85 4 70.3 20.9
471 2 3 5 44.649 89.298 0.456 2.85 4 62.0 16.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 1 0 5.423 10.846 8.15026 58.9 1.3 1.3 5.6
2 0 1 1 8.51 17.021 5.20495 96.6 2.1 2.1 5.6
3 -2 1 0 9.411 18.822 4.7108 136.8 2.9 2.9 5.6
4 0 2 0 10.896 21.791 4.07513 1214.5 25.8 26.1 5.6
5 -2 1 1 11.494 22.988 3.86565 732.3 15.6 15.7 5.6
6 0 0 2 13.165 26.331 3.38195 747.5 15.9 16.0 5.6
7 0 1 2 14.276 28.552 3.1237 1387.3 29.5 29.6 5.6
8 1 2 0 14.479 28.958 3.08086 1493.5 31.8 31.9 5.6
9 1 2 1 15.946 31.892 2.80372 4698.4 100.0 100.0 5.6
10 1 1 2 16.288 32.575 2.74649 2656.2 56.5 56.5 5.6
11 -3 3 0 16.457 32.913 2.71904 2098.6 44.7 44.6 5.6
12 2 0 2 17.21 34.421 2.60335 295.5 6.3 6.3 5.7
13 0 3 1 17.791 35.582 2.521 55.1 1.2 1.2 5.7
14 -1 3 2 19.768 39.536 2.27753 89.9 1.9 1.9 5.7
15 -1 4 0 19.922 39.844 2.26063 320.1 6.8 6.8 5.7
16 -4 2 1 20.26 40.521 2.22439 74.1 1.6 1.6 5.7
17 -1 4 1 21.055 42.11 2.14405 73.5 1.6 1.5 5.7
18 0 3 2 21.326 42.653 2.118 131.5 2.8 2.8 5.7
19 -4 4 0 22.193 44.385 2.03928 198.4 4.2 4.2 5.7
20 1 1 3 22.26 44.521 2.03339 400.9 8.5 8.4 5.7
21 0 2 3 22.982 45.965 1.97282 58.8 1.3 1.2 5.7
22 -4 2 2 23.486 46.972 1.93283 1377.0 29.3 28.9 5.7
23 -4 3 2 24.178 48.357 1.88067 772.0 16.4 16.2 5.7
24 3 2 0 24.318 48.636 1.87052 247.5 5.3 5.2 5.7
25 1 2 3 25.047 50.093 1.81946 1340.0 28.5 28.0 5.7
26 2 3 1 25.299 50.598 1.80249 821.5 17.5 17.2 5.8
27 -1 5 0 25.663 51.326 1.77861 844.6 18.0 17.6 5.8
28 4 0 2 26.173 52.346 1.74634 1079.7 23.0 22.5 5.8
29 0 0 4 27.099 54.197 1.69098 553.2 11.8 11.5 5.8
30 2 3 2 28.078 56.155 1.63657 102.6 2.2 2.1 5.8
31 1 4 2 29.296 58.592 1.57418 55.4 1.2 1.1 5.8
32 0 2 4 29.55 59.1 1.56185 91.6 2.0 1.9 5.8
33 4 2 0 29.991 59.982 1.54098 223.8 4.8 4.6 5.8
34 -6 3 1 30.238 60.475 1.52959 273.0 5.8 5.6 5.8
35 1 2 4 31.307 62.615 1.48237 287.6 6.1 5.9 5.8
36 0 5 2 31.64 63.279 1.46839 412.2 8.8 8.5 5.9
37 5 1 0 31.726 63.452 1.4648 101.4 2.2 2.1 5.9
38 2 3 3 32.353 64.707 1.4394 306.2 6.5 6.3 5.9
39 0 3 4 32.449 64.899 1.4356 361.7 7.7 7.4 5.9
40 -5 6 1 32.55 65.101 1.43164 278.0 5.9 5.7 5.9
41 3 3 2 32.766 65.533 1.42325 219.9 4.7 4.5 5.9
42 5 2 0 36.15 72.3 1.30577 72.7 1.5 1.5 5.9
43 0 4 4 36.296 72.592 1.30124 62.2 1.3 1.3 6.0
44 -6 3 3 36.712 73.423 1.28855 86.5 1.8 1.7 6.0
45 -5 7 1 36.926 73.852 1.28212 164.3 3.5 3.3 6.0
46 -6 6 2 37.636 75.273 1.26142 74.1 1.6 1.5 6.0
47 -5 3 4 37.87 75.74 1.25479 82.2 1.8 1.6 6.0
48 -7 4 2 38.153 76.306 1.24688 65.9 1.4 1.3 6.0
49 -7 1 0 38.255 76.509 1.24408 84.2 1.8 1.7 6.0
50 1 2 5 38.453 76.907 1.23863 224.1 4.8 4.5 6.0
51 -5 6 3 38.836 77.671 1.22835 135.4 2.9 2.7 6.0
52 -1 5 4 38.942 77.885 1.22551 346.6 7.4 6.9 6.0
53 -7 6 1 39.016 78.032 1.22357 73.7 1.6 1.5 6.0
54 -7 5 2 39.202 78.404 1.21869 208.8 4.4 4.2 6.0
55 -2 7 2 39.241 78.482 1.21767 101.4 2.2 2.0 6.0
56 -8 4 0 40.848 81.696 1.1777 51.0 1.1 1.0 6.1
57 -4 8 0 40.889 81.778 1.17672 103.0 2.2 2.0 6.1
58 -2 6 4 42.564 85.129 1.13877 141.4 3.0 2.8 6.1
59 5 2 3 42.976 85.952 1.12995 120.7 2.6 2.4 6.1
60 1 5 4 44.105 88.21 1.10676 78.8 1.7 1.5 6.2
61 -8 3 2 44.347 88.693 1.10198 81.5 1.7 1.6 6.2
62 -5 8 2 44.379 88.759 1.10133 130.1 2.8 2.5 6.2
63 1 1 6 44.637 89.274 1.09631 240.0 5.1 4.7 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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