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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GATEHOUSEITE
4, t-arsenoclasite, analogue
Co(5)(OH)(4)[PO(4)](2)
Orthorhombic P 2(1)2(1)2(1) Z = 4
P2(1)2(1)2(1)
26 .1 .12
Ref.Str.:
Ruszala F.A., Anderson J.B., Kostiner E. (1977)
* Inorg. Chem., 16, 2417-2422
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.903 alpha = 90.0
b = 17.397 beta = 90.0
c = 5.5154 gamma = 90.0
Unit cell volume (cub. angs.) = 854.26
Molar volume ( cub.cm/mol.) = 128.64
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3772 0.126 0.4463 0.0 Co = 1.00
2 0.3815 0.0321 0.9533 0.0 Co = 1.00
3 0.3566 0.2217 0.9309 0.0 Co = 1.00
4 0.7496 0.9313 0.7671 0.0 Co = 1.00
5 0.5066 0.8219 0.0864 0.0 Co = 1.00
6 0.6801 0.1203 0.8106 0.0 P = 1.00
7 0.4293 0.8718 0.625 0.0 P = 1.00
8 0.7422 0.8582 0.0679 0.0 O = 1.00
9 0.5076 0.1227 0.7788 0.0 O = 1.00
10 0.7277 0.1735 0.0213 0.0 O = 1.00
11 0.7273 0.0399 0.8966 0.0 O = 1.00
12 0.2557 0.8731 0.6203 0.0 O = 1.00
13 0.4972 0.9293 0.811 0.0 O = 1.00
14 0.4843 0.8905 0.3711 0.0 O = 1.00
15 0.4815 0.7928 0.722 0.0 O = 1.00
16 0.4666 0.2199 0.2531 0.0 OH = 1.00
17 0.2615 0.7972 0.1215 0.0 OH = 1.00
18 0.2576 0.0412 0.6385 0.0 OH = 1.00
19 0.5159 0.0512 0.2675 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3772 0.126 0.4463
2 2 0.3815 0.0321 0.9533
3 3 0.3566 0.2217 0.9309
4 4 0.7496 0.9313 0.7671
5 5 0.5066 0.8219 0.0864
6 6 0.6801 0.1203 0.8106
7 7 0.4293 0.8718 0.625
8 8 0.7422 0.8582 0.0679
9 9 0.5076 0.1227 0.7788
10 10 0.7277 0.1735 0.0213
11 11 0.7273 0.0399 0.8966
12 12 0.2557 0.8731 0.6203
13 13 0.4972 0.9293 0.811
14 14 0.4843 0.8905 0.3711
15 15 0.4815 0.7928 0.722
16 16 0.4666 0.2199 0.2531
17 17 0.2615 0.7972 0.1215
18 18 0.2576 0.0412 0.6385
19 19 0.5159 0.0512 0.2675
20 1 0.1228 0.874 0.9463
21 2 0.1185 0.9679 0.4533
22 3 0.1434 0.7783 0.4309
23 4 0.7504 0.0687 0.2671
24 5 0.9934 0.1781 0.5864
25 6 0.8199 0.8797 0.3106
26 7 0.0707 0.1282 0.125
27 8 0.7578 0.1418 0.5679
28 9 0.9924 0.8773 0.2788
29 10 0.7723 0.8265 0.5213
30 11 0.7727 0.9601 0.3966
31 12 0.2443 0.1269 0.1203
32 13 0.0028 0.0707 0.311
33 14 0.0157 0.1095 0.8711
34 15 0.0185 0.2072 0.222
35 16 0.0334 0.7801 0.7531
36 17 0.2385 0.2028 0.6215
37 18 0.2424 0.9588 0.1385
38 19 0.9841 0.9488 0.7675
39 1 0.6228 0.626 0.0537
40 2 0.6185 0.5321 0.5467
41 3 0.6434 0.7217 0.5691
42 4 0.2504 0.4313 0.7329
43 5 0.4934 0.3219 0.4136
44 6 0.3199 0.6203 0.6894
45 7 0.5707 0.3718 0.875
46 8 0.2578 0.3582 0.4321
47 9 0.4924 0.6227 0.7212
48 10 0.2723 0.6735 0.4787
49 11 0.2727 0.5399 0.6034
50 12 0.7443 0.3731 0.8797
51 13 0.5028 0.4293 0.689
52 14 0.5157 0.3905 0.1289
53 15 0.5185 0.2928 0.778
54 16 0.5334 0.7199 0.2469
55 17 0.7385 0.2972 0.3785
56 18 0.7424 0.5412 0.8615
57 19 0.4841 0.5512 0.2325
58 1 0.8772 0.374 0.5537
59 2 0.8815 0.4679 0.0467
60 3 0.8566 0.2783 0.0691
61 4 0.2496 0.5687 0.2329
62 5 0.0066 0.6781 0.9136
63 6 0.1801 0.3797 0.1894
64 7 0.9293 0.6282 0.375
65 8 0.2422 0.6418 0.9321
66 9 0.0076 0.3773 0.2212
67 10 0.2277 0.3265 0.9787
68 11 0.2273 0.4601 0.1034
69 12 0.7557 0.6269 0.3797
70 13 0.9972 0.5707 0.189
71 14 0.9843 0.6095 0.6289
72 15 0.9815 0.7072 0.278
73 16 0.9666 0.2801 0.7469
74 17 0.7615 0.7028 0.8785
75 18 0.7576 0.4588 0.3615
76 19 0.0159 0.4488 0.7325
X-ray density (g/cm cub.) = 4.3
MU (1/cm) = 770.093 Mass attenuation coefficient (cm**2/g) = 179.278
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co 2.616 6
2.1712 9
2.1069 16
2.1053 18
2.0468 19
2.1525 12
2.0604 17
2 Co 2.616 6
2.1618 9
2.2075 13
2.0632 18
2.1321 19
2.25 12
2.0497 18
3 Co 2.616 6
2.3408 9
2.0293 16
2.1937 12
2.0313 17
2.0779 15
2.1699 10
4 Co 2.616 6
2.0914 8
2.0295 11
2.2604 13
2.281 10
2.114 11
2.1098 19
5 Co 2.616 6
2.1929 8
2.4094 13
1.9823 14
2.0846 15
2.2324 17
1.9973 16
6 P 2.28 4
1.5463 9
1.5449 10
1.5356 11
1.5525 8
7 P 2.28 4
1.5459 12
1.5551 13
1.5188 14
1.5463 15
8 O 3.312 11
3.3019 11
2.8802 13
2.8956 14
3.2127 15
2.5348 9
2.5748 10
3.0764 10
2.5501 11
3.1413 19
3.1968 16
2.9034 17
9 O 3.312 10
2.5317 10
2.5146 11
3.1362 16
2.7501 18
2.9695 19
3.0831 19
2.5348 8
3.008 12
2.9042 17
2.9608 15
10 O 3.312 11
2.5317 9
2.4239 11
2.773 16
3.1506 19
3.0764 8
2.5748 8
2.9155 14
2.8761 15
3.0947 15
2.9192 17
3.2021 16
11 O 3.312 10
3.3019 8
2.5146 9
2.4239 10
2.8499 13
2.7867 19
2.5501 8
3.1138 11
3.1138 11
2.8423 14
2.8716 19
12 O 3.312 11
2.5855 13
2.4744 14
2.5115 15
3.0639 17
3.052 17
2.9262 18
3.008 9
2.6592 16
3.2258 18
3.0493 18
2.8706 19
13 O 3.312 9
2.8802 8
2.8499 11
2.5855 12
3.1641 14
2.521 14
2.4289 15
3.0406 18
3.2961 19
2.9448 18
14 O 3.312 11
2.8956 8
2.4744 12
2.521 13
3.1641 13
2.5759 15
2.9094 17
2.8673 19
2.9155 10
2.8423 11
2.7741 18
3.0772 16
15 O 3.312 11
3.2127 8
2.5115 12
2.4289 13
2.5759 14
2.9491 17
2.8761 10
2.9608 9
3.0947 10
3.1942 16
2.9476 16
3.0677 17
16 OH 3.36 11
3.1362 9
2.773 10
2.9686 19
2.6592 12
2.8881 17
3.1968 8
3.0772 14
3.1942 15
2.9476 15
2.8542 17
3.2021 10
17 OH 3.36 11
3.052 12
3.0639 12
2.9094 14
2.9491 15
2.9042 9
2.8881 16
2.8181 18
2.9192 10
2.8542 16
2.9034 8
3.0677 15
18 OH 3.36 12
2.7501 9
2.9262 12
3.0406 13
3.0831 19
3.0493 12
3.2258 12
2.9448 13
2.7741 14
2.8181 17
3.111 18
3.111 18
3.0032 19
19 OH 3.36 12
3.0831 9
2.9695 9
3.1506 10
2.7867 11
3.2961 13
2.8673 14
2.9686 16
3.0831 18
3.1413 8
2.8716 11
2.8706 12
3.0032 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 0 2 0 5.08 10.161 0.057 252.07 2 0.5 0.0
2 1 1 0 5.577 11.155 0.063 208.76 4 11.9 16.3
3 1 2 0 7.112 14.223 0.08 127.53 4 6.6 3.0
4 0 1 1 8.425 16.85 0.095 90.23 4 21.5 22.9
5 1 3 0 9.121 18.242 0.103 76.66 4 34.6 50.3
6 1 0 1 9.456 18.912 0.107 71.18 4 37.6 55.2
7 0 2 1 9.519 19.037 0.107 70.21 4 20.7 16.5
8 1 1 1 9.797 19.593 0.11 66.16 8 42.0 128.2
9 2 0 0 9.965 19.929 0.112 63.88 2 12.8 2.9
10 0 4 0 10.201 20.403 0.115 60.85 2 139.8 325.9
11 2 1 0 10.289 20.578 0.116 59.78 4 99.2 322.3
12 1 2 1 10.756 21.513 0.121 54.52 8 24.3 35.3
13 0 3 1 11.113 22.225 0.125 50.94 4 12.5 4.3
14 2 2 0 11.209 22.417 0.126 50.04 4 91.1 227.6
15 1 4 0 11.368 22.736 0.128 48.59 4 97.5 252.9
16 1 3 1 12.197 24.393 0.137 41.93 8 20.8 20.0
17 2 3 0 12.6 25.2 0.142 39.16 4 36.5 28.6
18 2 0 1 12.848 25.696 0.144 37.59 4 7.6 1.2
19 0 4 1 13.035 26.07 0.146 36.46 4 105.2 221.2
20 2 1 1 13.105 26.21 0.147 36.05 8 56.0 123.7
21 1 5 0 13.75 27.5 0.154 32.56 4 106.7 203.1
22 2 2 1 13.848 27.696 0.155 32.07 8 15.3 8.2
23 1 4 1 13.979 27.959 0.157 31.44 8 16.9 9.8
24 2 4 0 14.336 28.672 0.161 29.79 4 14.2 3.3
25 2 3 1 15.012 30.024 0.168 27.0 8 44.2 57.8
26 0 5 1 15.174 30.348 0.17 26.38 4 139.4 281.0
27 3 1 0 15.266 30.533 0.171 26.04 4 216.1 666.6
28 0 6 0 15.406 30.812 0.172 25.54 2 13.6 1.3
29 3 2 0 15.917 31.834 0.178 23.81 4 223.9 654.4
30 1 5 1 16.003 32.005 0.179 23.53 8 236.6 1443.6
31 0 0 2 16.22 32.439 0.181 22.86 2 36.5 8.4
32 1 6 0 16.224 32.448 0.181 22.84 4 39.0 19.0
33 2 5 0 16.319 32.638 0.182 22.56 4 100.8 125.6
34 0 1 2 16.428 32.856 0.184 22.23 4 67.0 54.6
35 2 4 1 16.516 33.031 0.185 21.98 8 220.5 1171.7
36 3 3 0 16.952 33.904 0.189 20.77 4 41.8 19.9
37 1 0 2 17.002 34.005 0.19 20.63 4 19.1 4.1
38 0 2 2 17.039 34.078 0.19 20.54 4 64.9 47.4
39 3 0 1 17.142 34.285 0.191 20.27 4 92.0 94.1
40 1 1 2 17.202 34.405 0.192 20.12 8 211.3 984.5
41 3 1 1 17.341 34.681 0.193 19.77 8 69.8 105.5
42 0 6 1 17.466 34.931 0.195 19.46 4 15.8 2.7
43 1 2 2 17.79 35.58 0.198 18.69 8 56.7 65.9
44 3 2 1 17.924 35.849 0.2 18.39 8 28.1 16.0
45 0 3 2 18.017 36.033 0.201 18.18 4 104.2 108.2
46 1 6 1 18.201 36.402 0.203 17.78 8 68.7 92.0
47 2 5 1 18.287 36.574 0.204 17.6 8 67.8 88.8
48 3 4 0 18.314 36.628 0.204 17.54 4 70.3 47.5
49 2 6 0 18.484 36.969 0.206 17.19 4 57.5 31.2
50 1 3 2 18.734 37.467 0.208 16.69 8 19.9 7.2
51 1 7 0 18.771 37.542 0.209 16.61 4 21.0 4.0
52 3 3 1 18.862 37.724 0.21 16.44 8 86.1 133.5
53 2 0 2 19.182 38.365 0.213 15.84 4 16.2 2.3
54 0 4 2 19.313 38.627 0.215 15.6 4 26.7 6.1
55 2 1 2 19.363 38.725 0.215 15.51 8 109.8 205.2
56 0 7 1 19.874 39.748 0.221 14.64 4 10.6 0.9
57 2 2 2 19.895 39.79 0.221 14.61 8 100.8 162.6
58 3 5 0 19.947 39.893 0.221 14.52 4 47.7 18.1
59 1 4 2 19.991 39.981 0.222 14.45 8 49.7 39.2
60 3 4 1 20.112 40.225 0.223 14.26 8 31.0 15.1
61 4 0 0 20.248 40.495 0.225 14.05 2 151.6 88.4
62 2 6 1 20.27 40.54 0.225 14.01 8 60.5 56.3
63 4 1 0 20.42 40.84 0.226 13.78 4 5.7 0.2
64 1 7 1 20.535 41.071 0.228 13.61 8 117.6 206.4
65 0 8 0 20.745 41.49 0.23 13.3 2 0.2 0.0
66 2 3 2 20.757 41.514 0.23 13.29 8 72.1 75.7
67 2 7 0 20.792 41.583 0.23 13.24 4 38.8 10.9
68 0 5 2 20.88 41.76 0.231 13.11 4 67.2 32.5
69 4 2 0 20.93 41.86 0.232 13.04 4 4.2 0.1
70 1 8 0 21.385 42.769 0.237 12.43 4 2.9 0.1
71 1 5 2 21.516 43.032 0.238 12.26 8 77.2 80.1
72 3 5 1 21.631 43.262 0.239 12.11 8 53.2 37.7
73 4 3 0 21.758 43.517 0.241 11.96 4 12.9 1.1
74 3 6 0 21.803 43.605 0.241 11.9 4 42.4 11.8
75 4 0 1 21.913 43.825 0.242 11.77 4 26.7 4.6
76 2 4 2 21.917 43.835 0.242 11.76 8 35.6 16.3
77 4 1 1 22.074 44.149 0.244 11.57 8 91.0 105.0
78 0 8 1 22.38 44.76 0.247 11.22 4 52.2 16.8
79 3 0 2 22.414 44.828 0.248 11.18 4 132.4 107.5
80 2 7 1 22.424 44.848 0.248 11.17 8 79.5 77.4
81 4 2 1 22.554 45.108 0.249 11.03 8 53.2 34.2
82 3 1 2 22.573 45.146 0.249 11.01 8 51.7 32.2
83 0 6 2 22.674 45.347 0.25 10.9 4 145.9 127.2
84 4 4 0 22.877 45.755 0.252 10.68 4 69.3 28.1
85 1 8 1 22.983 45.966 0.253 10.57 8 55.5 35.6
86 3 2 2 23.045 46.089 0.254 10.5 8 87.6 88.3
87 2 8 0 23.217 46.435 0.256 10.33 4 6.3 0.2
88 1 6 2 23.27 46.541 0.256 10.27 8 33.9 13.0
89 4 3 1 23.336 46.673 0.257 10.21 8 69.2 53.6
90 2 5 2 23.341 46.681 0.257 10.2 8 53.1 31.5
91 3 6 1 23.378 46.757 0.258 10.17 8 155.9 270.9
92 3 3 2 23.814 47.629 0.262 9.75 8 50.6 27.4
93 3 7 0 23.845 47.69 0.262 9.72 4 4.0 0.1
94 1 9 0 24.065 48.13 0.265 9.52 4 149.2 116.2
95 4 5 0 24.257 48.514 0.267 9.35 4 9.9 0.5
96 4 4 1 24.399 48.798 0.268 9.23 8 92.7 87.0
97 0 7 2 24.66 49.32 0.271 9.01 4 57.6 16.4
98 2 8 1 24.723 49.445 0.271 8.95 8 81.5 65.3
99 3 4 2 24.861 49.723 0.273 8.84 8 55.1 29.5
100 0 1 3 24.917 49.835 0.273 8.8 4 27.2 3.6
101 0 9 1 24.977 49.954 0.274 8.75 4 84.3 34.1
102 2 6 2 24.995 49.99 0.274 8.73 8 32.3 10.0
103 1 7 2 25.221 50.441 0.277 8.56 8 71.5 47.9
104 3 7 1 25.322 50.645 0.278 8.48 8 61.9 35.7
105 1 0 3 25.329 50.659 0.278 8.47 4 26.2 3.2
106 0 2 3 25.356 50.711 0.278 8.45 4 85.5 33.9
107 1 1 3 25.474 50.948 0.279 8.36 8 16.7 2.5
108 1 9 1 25.533 51.066 0.28 8.32 8 116.8 124.4
109 4 5 1 25.716 51.433 0.282 8.19 8 117.2 123.2
110 2 9 0 25.75 51.499 0.282 8.16 4 70.0 21.9
111 5 1 0 25.776 51.552 0.282 8.14 4 96.8 41.9
112 4 6 0 25.867 51.734 0.283 8.08 4 0.8 0.0
113 1 2 3 25.905 51.811 0.284 8.05 8 43.6 16.7
114 3 8 0 26.049 52.097 0.285 7.95 4 5.2 0.1
115 0 3 3 26.074 52.148 0.285 7.93 4 44.7 8.7
116 3 5 2 26.162 52.324 0.286 7.87 8 73.1 46.1
117 5 2 0 26.204 52.408 0.287 7.84 4 71.4 21.9
118 0 10 0 26.28 52.561 0.287 7.79 2 41.2 3.6
119 4 0 2 26.406 52.813 0.289 7.71 4 207.2 181.4
120 4 1 2 26.547 53.094 0.29 7.61 8 81.2 55.0
121 1 3 3 26.613 53.226 0.291 7.57 8 136.9 155.6
122 0 8 2 26.814 53.628 0.293 7.44 4 70.8 20.4
123 1 10 0 26.817 53.634 0.293 7.44 4 197.1 158.5
124 2 7 2 26.852 53.704 0.293 7.42 8 11.5 1.1
125 5 3 0 26.906 53.812 0.294 7.39 4 21.6 1.9
126 2 0 3 26.956 53.912 0.294 7.35 4 69.5 19.5
127 4 2 2 26.966 53.932 0.294 7.35 8 88.4 62.9
128 5 0 1 27.038 54.076 0.295 7.3 4 7.7 0.2
129 0 4 3 27.057 54.114 0.295 7.29 4 4.9 0.1
130 2 1 3 27.095 54.189 0.296 7.27 8 51.5 21.2
131 2 9 1 27.151 54.302 0.296 7.23 8 45.2 16.2
132 5 1 1 27.176 54.353 0.296 7.22 8 37.5 11.1
133 4 6 1 27.264 54.528 0.297 7.17 8 110.7 96.3
134 1 8 2 27.343 54.686 0.298 7.12 8 21.6 3.7
135 3 8 1 27.439 54.878 0.299 7.06 8 37.8 11.0
136 2 2 3 27.508 55.016 0.3 7.02 8 25.8 5.1
137 1 4 3 27.583 55.166 0.301 6.98 8 124.8 119.1
138 5 2 1 27.589 55.178 0.301 6.98 8 55.8 23.9
139 4 3 2 27.655 55.31 0.301 6.94 8 109.7 91.6
140 0 10 1 27.663 55.326 0.301 6.93 4 78.0 23.1
141 4 7 0 27.683 55.365 0.302 6.92 4 31.6 3.8
142 3 6 2 27.692 55.384 0.302 6.92 8 63.7 30.8
143 5 4 0 27.869 55.737 0.303 6.82 4 40.8 6.2
144 1 10 1 28.181 56.363 0.307 6.65 8 49.5 17.8
145 2 3 3 28.188 56.376 0.307 6.64 8 14.9 1.6
146 5 3 1 28.268 56.535 0.307 6.6 8 169.1 207.0
147 0 5 3 28.286 56.572 0.308 6.59 4 152.9 84.4
148 2 10 0 28.384 56.768 0.309 6.54 4 60.7 13.2
149 3 9 0 28.396 56.793 0.309 6.53 4 20.7 1.5
150 4 4 2 28.601 57.201 0.311 6.43 8 45.3 14.5
151 1 5 3 28.797 57.594 0.313 6.33 8 66.7 30.9
152 2 8 2 28.891 57.782 0.314 6.28 8 46.1 14.6
153 4 7 1 29.02 58.04 0.315 6.22 8 140.4 134.5
154 5 5 0 29.075 58.15 0.315 6.19 4 31.0 3.3
155 0 9 2 29.12 58.239 0.316 6.17 4 92.4 28.9
156 2 4 3 29.122 58.245 0.316 6.17 8 108.6 79.8
157 5 4 1 29.2 58.4 0.317 6.13 8 42.0 11.9
158 3 7 2 29.431 58.862 0.319 6.03 8 128.7 109.5
159 3 0 3 29.529 59.058 0.32 5.98 4 100.3 33.0
160 1 9 2 29.621 59.243 0.321 5.94 8 64.2 26.9
161 1 11 0 29.648 59.296 0.321 5.93 4 111.0 40.0
162 3 1 3 29.66 59.319 0.321 5.92 8 24.2 3.8
163 4 8 0 29.684 59.368 0.321 5.91 4 200.8 130.7
164 2 10 1 29.701 59.401 0.322 5.9 8 115.0 85.6
165 3 9 1 29.713 59.425 0.322 5.9 8 91.8 54.5
166 0 6 3 29.743 59.485 0.322 5.89 4 314.1 318.3
167 4 5 2 29.788 59.576 0.322 5.87 8 103.3 68.6
168 3 2 3 30.05 60.1 0.325 5.75 8 59.9 22.6
169 1 6 3 30.238 60.476 0.327 5.67 8 81.4 41.2
170 2 5 3 30.297 60.593 0.327 5.65 8 83.4 43.0
171 5 5 1 30.373 60.745 0.328 5.62 8 47.6 13.9
172 0 11 1 30.442 60.885 0.329 5.59 4 86.4 22.8
173 5 6 0 30.508 61.016 0.33 5.56 4 71.4 15.5
174 3 3 3 30.694 61.387 0.331 5.49 8 53.8 17.4
175 3 10 0 30.88 61.759 0.333 5.41 4 75.7 17.0
176 1 11 1 30.931 61.862 0.334 5.39 8 86.8 44.6
177 4 8 1 30.966 61.932 0.334 5.38 8 64.1 24.3
178 5 0 2 30.993 61.986 0.334 5.37 4 135.5 54.0
179 2 9 2 31.097 62.193 0.335 5.33 8 92.2 49.6
180 5 1 2 31.12 62.24 0.335 5.32 8 30.1 5.3
181 2 11 0 31.122 62.245 0.336 5.32 4 59.7 10.4
182 4 6 2 31.201 62.401 0.336 5.29 8 121.1 85.0
183 6 0 0 31.273 62.546 0.337 5.26 2 9.1 0.1
184 3 8 2 31.362 62.723 0.338 5.23 8 38.0 8.3
185 6 1 0 31.399 62.799 0.338 5.22 4 126.6 45.8
186 0 7 3 31.41 62.82 0.338 5.21 4 146.4 61.2
187 5 2 2 31.5 62.999 0.339 5.18 8 93.9 50.1
188 0 10 2 31.568 63.136 0.34 5.16 4 8.8 0.2
189 3 4 3 31.582 63.164 0.34 5.15 8 72.6 29.7
190 2 6 3 31.696 63.392 0.341 5.11 8 10.2 0.6
191 5 6 1 31.77 63.541 0.342 5.09 8 181.3 183.2
192 6 2 0 31.777 63.554 0.342 5.08 4 106.5 31.6
193 4 9 0 31.856 63.713 0.343 5.06 4 6.0 0.1
194 1 7 3 31.89 63.78 0.343 5.04 8 35.7 7.1
195 1 10 2 32.047 64.093 0.344 4.99 8 68.4 25.6
196 0 12 0 32.095 64.189 0.345 4.97 2 223.5 68.1
197 5 3 2 32.127 64.253 0.345 4.96 8 88.9 43.0
198 3 10 1 32.134 64.268 0.345 4.96 8 30.6 5.1
199 5 7 0 32.152 64.304 0.345 4.95 4 70.4 13.5
200 2 11 1 32.371 64.743 0.348 4.88 8 34.1 6.2
201 6 3 0 32.401 64.802 0.348 4.87 4 79.7 17.0
202 6 0 1 32.519 65.037 0.349 4.83 4 96.5 24.7
203 1 12 0 32.569 65.138 0.349 4.82 4 53.2 7.5
204 6 1 1 32.642 65.285 0.35 4.8 8 8.4 0.4
205 3 5 3 32.704 65.408 0.351 4.78 8 133.8 93.7
206 4 7 2 32.825 65.65 0.352 4.74 8 53.4 14.8
207 4 0 3 32.917 65.834 0.353 4.71 4 1.7 0.0
208 5 4 2 32.993 65.987 0.353 4.69 8 30.3 4.7
209 6 2 1 33.012 66.024 0.354 4.68 8 106.1 57.8
210 4 1 3 33.04 66.08 0.354 4.67 8 20.2 2.1
211 4 9 1 33.09 66.18 0.354 4.66 8 20.2 2.1
212 6 4 0 33.264 66.528 0.356 4.61 4 15.5 0.6
213 0 8 3 33.274 66.548 0.356 4.6 4 11.9 0.4
214 2 7 3 33.308 66.615 0.356 4.59 8 53.7 14.5
215 0 12 1 33.324 66.647 0.357 4.59 4 119.3 35.8
216 5 7 1 33.38 66.76 0.357 4.57 8 47.4 11.3
217 4 2 3 33.408 66.816 0.357 4.56 8 131.9 87.1
218 2 10 2 33.461 66.921 0.358 4.55 8 108.8 59.0
219 3 9 2 33.472 66.944 0.358 4.55 8 70.3 24.6
220 3 11 0 33.497 66.993 0.358 4.54 4 105.7 27.8
221 6 3 1 33.624 67.248 0.359 4.5 8 28.9 4.1
222 1 8 3 33.74 67.48 0.361 4.47 8 21.3 2.2
223 1 12 1 33.789 67.578 0.361 4.46 8 66.5 21.6
224 0 0 4 33.962 67.924 0.363 4.41 2 2.6 0.0
225 2 12 0 33.972 67.944 0.363 4.41 4 15.0 0.5
226 5 8 0 33.994 67.989 0.363 4.4 4 23.9 1.4
227 4 3 3 34.016 68.032 0.363 4.39 8 31.6 4.8
228 3 6 3 34.049 68.098 0.363 4.39 8 68.6 22.6
229 0 1 4 34.083 68.166 0.364 4.38 4 6.0 0.1
230 5 5 2 34.091 68.182 0.364 4.37 8 74.3 26.5
231 0 11 2 34.156 68.313 0.364 4.36 4 92.0 20.2
232 4 10 0 34.192 68.384 0.365 4.35 4 6.7 0.1
233 6 5 0 34.357 68.714 0.366 4.3 4 16.6 0.7
234 1 0 4 34.423 68.846 0.367 4.29 4 180.5 76.6
235 0 2 4 34.445 68.89 0.367 4.28 4 49.0 5.6
236 6 4 1 34.472 68.943 0.367 4.28 8 84.0 33.1
237 1 1 4 34.543 69.087 0.368 4.26 8 101.7 48.3
238 1 11 2 34.616 69.233 0.369 4.24 8 92.3 39.6
239 4 8 2 34.65 69.299 0.369 4.23 8 31.7 4.7
240 3 11 1 34.7 69.401 0.37 4.22 8 93.8 40.7
241 4 4 3 34.859 69.718 0.371 4.18 8 7.3 0.2
242 1 2 4 34.903 69.807 0.371 4.17 8 96.1 42.2
243 0 3 4 35.045 70.089 0.373 4.13 4 57.0 7.4
244 2 8 3 35.12 70.239 0.373 4.12 8 21.6 2.1
245 2 12 1 35.168 70.336 0.374 4.1 8 18.1 1.5
246 5 8 1 35.19 70.38 0.374 4.1 8 47.8 10.3
247 0 9 3 35.325 70.651 0.375 4.07 4 59.6 7.9
248 4 10 1 35.385 70.77 0.376 4.05 8 33.0 4.8
249 5 6 2 35.41 70.82 0.376 4.05 8 29.2 3.8
250 1 3 4 35.499 70.999 0.377 4.03 8 33.6 5.0
251 6 5 1 35.547 71.094 0.377 4.02 8 49.1 10.6
252 1 13 0 35.596 71.191 0.378 4.01 4 65.2 9.3
253 3 7 3 35.606 71.213 0.378 4.0 8 57.1 14.3
254 6 6 0 35.672 71.344 0.379 3.99 4 17.3 0.7
255 3 10 2 35.755 71.51 0.379 3.97 8 55.0 13.2
256 1 9 3 35.779 71.557 0.38 3.97 8 4.7 0.1
257 2 0 4 35.791 71.581 0.38 3.96 4 23.7 1.2
258 0 4 4 35.877 71.753 0.38 3.95 4 39.2 3.3
259 2 1 4 35.909 71.818 0.381 3.94 8 22.2 2.1
260 4 5 3 35.93 71.859 0.381 3.93 8 21.3 2.0
261 2 11 2 35.981 71.962 0.381 3.92 8 94.5 38.4
262 5 9 0 36.027 72.053 0.382 3.91 4 57.9 7.2
263 6 0 2 36.121 72.242 0.383 3.89 4 1.9 0.0
264 6 1 2 36.239 72.478 0.384 3.87 8 71.0 21.4
265 3 12 0 36.251 72.503 0.384 3.87 4 46.9 4.7
266 2 2 4 36.263 72.526 0.384 3.86 8 108.4 49.8
267 0 13 1 36.32 72.64 0.384 3.85 4 4.2 0.0
268 1 4 4 36.327 72.654 0.385 3.85 8 29.3 3.6
269 6 2 2 36.591 73.183 0.387 3.8 8 67.4 18.9
270 4 9 2 36.666 73.331 0.388 3.78 8 25.6 2.7
271 4 11 0 36.689 73.379 0.388 3.78 4 8.7 0.2
272 1 13 1 36.768 73.537 0.389 3.76 8 11.2 0.5
273 6 6 1 36.844 73.687 0.389 3.75 8 75.2 23.3
274 2 3 4 36.85 73.7 0.389 3.75 8 41.1 6.9
275 0 12 2 36.889 73.778 0.39 3.74 4 32.4 2.1
276 0 5 4 36.935 73.87 0.39 3.73 4 59.1 7.2
277 5 7 2 36.943 73.885 0.39 3.73 8 65.4 17.5
278 2 13 0 36.945 73.889 0.39 3.73 4 13.4 0.4
279 5 0 3 37.03 74.06 0.391 3.71 4 98.2 19.6
280 2 9 3 37.125 74.25 0.392 3.7 8 35.4 5.1
281 5 1 3 37.147 74.293 0.392 3.69 8 75.8 23.3
282 6 3 2 37.176 74.353 0.392 3.69 8 38.6 6.0
283 5 9 1 37.194 74.388 0.392 3.68 8 47.9 9.3
284 6 7 0 37.2 74.4 0.392 3.68 4 15.1 0.5
285 4 6 3 37.221 74.441 0.393 3.68 8 27.2 3.0
286 1 12 2 37.335 74.669 0.394 3.66 8 26.1 2.7
287 3 8 3 37.369 74.738 0.394 3.65 8 70.5 19.9
288 1 5 4 37.38 74.761 0.394 3.65 8 28.7 3.3
289 7 1 0 37.391 74.782 0.394 3.65 4 57.3 6.6
290 3 12 1 37.416 74.832 0.394 3.64 8 43.9 7.7
291 5 2 3 37.496 74.992 0.395 3.63 8 53.8 11.5
292 0 10 3 37.559 75.118 0.396 3.62 4 69.8 9.7
293 2 4 4 37.666 75.332 0.397 3.6 8 60.3 14.3
294 7 2 0 37.74 75.479 0.397 3.59 4 40.5 3.2
295 4 11 1 37.849 75.698 0.398 3.57 8 16.7 1.1
296 6 4 2 37.99 75.98 0.4 3.55 8 35.9 5.0
297 1 10 3 38.002 76.004 0.4 3.54 8 71.2 19.7
298 3 0 4 38.024 76.048 0.4 3.54 4 59.2 6.8
299 5 3 3 38.076 76.152 0.4 3.53 8 47.7 8.8
300 2 13 1 38.101 76.203 0.401 3.53 8 62.7 15.2
301 3 1 4 38.14 76.28 0.401 3.52 8 59.0 13.4
302 3 11 2 38.21 76.42 0.402 3.51 8 86.9 29.0
303 0 6 4 38.213 76.426 0.402 3.51 4 54.7 5.8
304 5 10 0 38.244 76.489 0.402 3.5 4 18.5 0.7
305 0 14 0 38.307 76.614 0.402 3.49 2 5.4 0.0
306 7 3 0 38.318 76.637 0.402 3.49 4 16.3 0.5
307 6 7 1 38.354 76.708 0.403 3.49 8 72.5 20.1
308 7 0 1 38.428 76.856 0.403 3.48 4 22.9 1.0
309 3 2 4 38.486 76.972 0.404 3.47 8 40.3 6.2
310 7 1 1 38.543 77.086 0.404 3.46 8 64.2 15.6
311 1 6 4 38.654 77.307 0.405 3.44 8 28.9 3.2
312 2 12 2 38.661 77.322 0.406 3.44 8 59.0 13.1
313 5 8 2 38.682 77.364 0.406 3.44 8 45.1 7.7
314 2 5 4 38.706 77.412 0.406 3.43 8 47.4 8.5
315 4 7 3 38.726 77.452 0.406 3.43 8 24.4 2.2
316 1 14 0 38.747 77.494 0.406 3.43 4 1.2 0.0
317 4 10 2 38.87 77.741 0.407 3.41 8 58.1 12.6
318 5 4 3 38.883 77.766 0.407 3.41 8 8.1 0.2
319 7 2 1 38.888 77.777 0.408 3.41 8 24.1 2.2
320 6 8 0 38.936 77.871 0.408 3.4 4 2.4 0.0
321 6 5 2 39.027 78.055 0.409 3.39 8 67.0 16.7
322 3 3 4 39.061 78.123 0.409 3.38 8 21.4 1.7
323 7 4 0 39.124 78.248 0.41 3.37 4 18.7 0.6
324 3 13 0 39.154 78.309 0.41 3.37 4 2.2 0.0
325 2 10 3 39.321 78.642 0.411 3.34 8 28.3 2.9
326 3 9 3 39.331 78.663 0.411 3.34 8 51.1 9.6
327 4 12 0 39.352 78.705 0.412 3.34 4 99.8 18.2
328 5 10 1 39.388 78.777 0.412 3.33 8 13.7 0.7
329 0 14 1 39.45 78.901 0.412 3.33 4 33.1 2.0
330 7 3 1 39.462 78.924 0.413 3.32 8 42.0 6.4
331 0 7 4 39.707 79.413 0.415 3.29 4 12.8 0.3
332 0 13 2 39.776 79.552 0.415 3.28 4 8.9 0.1
333 3 4 4 39.863 79.725 0.416 3.27 8 30.4 3.3
334 1 14 1 39.887 79.774 0.416 3.27 8 73.2 19.2
335 5 5 3 39.914 79.827 0.416 3.27 8 65.9 15.6
336 2 6 4 39.966 79.932 0.417 3.26 8 8.5 0.3
337 0 11 3 39.975 79.951 0.417 3.26 4 71.2 9.1
338 2 14 0 40.059 80.117 0.418 3.25 4 67.0 8.0
339 6 8 1 40.074 80.148 0.418 3.25 8 44.5 7.0
340 1 7 4 40.142 80.285 0.418 3.24 8 65.7 15.3
341 7 5 0 40.153 80.306 0.419 3.24 4 1.7 0.0
342 1 13 2 40.212 80.423 0.419 3.23 8 23.3 1.9
343 7 4 1 40.261 80.522 0.42 3.22 8 66.6 15.7
344 6 6 2 40.285 80.57 0.42 3.22 8 38.2 5.2
345 3 13 1 40.291 80.582 0.42 3.22 8 56.2 11.1
346 1 11 3 40.41 80.821 0.421 3.2 8 74.6 19.6
347 4 8 3 40.442 80.884 0.421 3.2 8 14.0 0.7
348 4 12 1 40.488 80.976 0.421 3.2 8 93.3 30.5
349 5 9 2 40.626 81.252 0.423 3.18 8 103.5 37.3
350 5 11 0 40.649 81.298 0.423 3.18 4 33.1 1.9
351 3 12 2 40.842 81.685 0.425 3.16 8 54.5 10.3
352 6 9 0 40.876 81.752 0.425 3.15 4 97.6 16.5
353 3 5 4 40.887 81.774 0.425 3.15 8 67.3 15.6
354 4 0 4 41.083 82.166 0.427 3.13 4 9.6 0.2
355 5 6 3 41.165 82.329 0.427 3.12 8 47.7 7.8
356 2 14 1 41.189 82.379 0.427 3.12 8 24.8 2.1
357 4 1 4 41.196 82.393 0.428 3.12 8 134.5 61.8
358 4 11 2 41.265 82.53 0.428 3.11 8 44.8 6.9
359 7 5 1 41.283 82.566 0.428 3.11 8 84.6 24.4
360 7 6 0 41.402 82.804 0.429 3.1 4 37.6 2.4
361 0 8 4 41.412 82.824 0.429 3.09 4 52.1 4.6
362 2 7 4 41.443 82.886 0.43 3.09 8 21.3 1.5
363 3 10 3 41.494 82.987 0.43 3.09 8 51.9 9.1
364 2 13 2 41.512 83.024 0.43 3.08 8 37.9 4.9
365 4 2 4 41.536 83.072 0.43 3.08 8 34.4 4.0
366 2 11 3 41.71 83.419 0.432 3.07 8 48.1 7.8
367 6 7 2 41.759 83.519 0.432 3.06 8 23.8 1.9
368 5 11 1 41.776 83.553 0.432 3.06 8 58.6 11.5
369 7 0 2 41.832 83.663 0.433 3.05 4 13.9 0.3
370 6 0 3 41.844 83.687 0.433 3.05 4 13.7 0.3
371 1 8 4 41.844 83.688 0.433 3.05 8 51.9 9.0
372 7 1 2 41.944 83.889 0.434 3.04 8 83.3 23.1
373 6 1 3 41.957 83.913 0.434 3.04 8 13.6 0.6
374 6 9 1 42.002 84.005 0.434 3.04 8 31.9 3.4
375 1 15 0 42.049 84.097 0.435 3.03 4 43.4 3.1
376 4 3 4 42.101 84.202 0.435 3.03 8 65.5 14.3
377 3 6 4 42.132 84.263 0.435 3.03 8 15.4 0.8
378 4 13 0 42.193 84.385 0.436 3.02 4 42.1 2.9
379 3 14 0 42.223 84.446 0.436 3.02 4 17.5 0.5
380 7 2 2 42.283 84.566 0.437 3.01 8 18.7 1.2
381 6 2 3 42.295 84.591 0.437 3.01 8 22.9 1.7
382 4 9 3 42.367 84.734 0.437 3.01 8 39.2 5.1
383 7 6 1 42.526 85.052 0.439 2.99 8 37.0 4.5
384 0 12 3 42.582 85.164 0.439 2.99 4 33.6 1.8
385 5 7 3 42.633 85.267 0.44 2.98 8 20.2 1.3
386 0 15 1 42.74 85.48 0.441 2.97 4 54.2 4.8
387 5 10 2 42.775 85.549 0.441 2.97 8 84.4 23.2
388 0 14 2 42.836 85.671 0.441 2.97 4 88.9 12.8
389 7 3 2 42.847 85.694 0.441 2.97 8 60.3 11.8
390 6 3 3 42.859 85.718 0.442 2.96 8 75.8 18.7
391 7 7 0 42.87 85.739 0.442 2.96 4 96.9 15.3
392 4 4 4 42.89 85.781 0.442 2.96 8 31.0 3.1
393 1 12 3 43.012 86.024 0.443 2.95 8 53.3 9.2
394 6 10 0 43.023 86.046 0.443 2.95 4 71.2 8.2
395 2 8 4 43.136 86.272 0.444 2.94 8 33.1 3.5
396 1 15 1 43.17 86.34 0.444 2.94 8 107.7 37.4
397 5 12 0 43.248 86.496 0.445 2.94 4 46.9 3.5
398 1 14 2 43.266 86.531 0.445 2.93 8 19.7 1.2
399 4 13 1 43.314 86.627 0.445 2.93 8 62.1 12.4
400 0 9 4 43.33 86.66 0.445 2.93 4 88.9 12.7
401 2 15 0 43.34 86.679 0.446 2.93 4 55.4 4.9
402 3 14 1 43.344 86.688 0.446 2.93 8 60.2 11.7
403 6 8 2 43.45 86.901 0.446 2.92 8 69.4 15.4
404 3 7 4 43.596 87.192 0.448 2.91 8 65.1 13.5
405 7 4 2 43.635 87.269 0.448 2.91 8 28.8 2.7
406 6 4 3 43.647 87.294 0.448 2.91 8 129.2 53.2
407 3 13 2 43.665 87.329 0.448 2.91 8 90.6 26.1
408 1 9 4 43.76 87.519 0.449 2.9 8 23.5 1.8
409 8 0 0 43.801 87.602 0.449 2.9 2 233.5 43.3
410 4 12 2 43.859 87.718 0.45 2.89 8 95.7 29.0
411 3 11 3 43.861 87.722 0.45 2.89 8 39.0 4.8
412 4 5 4 43.903 87.806 0.45 2.89 8 33.3 3.5
413 8 1 0 43.913 87.826 0.45 2.89 4 48.3 3.7
414 7 7 1 43.989 87.978 0.451 2.89 8 41.9 5.5
415 6 10 1 44.142 88.284 0.452 2.88 8 15.6 0.8
416 8 2 0 44.25 88.501 0.453 2.87 4 25.3 1.0
417 2 12 3 44.3 88.6 0.453 2.87 8 91.9 26.5
418 5 8 3 44.321 88.642 0.454 2.86 8 33.8 3.6
419 5 12 1 44.366 88.733 0.454 2.86 8 29.2 2.7
420 0 1 5 44.403 88.806 0.454 2.86 4 25.2 1.0
421 2 15 1 44.458 88.916 0.455 2.86 8 45.5 6.5
422 4 10 3 44.505 89.009 0.455 2.85 8 94.8 28.1
423 2 14 2 44.553 89.107 0.455 2.85 8 11.3 0.4
424 7 8 0 44.556 89.113 0.455 2.85 4 34.4 1.9
425 7 5 2 44.646 89.292 0.456 2.85 8 16.5 0.9
426 6 5 3 44.658 89.316 0.456 2.85 8 71.9 16.1
427 1 0 5 44.72 89.439 0.457 2.84 4 20.7 0.7
428 0 2 5 44.74 89.48 0.457 2.84 4 27.9 1.2
429 8 3 0 44.812 89.624 0.457 2.84 4 66.5 6.9
430 1 1 5 44.832 89.664 0.458 2.84 8 36.3 4.1
431 8 0 1 44.919 89.837 0.458 2.83 4 30.0 1.4
432 5 0 4 44.955 89.91 0.459 2.83 4 66.7 6.9
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 1 0 5.577 11.155 7.92547 16.3 1.1 1.1 5.6
2 0 1 1 8.425 16.85 5.25751 22.9 1.6 1.6 5.6
3 1 3 0 9.121 18.242 4.85913 50.3 3.5 3.5 5.6
4 1 0 1 9.456 18.912 4.6886 55.2 3.8 3.9 5.6
5 0 2 1 9.519 19.037 4.65798 16.5 1.1 1.2 5.6
6 1 1 1 9.797 19.593 4.52708 128.2 8.9 9.0 5.6
7 0 4 0 10.201 20.403 4.34925 325.9 22.6 22.8 5.6
8 2 1 0 10.289 20.578 4.31256 322.3 22.3 22.5 5.6
9 1 2 1 10.756 21.513 4.12723 35.3 2.4 2.5 5.6
10 2 2 0 11.209 22.417 3.96274 227.6 15.8 15.9 5.6
11 1 4 0 11.368 22.736 3.90787 252.9 17.5 17.6 5.6
12 1 3 1 12.197 24.393 3.64598 20.0 1.4 1.4 5.6
13 2 3 0 12.6 25.2 3.53109 28.6 2.0 2.0 5.6
14 0 4 1 13.035 26.07 3.41516 221.2 15.3 15.4 5.6
15 2 1 1 13.105 26.21 3.39731 123.7 8.6 8.6 5.6
16 1 5 0 13.75 27.5 3.24071 203.1 14.1 14.1 5.6
17 2 3 1 15.012 30.024 2.97383 57.8 4.0 4.0 5.6
18 0 5 1 15.174 30.348 2.94276 281.0 19.5 19.5 5.6
19 3 1 0 15.266 30.533 2.92541 666.6 46.2 46.2 5.6
20 3 2 0 15.917 31.834 2.8087 654.4 45.3 45.3 5.6
21 1 5 1 16.003 32.005 2.79408 1443.6 100.0 100.0 5.6
22 1 6 0 16.224 32.448 2.75697 27.4 1.9 1.9 5.6
23 2 5 0 16.319 32.638 2.74135 125.6 8.7 8.7 5.6
24 0 1 2 16.428 32.856 2.72369 54.6 3.8 3.8 5.6
25 2 4 1 16.516 33.031 2.7096 1171.7 81.2 81.1 5.6
26 3 3 0 16.952 33.904 2.64182 19.9 1.4 1.4 5.7
27 0 2 2 17.039 34.078 2.62876 47.4 3.3 3.3 5.7
28 3 0 1 17.142 34.285 2.61337 94.1 6.5 6.5 5.7
29 1 1 2 17.202 34.405 2.60454 984.5 68.2 68.1 5.7
30 3 1 1 17.341 34.681 2.58438 105.5 7.3 7.3 5.7
31 1 2 2 17.79 35.58 2.52115 65.9 4.6 4.6 5.7
32 3 2 1 17.924 35.849 2.50285 16.0 1.1 1.1 5.7
33 0 3 2 18.017 36.033 2.49044 108.2 7.5 7.5 5.7
34 1 6 1 18.201 36.402 2.46604 92.0 6.4 6.4 5.7
35 2 5 1 18.287 36.574 2.45484 136.3 9.4 9.4 5.7
36 2 6 0 18.484 36.969 2.42956 31.2 2.2 2.1 5.7
37 3 3 1 18.862 37.724 2.3826 133.5 9.3 9.2 5.7
38 2 1 2 19.363 38.725 2.3233 205.2 14.2 14.1 5.7
39 2 2 2 19.895 39.79 2.26354 162.6 11.3 11.2 5.7
40 3 5 0 19.947 39.893 2.25792 18.1 1.3 1.2 5.7
41 1 4 2 19.991 39.981 2.25317 39.2 2.7 2.7 5.7
42 3 4 1 20.112 40.225 2.24008 15.1 1.0 1.0 5.7
43 4 0 0 20.248 40.495 2.22575 144.7 10.0 9.9 5.7
44 1 7 1 20.535 41.071 2.19587 206.4 14.3 14.2 5.7
45 2 3 2 20.757 41.514 2.17342 75.7 5.2 5.2 5.7
46 0 5 2 20.88 41.76 2.1612 32.5 2.2 2.2 5.7
47 1 5 2 21.516 43.032 2.10021 80.1 5.5 5.5 5.7
48 3 5 1 21.631 43.262 2.0896 37.7 2.6 2.6 5.7
49 2 4 2 21.917 43.835 2.06362 21.0 1.5 1.4 5.7
50 4 1 1 22.074 44.149 2.04964 105.0 7.3 7.2 5.7
51 0 8 1 22.38 44.76 2.02305 16.8 1.2 1.1 5.7
52 3 0 2 22.414 44.828 2.02014 184.9 12.8 12.6 5.7
53 4 2 1 22.554 45.108 2.00826 66.4 4.6 4.5 5.7
54 0 6 2 22.674 45.347 1.99824 127.2 8.8 8.7 5.7
55 4 4 0 22.877 45.755 1.98137 28.1 1.9 1.9 5.7
56 1 8 1 22.983 45.966 1.97276 35.6 2.5 2.4 5.7
57 3 2 2 23.045 46.089 1.96777 88.3 6.1 6.0 5.7
58 4 3 1 23.336 46.673 1.94452 85.1 5.9 5.8 5.7
59 3 6 1 23.378 46.757 1.94123 270.9 18.8 18.5 5.7
60 3 3 2 23.814 47.629 1.9077 27.4 1.9 1.9 5.7
61 1 9 0 24.065 48.13 1.88899 116.2 8.0 7.9 5.7
62 4 4 1 24.399 48.798 1.86469 87.0 6.0 5.9 5.7
63 0 7 2 24.66 49.32 1.84618 16.4 1.1 1.1 5.7
64 2 8 1 24.723 49.445 1.84177 65.3 4.5 4.4 5.7
65 3 4 2 24.861 49.723 1.83215 29.5 2.0 2.0 5.7
66 0 9 1 24.977 49.954 1.82421 44.1 3.1 3.0 5.7
67 1 7 2 25.221 50.441 1.80772 47.9 3.3 3.3 5.8
68 3 7 1 25.322 50.645 1.80094 38.8 2.7 2.6 5.8
69 0 2 3 25.356 50.711 1.79873 33.9 2.3 2.3 5.8
70 1 9 1 25.533 51.066 1.78708 124.4 8.6 8.5 5.8
71 4 5 1 25.716 51.433 1.77518 123.2 8.5 8.4 5.8
72 5 1 0 25.776 51.552 1.77135 63.8 4.4 4.3 5.8
73 1 2 3 25.905 51.811 1.76311 16.7 1.2 1.1 5.8
74 3 5 2 26.162 52.324 1.74703 46.1 3.2 3.1 5.8
75 5 2 0 26.204 52.408 1.74443 21.9 1.5 1.5 5.8
76 4 0 2 26.406 52.813 1.732 181.4 12.6 12.3 5.8
77 4 1 2 26.547 53.094 1.72348 55.0 3.8 3.7 5.8
78 1 3 3 26.613 53.226 1.71951 155.6 10.8 10.5 5.8
79 1 10 0 26.817 53.634 1.70741 178.9 12.4 12.1 5.8
80 4 2 2 26.966 53.932 1.69866 82.3 5.7 5.6 5.8
81 2 1 3 27.095 54.189 1.6912 21.2 1.5 1.4 5.8
82 2 9 1 27.151 54.302 1.68797 27.3 1.9 1.8 5.8
83 4 6 1 27.264 54.528 1.68149 96.3 6.7 6.5 5.8
84 1 4 3 27.583 55.166 1.66357 142.9 9.9 9.7 5.8
85 4 3 2 27.655 55.31 1.65956 118.5 8.2 8.0 5.8
86 3 6 2 27.692 55.384 1.65751 30.8 2.1 2.1 5.8
87 1 10 1 28.181 56.363 1.63104 19.5 1.3 1.3 5.8
88 5 3 1 28.268 56.535 1.62647 291.4 20.2 19.7 5.8
89 2 10 0 28.384 56.768 1.62035 14.7 1.0 1.0 5.8
90 4 4 2 28.601 57.201 1.6091 14.5 1.0 1.0 5.8
91 1 5 3 28.797 57.594 1.59907 30.9 2.1 2.1 5.8
92 2 8 2 28.891 57.782 1.59431 14.6 1.0 1.0 5.8
93 4 7 1 29.02 58.04 1.58784 134.5 9.3 9.0 5.8
94 2 4 3 29.122 58.245 1.58274 108.8 7.5 7.3 5.8
95 3 7 2 29.431 58.862 1.5676 109.5 7.6 7.4 5.8
96 3 0 3 29.529 59.058 1.56287 33.0 2.3 2.2 5.8
97 1 11 0 29.648 59.296 1.55717 66.9 4.6 4.5 5.8
98 2 10 1 29.701 59.401 1.55465 274.5 19.0 18.4 5.8
99 0 6 3 29.743 59.485 1.55266 318.3 22.0 21.4 5.8
100 4 5 2 29.788 59.576 1.55052 68.6 4.8 4.6 5.8
101 3 2 3 30.05 60.1 1.53824 22.6 1.6 1.5 5.8
102 1 6 3 30.238 60.476 1.52957 41.2 2.9 2.8 5.8
103 2 5 3 30.297 60.593 1.52689 43.0 3.0 2.9 5.8
104 0 11 1 30.442 60.885 1.52028 22.8 1.6 1.5 5.8
105 5 6 0 30.508 61.016 1.51733 15.5 1.1 1.0 5.8
106 3 3 3 30.694 61.387 1.50903 17.4 1.2 1.2 5.8
107 3 10 0 30.88 61.759 1.50083 17.0 1.2 1.1 5.8
108 1 11 1 30.931 61.862 1.49859 44.6 3.1 3.0 5.8
109 5 0 2 30.993 61.986 1.49588 78.3 5.4 5.2 5.8
110 2 9 2 31.097 62.193 1.49139 65.3 4.5 4.4 5.8
111 4 6 2 31.201 62.401 1.48692 85.0 5.9 5.7 5.8
112 0 7 3 31.41 62.82 1.47802 107.0 7.4 7.2 5.9
113 5 2 2 31.5 62.999 1.47424 50.1 3.5 3.3 5.9
114 3 4 3 31.582 63.164 1.47079 29.7 2.1 2.0 5.9
115 5 6 1 31.77 63.541 1.46298 214.8 14.9 14.3 5.9
116 1 10 2 32.047 64.093 1.45169 25.6 1.8 1.7 5.9
117 0 12 0 32.095 64.189 1.44975 68.1 4.7 4.5 5.9
118 5 3 2 32.127 64.253 1.44846 61.6 4.3 4.1 5.9
119 6 3 0 32.401 64.802 1.43752 17.0 1.2 1.1 5.9
120 6 0 1 32.519 65.037 1.43288 24.7 1.7 1.6 5.9
121 3 5 3 32.704 65.408 1.42565 93.7 6.5 6.2 5.9
122 4 7 2 32.825 65.65 1.42098 14.8 1.0 1.0 5.9
123 6 2 1 33.012 66.024 1.41383 64.6 4.5 4.3 5.9
124 0 12 1 33.324 66.647 1.40212 50.3 3.5 3.3 5.9
125 4 2 3 33.408 66.816 1.399 98.3 6.8 6.5 5.9
126 2 10 2 33.461 66.921 1.39704 83.7 5.8 5.6 5.9
127 3 11 0 33.497 66.993 1.39572 27.8 1.9 1.8 5.9
128 1 12 1 33.789 67.578 1.38505 21.6 1.5 1.4 5.9
129 3 6 3 34.049 68.098 1.37574 22.6 1.6 1.5 5.9
130 5 5 2 34.091 68.182 1.37425 26.5 1.8 1.8 5.9
131 0 11 2 34.156 68.313 1.37194 20.2 1.4 1.3 5.9
132 1 0 4 34.423 68.846 1.3626 82.2 5.7 5.4 5.9
133 6 4 1 34.472 68.943 1.36093 33.1 2.3 2.2 5.9
134 1 1 4 34.543 69.087 1.35844 48.3 3.3 3.2 5.9
135 1 11 2 34.616 69.233 1.35593 39.6 2.7 2.6 5.9
136 3 11 1 34.7 69.401 1.35307 40.7 2.8 2.7 5.9
137 1 2 4 34.903 69.807 1.34619 42.2 2.9 2.8 5.9
138 3 7 3 35.606 71.213 1.32302 23.7 1.6 1.6 5.9
139 2 11 2 35.981 71.962 1.31108 38.4 2.7 2.5 5.9
140 2 2 4 36.263 72.526 1.30227 75.8 5.3 5.0 5.9
141 6 2 2 36.591 73.183 1.29219 18.9 1.3 1.2 6.0
142 6 6 1 36.844 73.687 1.28458 30.2 2.1 2.0 6.0
143 5 7 2 36.943 73.885 1.28163 25.0 1.7 1.6 6.0
144 5 0 3 37.03 74.06 1.27904 19.6 1.4 1.3 6.0
145 5 1 3 37.147 74.293 1.2756 28.4 2.0 1.9 6.0
146 5 9 1 37.194 74.388 1.27421 18.7 1.3 1.2 6.0
147 3 8 3 37.369 74.738 1.26911 29.8 2.1 1.9 6.0
148 1 10 3 38.002 76.004 1.25109 31.5 2.2 2.1 6.0
149 2 13 1 38.101 76.203 1.24832 24.0 1.7 1.6 6.0
150 3 11 2 38.21 76.42 1.24531 34.8 2.4 2.3 6.0
151 6 7 1 38.354 76.708 1.24135 20.1 1.4 1.3 6.0
152 7 1 1 38.543 77.086 1.2362 15.6 1.1 1.0 6.0
153 5 8 2 38.682 77.364 1.23245 34.6 2.4 2.3 6.0
154 4 10 2 38.87 77.741 1.22742 15.0 1.0 1.0 6.0
155 6 5 2 39.027 78.055 1.22327 16.7 1.2 1.1 6.0
156 4 12 0 39.352 78.705 1.21478 30.8 2.1 2.0 6.0
157 1 14 1 39.887 79.774 1.20117 38.1 2.6 2.5 6.0
158 2 14 0 40.059 80.117 1.19688 15.0 1.0 1.0 6.0
159 1 7 4 40.142 80.285 1.19481 15.3 1.1 1.0 6.0
160 7 4 1 40.261 80.522 1.19189 20.8 1.4 1.3 6.1
161 1 11 3 40.41 80.821 1.18823 19.6 1.4 1.3 6.1
162 4 12 1 40.488 80.976 1.18635 30.5 2.1 2.0 6.1
163 5 9 2 40.626 81.252 1.18301 39.2 2.7 2.5 6.1
164 6 9 0 40.876 81.752 1.17703 32.1 2.2 2.1 6.1
165 4 1 4 41.196 82.393 1.1695 61.8 4.3 4.0 6.1
166 7 5 1 41.283 82.566 1.16748 31.2 2.2 2.0 6.1
167 7 1 2 41.944 83.889 1.15241 23.7 1.6 1.5 6.1
168 5 10 2 42.775 85.549 1.13424 23.2 1.6 1.5 6.1
169 6 3 3 42.859 85.718 1.13244 61.7 4.3 3.9 6.1
170 1 12 3 43.012 86.024 1.12919 17.4 1.2 1.1 6.1
171 1 15 1 43.17 86.34 1.12587 37.4 2.6 2.4 6.1
172 0 9 4 43.33 86.66 1.12253 41.7 2.9 2.7 6.1
173 6 8 2 43.45 86.901 1.12004 15.4 1.1 1.0 6.1
174 3 13 2 43.665 87.329 1.11564 82.0 5.7 5.2 6.2
175 8 0 0 43.801 87.602 1.11287 43.3 3.0 2.7 6.2
176 4 12 2 43.859 87.718 1.1117 33.9 2.3 2.1 6.2
177 2 12 3 44.3 88.6 1.10289 30.1 2.1 1.9 6.2
178 4 10 3 44.505 89.009 1.09888 28.1 1.9 1.8 6.2
179 6 5 3 44.658 89.316 1.0959 16.1 1.1 1.0 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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