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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SCAWTITE
3
Ca(7)Si(6)O(18)CO(3).2H(2)O
Monoclinic C m Z = 2
Cm
9 .10 .17
Ref.Str.:
Zhang L., Fu P., Yang H., Yu K., Zhou Z. (1992)
* Chinese Science Bull., 37, 930-934
R: Locality - Zoulou iron deposit, Anhui Province, China.
There are U(ij) in the article. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.0394 alpha = 90.0
b = 15.1935 beta = 111.64
c = 6.6344 gamma = 90.0
Unit cell volume (cub. angs.) = 940.61
Molar volume ( cub.cm/mol.) = 283.28
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.9971 0.0 0.4714 0.0 Ca = 1.00
2 0.197 0.1356 0.0004 0.0 Ca = 1.00
3 0.9908 0.2509 0.4863 0.0 Ca = 1.00
4 0.7731 0.1447 0.9757 0.0 Ca = 1.00
5 0.7187 0.104 0.4209 0.0 Si = 1.00
6 0.4889 0.1765 0.9845 0.0 Si = 1.00
7 0.265 0.1042 0.5548 0.0 Si = 1.00
8 0.0 0.0 0.0 0.0 C = 1.00
9 0.8491 0.1233 0.3785 0.0 O = 1.00
10 0.7268 0.0 0.5009 0.0 O = 1.00
11 0.5921 0.1087 0.172 0.0 O = 1.00
12 0.6896 0.1616 0.5955 0.0 O = 1.00
13 0.575 0.2349 0.8899 0.0 O = 1.00
14 0.3974 0.2274 0.0793 0.0 O = 1.00
15 0.3986 0.1046 0.7953 0.0 O = 1.00
16 0.2925 0.1614 0.3796 0.0 O = 1.00
17 0.1392 0.127 0.6063 0.0 O = 1.00
18 0.2448 0.0 0.4689 0.0 O = 1.00
19 0.976 0.0722 0.0673 0.0 O = 1.00
20 0.0601 0.0 0.875 0.0 O = 1.00
21 0.3451 0.0 0.1331 0.0 O = 1.00
22 0.6566 0.0 0.8528 0.0 O = 1.00
23 0.286 0.0 0.205 0.0 H = 1.00
24 0.4337 0.0 0.2541 0.0 H = 1.00
25 0.6503 0.0 0.7039 0.0 H = 1.00
26 0.5649 0.0 0.8321 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.9971 0.0 0.4714
2 2 0.197 0.1356 0.0004
3 3 0.9908 0.2509 0.4863
4 4 0.7731 0.1447 0.9757
5 5 0.7187 0.104 0.4209
6 6 0.4889 0.1765 0.9845
7 7 0.265 0.1042 0.5548
8 8 0.0 0.0 0.0
9 9 0.8491 0.1233 0.3785
10 10 0.7268 0.0 0.5009
11 11 0.5921 0.1087 0.172
12 12 0.6896 0.1616 0.5955
13 13 0.575 0.2349 0.8899
14 14 0.3974 0.2274 0.0793
15 15 0.3986 0.1046 0.7953
16 16 0.2925 0.1614 0.3796
17 17 0.1392 0.127 0.6063
18 18 0.2448 0.0 0.4689
19 19 0.976 0.0722 0.0673
20 20 0.0601 0.0 0.875
21 21 0.3451 0.0 0.1331
22 22 0.6566 0.0 0.8528
23 23 0.286 0.0 0.205
24 24 0.4337 0.0 0.2541
25 25 0.6503 0.0 0.7039
26 26 0.5649 0.0 0.8321
27 2 0.197 0.8644 0.0004
28 3 0.9908 0.7491 0.4863
29 4 0.7731 0.8553 0.9757
30 5 0.7187 0.896 0.4209
31 6 0.4889 0.8235 0.9845
32 7 0.265 0.8958 0.5548
33 9 0.8491 0.8767 0.3785
34 11 0.5921 0.8913 0.172
35 12 0.6896 0.8384 0.5955
36 13 0.575 0.7651 0.8899
37 14 0.3974 0.7726 0.0793
38 15 0.3986 0.8954 0.7953
39 16 0.2925 0.8386 0.3796
40 17 0.1392 0.873 0.6063
41 19 0.976 0.9278 0.0673
42 1 0.4971 0.5 0.4714
43 2 0.697 0.3644 0.0004
44 3 0.4908 0.2491 0.4863
45 4 0.2731 0.3553 0.9757
46 5 0.2187 0.396 0.4209
47 6 0.9889 0.3235 0.9845
48 7 0.765 0.3958 0.5548
49 8 0.5 0.5 0.0
50 9 0.3491 0.3767 0.3785
51 10 0.2268 0.5 0.5009
52 11 0.0921 0.3913 0.172
53 12 0.1896 0.3384 0.5955
54 13 0.075 0.2651 0.8899
55 14 0.8974 0.2726 0.0793
56 15 0.8986 0.3954 0.7953
57 16 0.7925 0.3386 0.3796
58 17 0.6392 0.373 0.6063
59 18 0.7448 0.5 0.4689
60 19 0.476 0.4278 0.0673
61 20 0.5601 0.5 0.875
62 21 0.8451 0.5 0.1331
63 22 0.1566 0.5 0.8528
64 23 0.786 0.5 0.205
65 24 0.9337 0.5 0.2541
66 25 0.1503 0.5 0.7039
67 26 0.0649 0.5 0.8321
68 2 0.697 0.6356 0.0004
69 3 0.4908 0.7509 0.4863
70 4 0.2731 0.6447 0.9757
71 5 0.2187 0.604 0.4209
72 6 0.9889 0.6765 0.9845
73 7 0.765 0.6042 0.5548
74 9 0.3491 0.6233 0.3785
75 11 0.0921 0.6087 0.172
76 12 0.1896 0.6616 0.5955
77 13 0.075 0.7349 0.8899
78 14 0.8974 0.7274 0.0793
79 15 0.8986 0.6046 0.7953
80 16 0.7925 0.6614 0.3796
81 17 0.6392 0.627 0.6063
82 19 0.476 0.5722 0.0673
X-ray density (g/cm cub.) = 2.94
MU (1/cm) = 211.606 Mass attenuation coefficient (cm**2/g) = 71.962
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 9
2.3284 9
2.7918 10
2.3701 17
2.4929 18
2.8314 19
2.5141 20
2.3284 9
2.3701 17
2.8314 19
2 Ca 2.88 8
2.3431 14
2.8638 15
2.3712 16
2.4639 17
2.6027 19
2.4458 20
2.5029 21
2.2905 13
3 Ca 2.88 6
2.3544 9
2.3499 17
2.2823 12
2.5022 13
2.532 14
2.2804 16
4 Ca 2.88 7
2.515 9
2.6539 11
2.3604 12
2.307 13
2.1952 19
2.4825 22
2.2745 14
5 Si 2.1 4
1.4665 9
1.6593 10
1.673 11
1.5629 12
6 Si 2.1 4
1.6526 11
1.526 13
1.5046 14
1.6587 15
7 Si 2.1 4
1.6632 15
1.5554 16
1.4663 17
1.6694 18
8 C 1.872 3
1.241 19
1.192 20
1.241 19
9 O 3.264 6
2.5322 10
2.4445 11
2.5838 12
2.7427 17
2.9033 19
3.1672 14
10 O 3.264 7
2.5322 9
2.6722 11
2.5951 12
2.676 22
2.5322 9
2.6722 11
2.5951 12
11 O 3.264 8
2.4445 9
2.6722 10
2.733 12
2.6404 13
2.5622 14
2.5381 15
2.9105 21
2.9399 22
12 O 3.264 6
2.5838 9
2.5951 10
2.733 11
2.8349 13
3.0772 22
3.2564 17
13 O 3.264 6
2.6404 11
2.8349 12
2.5345 14
2.5748 15
3.0632 14
3.0418 17
14 O 3.264 7
2.5622 11
2.5345 13
2.6548 15
2.7626 16
3.1672 9
3.0632 13
3.1537 19
15 O 3.264 9
2.5381 11
2.5748 13
2.6548 14
2.7052 16
2.4619 17
2.6707 18
2.9538 21
2.9413 22
3.1785 15
16 O 3.264 5
2.7626 14
2.7052 15
2.5713 17
2.6083 18
3.099 21
17 O 3.264 7
2.7427 9
2.4619 15
2.5713 16
2.5281 18
2.9285 20
3.2564 12
3.0418 13
18 O 3.264 9
2.6707 15
2.6083 16
2.5281 17
3.2063 19
2.7626 21
2.6707 15
2.6083 16
2.5281 17
3.2063 19
19 O 3.264 6
2.9033 9
3.2063 18
2.0829 20
3.185 22
2.1939 19
3.1537 14
20 O 3.264 5
2.9285 17
2.0829 19
2.7394 21
2.9285 17
2.0829 19
21 O 3.264 8
2.9105 11
2.9538 15
3.099 16
2.7626 18
2.7394 20
2.9105 11
2.9538 15
3.099 16
22 O 3.264 9
2.676 10
2.9399 11
3.0772 12
2.9413 15
3.185 19
2.9399 11
3.0772 12
2.9413 15
3.185 19
23 H 1.632 1
0.8879 21
24 H 1.632 1
0.9533 21
25 H 1.632 1
0.9663 22
26 H 1.632 1
0.8793 22
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 5.559 11.118 0.063 210.15 4 25.2 60.2
2 0 2 0 5.82 11.639 0.066 191.56 2 29.4 37.5
3 0 0 1 7.176 14.351 0.081 125.22 2 14.9 6.3
4 1 1 -1 7.576 15.151 0.086 112.12 4 52.7 140.7
5 0 2 1 9.258 18.517 0.104 74.34 4 38.9 51.0
6 2 0 0 9.503 19.005 0.107 70.46 2 72.3 83.2
7 2 0 -1 9.571 19.142 0.108 69.42 2 11.0 1.9
8 1 3 0 9.965 19.93 0.112 63.87 4 97.2 272.6
9 1 1 1 10.401 20.802 0.117 58.45 4 14.1 5.3
10 2 2 0 11.171 22.343 0.126 50.39 4 65.8 98.5
11 2 2 -1 11.23 22.46 0.126 49.84 4 85.2 163.7
12 1 3 -1 11.232 22.465 0.126 49.82 4 40.4 36.7
13 0 4 0 11.7 23.401 0.132 45.75 2 126.3 165.0
14 1 3 1 13.33 26.66 0.15 34.77 4 6.5 0.7
15 1 1 -2 13.761 27.522 0.154 32.51 4 136.2 272.5
16 3 1 -1 13.773 27.546 0.155 32.45 4 115.0 194.1
17 0 4 1 13.779 27.558 0.155 32.42 4 68.7 69.1
18 2 0 1 13.944 27.889 0.156 31.6 2 85.9 52.7
19 2 0 -2 14.087 28.174 0.158 30.93 2 21.0 3.1
20 0 0 2 14.467 28.934 0.162 29.22 2 358.3 848.0
21 3 1 0 14.642 29.284 0.164 28.48 4 54.3 38.0
22 2 2 1 15.156 30.311 0.17 26.45 4 48.6 28.2
23 2 4 0 15.159 30.318 0.17 26.44 4 269.7 869.6
24 2 4 -1 15.203 30.406 0.17 26.28 4 114.5 155.7
25 2 2 -2 15.288 30.576 0.171 25.96 4 68.8 55.6
26 1 5 0 15.462 30.923 0.173 25.34 4 24.9 7.1
27 0 2 2 15.641 31.283 0.175 24.72 4 62.3 43.4
28 1 3 -2 16.126 32.252 0.18 23.14 4 50.1 26.3
29 3 3 -1 16.136 32.273 0.18 23.11 4 143.5 215.0
30 1 5 -1 16.331 32.662 0.183 22.52 4 40.4 16.6
31 3 1 -2 16.5 33.001 0.184 22.02 4 62.7 39.2
32 3 3 0 16.895 33.79 0.189 20.92 4 153.7 223.5
33 1 1 2 17.156 34.312 0.191 20.23 4 9.4 0.8
34 0 6 0 17.709 35.419 0.197 18.88 2 43.8 8.2
35 4 0 -1 17.874 35.747 0.199 18.5 2 43.8 8.0
36 1 5 1 17.882 35.763 0.199 18.48 4 171.7 246.3
37 2 4 1 18.358 36.716 0.204 17.45 4 11.0 0.9
38 2 4 -2 18.47 36.94 0.206 17.22 4 83.0 53.6
39 3 3 -2 18.552 37.104 0.207 17.05 4 122.4 115.4
40 3 1 1 18.655 37.31 0.208 16.84 4 45.0 15.4
41 0 4 2 18.77 37.54 0.209 16.61 4 37.5 10.5
42 4 2 -1 18.859 37.717 0.21 16.44 4 15.4 1.8
43 1 3 2 19.146 38.293 0.213 15.9 4 67.3 32.6
44 0 6 1 19.198 38.396 0.213 15.81 4 96.0 65.8
45 4 0 0 19.28 38.56 0.214 15.66 2 199.6 141.1
46 4 0 -2 19.423 38.846 0.216 15.41 2 220.8 169.7
47 1 5 -2 20.115 40.23 0.223 14.25 4 96.5 60.0
48 3 5 -1 20.123 40.247 0.223 14.24 4 28.4 5.2
49 4 2 0 20.206 40.413 0.224 14.11 4 13.0 1.1
50 2 6 0 20.249 40.498 0.225 14.04 4 86.4 47.4
51 2 0 2 20.276 40.552 0.225 14.0 2 57.1 10.3
52 2 6 -1 20.283 40.567 0.225 13.99 4 63.6 25.6
53 4 2 -2 20.344 40.688 0.226 13.9 4 55.7 19.5
54 2 0 -3 20.447 40.895 0.227 13.74 2 221.4 152.2
55 3 3 1 20.521 41.041 0.228 13.63 4 86.9 46.6
56 3 5 0 20.755 41.51 0.23 13.29 4 54.3 17.7
57 1 1 -3 20.877 41.753 0.231 13.12 4 21.0 2.6
58 2 2 2 21.166 42.332 0.234 12.72 4 51.2 15.1
59 2 2 -3 21.332 42.663 0.236 12.5 4 96.1 52.2
60 1 7 0 21.368 42.736 0.237 12.45 4 67.6 25.7
61 4 4 -1 21.584 43.168 0.239 12.17 4 194.8 208.8
62 3 1 -3 21.629 43.258 0.239 12.12 4 106.1 61.6
63 0 0 3 22.008 44.016 0.243 11.65 2 24.1 1.5
64 1 7 -1 22.035 44.07 0.244 11.62 4 18.0 1.7
65 3 5 -2 22.167 44.333 0.245 11.47 4 114.3 67.8
66 1 3 -3 22.59 45.179 0.249 10.99 4 31.9 5.0
67 1 5 2 22.682 45.363 0.25 10.89 4 41.2 8.3
68 4 4 0 22.798 45.597 0.252 10.76 4 30.8 4.6
69 5 1 -1 22.826 45.651 0.252 10.73 4 92.3 41.4
70 2 6 1 22.835 45.669 0.252 10.72 4 29.9 4.3
71 0 2 3 22.843 45.686 0.252 10.71 4 63.2 19.3
72 4 4 -2 22.923 45.846 0.253 10.63 4 37.9 6.9
73 2 6 -2 22.928 45.857 0.253 10.62 4 24.2 2.8
74 0 6 2 23.18 46.361 0.256 10.36 4 58.8 16.2
75 4 0 1 23.189 46.378 0.256 10.36 2 77.3 14.0
76 1 7 1 23.261 46.523 0.256 10.28 4 31.6 4.6
77 3 3 -3 23.298 46.595 0.257 10.25 4 58.1 15.6
78 4 0 -3 23.435 46.87 0.258 10.11 2 51.9 6.1
79 5 1 -2 23.521 47.041 0.259 10.03 4 31.3 4.5
80 2 4 2 23.673 47.346 0.261 9.88 4 314.5 442.0
81 2 4 -3 23.825 47.649 0.262 9.74 4 16.8 1.2
82 3 5 1 23.89 47.779 0.263 9.68 4 46.9 9.6
83 0 8 0 23.928 47.855 0.263 9.65 2 266.6 155.0
84 4 2 1 23.992 47.984 0.264 9.59 4 25.2 2.7
85 4 2 -3 24.232 48.464 0.266 9.37 4 29.3 3.6
86 5 3 -1 24.43 48.86 0.268 9.2 4 156.1 101.3
87 3 1 2 24.498 48.996 0.269 9.14 4 38.6 6.2
88 1 1 3 24.55 49.1 0.27 9.1 4 46.8 9.0
89 5 1 0 24.572 49.144 0.27 9.08 4 47.1 9.1
90 5 3 -2 25.091 50.182 0.275 8.66 4 30.1 3.5
91 1 7 -2 25.101 50.202 0.275 8.65 4 61.0 14.6
92 3 7 -1 25.108 50.216 0.275 8.64 4 132.4 68.5
93 0 8 1 25.112 50.223 0.275 8.64 4 69.2 18.7
94 0 4 3 25.22 50.439 0.277 8.56 4 196.6 149.5
95 4 6 -1 25.602 51.205 0.28 8.27 4 141.9 75.3
96 3 7 0 25.642 51.284 0.281 8.24 4 43.8 7.1
97 1 5 -3 25.745 51.491 0.282 8.17 4 17.4 1.1
98 2 8 0 25.97 51.94 0.284 8.01 4 70.3 17.9
99 2 8 -1 25.998 51.996 0.285 7.99 4 140.0 70.7
100 3 3 2 26.025 52.049 0.285 7.97 4 118.0 50.1
101 1 3 3 26.074 52.149 0.285 7.93 4 8.5 0.3
102 5 3 0 26.095 52.19 0.286 7.92 4 28.0 2.8
103 4 4 1 26.29 52.58 0.288 7.78 4 108.6 41.5
104 3 5 -3 26.389 52.778 0.289 7.72 4 62.3 13.5
105 5 1 -3 26.511 53.022 0.29 7.64 4 55.3 10.6
106 4 4 -3 26.515 53.029 0.29 7.64 4 117.3 47.5
107 4 6 0 26.676 53.352 0.291 7.53 4 36.0 4.4
108 4 6 -2 26.787 53.575 0.293 7.46 4 35.9 4.3
109 3 7 -2 26.853 53.707 0.293 7.42 4 62.9 13.3
110 1 7 2 27.302 54.603 0.298 7.14 4 57.5 10.7
111 5 5 -1 27.427 54.855 0.299 7.07 4 112.2 40.2
112 2 6 2 27.459 54.918 0.299 7.05 4 52.2 8.7
113 2 0 3 27.508 55.015 0.3 7.02 2 41.2 2.7
114 2 6 -3 27.595 55.19 0.301 6.97 4 13.4 0.6
115 1 9 0 27.625 55.251 0.301 6.95 4 28.9 2.6
116 6 0 -1 27.643 55.287 0.301 6.94 2 34.3 1.9
117 2 0 -4 27.698 55.396 0.302 6.91 2 7.8 0.1
118 6 0 -2 27.725 55.449 0.302 6.9 2 43.4 2.9
119 5 3 -3 27.959 55.918 0.304 6.77 4 43.7 5.9
120 5 5 -2 28.038 56.076 0.305 6.72 4 20.0 1.2
121 3 1 -4 28.128 56.257 0.306 6.68 4 72.1 15.7
122 2 8 1 28.149 56.299 0.306 6.66 4 92.9 26.0
123 1 9 -1 28.179 56.359 0.307 6.65 4 94.4 26.8
124 2 2 3 28.221 56.441 0.307 6.63 4 34.8 3.6
125 2 8 -2 28.23 56.46 0.307 6.62 4 66.9 13.4
126 6 2 -1 28.354 56.708 0.308 6.56 4 80.3 19.1
127 3 7 1 28.364 56.728 0.308 6.55 4 51.1 7.7
128 2 2 -4 28.408 56.816 0.309 6.53 4 39.4 4.6
129 5 1 1 28.423 56.846 0.309 6.52 4 112.0 37.0
130 6 2 -2 28.434 56.868 0.309 6.51 4 80.2 19.0
131 0 8 2 28.447 56.895 0.309 6.51 4 137.5 55.6
132 1 1 -4 28.563 57.126 0.31 6.45 4 83.5 20.3
133 4 0 2 28.814 57.627 0.313 6.32 2 273.3 106.7
134 0 6 3 28.859 57.718 0.313 6.3 4 128.8 47.2
135 3 5 2 28.905 57.81 0.314 6.28 4 75.5 16.2
136 1 5 3 28.951 57.902 0.314 6.25 4 168.2 80.0
137 5 5 0 28.971 57.941 0.314 6.24 4 27.4 2.1
138 4 0 -4 29.13 58.26 0.316 6.17 2 148.2 30.6
139 1 9 1 29.214 58.428 0.317 6.13 4 26.5 2.0
140 4 2 2 29.506 59.012 0.32 5.99 4 55.1 8.2
141 3 3 -4 29.523 59.046 0.32 5.98 4 113.5 34.9
142 6 0 0 29.688 59.376 0.321 5.91 2 34.5 1.6
143 5 3 1 29.809 59.618 0.323 5.86 4 93.2 23.0
144 4 2 -4 29.817 59.635 0.323 5.85 4 24.1 1.5
145 4 6 1 29.84 59.679 0.323 5.84 4 70.4 13.1
146 6 0 -3 29.921 59.842 0.324 5.81 2 96.0 12.1
147 1 3 -4 29.945 59.89 0.324 5.8 4 30.7 2.5
148 0 0 4 29.977 59.953 0.324 5.78 2 93.7 11.5
149 1 7 -3 30.024 60.048 0.325 5.76 4 30.9 2.5
150 4 6 -3 30.046 60.093 0.325 5.75 4 152.7 60.7
151 2 4 3 30.293 60.587 0.327 5.65 4 33.2 2.8
152 6 2 0 30.368 60.736 0.328 5.62 4 31.8 2.6
153 6 4 -1 30.421 60.842 0.329 5.6 4 83.9 17.8
154 0 10 0 30.463 60.926 0.329 5.58 2 7.4 0.1
155 2 4 -4 30.472 60.945 0.329 5.58 4 90.1 20.4
156 6 4 -2 30.498 60.995 0.329 5.57 4 90.2 20.5
157 4 8 -1 30.572 61.144 0.33 5.54 4 104.2 27.2
158 6 2 -3 30.598 61.196 0.33 5.52 4 37.1 3.4
159 3 7 -3 30.607 61.215 0.33 5.52 4 163.9 67.1
160 0 2 4 30.653 61.305 0.331 5.5 4 34.9 3.0
161 5 5 -3 30.718 61.436 0.332 5.48 4 22.4 1.2
162 1 9 -2 30.801 61.602 0.332 5.44 4 157.5 61.1
163 3 9 -1 30.807 61.615 0.332 5.44 4 44.3 4.8
164 3 9 0 31.275 62.551 0.337 5.26 4 58.3 8.1
165 5 1 -4 31.334 62.669 0.338 5.24 4 109.1 28.2
166 0 10 1 31.476 62.952 0.339 5.19 4 80.2 15.1
167 3 1 3 31.486 62.971 0.339 5.19 4 119.1 33.3
168 4 4 2 31.526 63.052 0.339 5.17 4 9.5 0.2
169 4 8 0 31.533 63.066 0.339 5.17 4 44.9 4.7
170 5 7 -1 31.555 63.11 0.34 5.16 4 47.2 5.2
171 4 8 -2 31.633 63.267 0.34 5.13 4 105.2 25.7
172 4 4 -4 31.826 63.652 0.342 5.07 4 38.9 3.5
173 5 7 -2 32.116 64.232 0.345 4.97 4 42.2 4.0
174 3 5 -4 32.2 64.399 0.346 4.94 4 37.3 3.1
175 2 10 0 32.221 64.442 0.346 4.93 4 8.1 0.1
176 2 8 2 32.24 64.481 0.346 4.93 4 54.0 6.5
177 2 10 -1 32.246 64.491 0.346 4.92 4 169.5 64.0
178 3 9 -2 32.348 64.696 0.347 4.89 4 12.1 0.3
179 6 4 0 32.357 64.713 0.347 4.89 4 71.1 11.2
180 2 8 -3 32.364 64.728 0.347 4.88 4 157.5 54.8
181 5 5 1 32.471 64.943 0.348 4.85 4 105.2 24.3
182 1 1 4 32.548 65.097 0.349 4.83 4 54.3 6.4
183 6 4 -3 32.579 65.157 0.35 4.82 4 155.0 52.3
184 1 5 -4 32.601 65.202 0.35 4.81 4 78.0 13.2
185 0 4 4 32.631 65.263 0.35 4.8 4 15.9 0.6
186 5 3 -4 32.646 65.291 0.35 4.79 4 66.9 9.7
187 7 1 -2 32.732 65.464 0.351 4.77 4 21.0 1.0
188 1 9 2 32.749 65.497 0.351 4.76 4 36.0 2.8
189 3 3 3 32.793 65.587 0.352 4.75 4 63.8 8.7
190 3 7 2 32.918 65.835 0.353 4.71 4 39.3 3.3
191 1 7 3 32.961 65.921 0.353 4.7 4 27.3 1.6
192 5 7 0 32.979 65.957 0.353 4.69 4 43.2 4.0
193 7 1 -1 33.136 66.273 0.355 4.64 4 115.6 28.1
194 0 8 3 33.518 67.036 0.358 4.53 4 74.2 11.3
195 2 6 3 33.576 67.151 0.359 4.52 4 23.2 1.1
196 6 0 1 33.619 67.237 0.359 4.5 2 42.4 1.8
197 6 6 -1 33.696 67.393 0.36 4.48 4 24.8 1.2
198 3 9 1 33.705 67.411 0.36 4.48 4 16.5 0.5
199 2 6 -4 33.745 67.49 0.361 4.47 4 46.1 4.3
200 6 6 -2 33.769 67.538 0.361 4.46 4 64.8 8.5
201 1 3 4 33.834 67.669 0.361 4.44 4 95.1 18.2
202 5 1 2 33.919 67.839 0.362 4.42 4 37.8 2.9
203 6 0 -4 33.981 67.962 0.363 4.4 2 51.3 2.6
204 7 3 -2 34.015 68.029 0.363 4.39 4 142.9 40.6
205 2 10 1 34.148 68.297 0.364 4.36 4 114.1 25.7
206 2 10 -2 34.22 68.441 0.365 4.34 4 36.5 2.6
207 6 2 1 34.255 68.509 0.365 4.33 4 59.4 6.9
208 7 1 -3 34.274 68.548 0.366 4.33 4 62.9 7.7
209 1 11 0 34.316 68.632 0.366 4.32 4 27.4 1.5
210 7 3 -1 34.411 68.822 0.367 4.29 4 100.4 19.6
211 0 10 2 34.416 68.831 0.367 4.29 4 56.9 6.3
212 4 8 1 34.422 68.844 0.367 4.29 4 100.9 19.7
213 5 7 -3 34.611 69.221 0.369 4.24 4 76.2 11.1
214 4 8 -3 34.614 69.227 0.369 4.24 4 101.9 19.9
215 6 2 -4 34.614 69.228 0.369 4.24 4 97.6 18.3
216 4 6 2 34.745 69.49 0.37 4.21 4 56.0 6.0
217 1 11 -1 34.806 69.612 0.371 4.19 4 49.1 4.6
218 4 6 -4 35.031 70.062 0.373 4.14 4 35.1 2.3
219 5 3 2 35.181 70.361 0.374 4.1 4 35.7 2.4
220 5 5 -4 35.191 70.381 0.374 4.1 4 71.6 9.5
221 1 9 -3 35.221 70.441 0.374 4.09 4 29.7 1.6
222 3 5 3 35.333 70.667 0.375 4.07 4 39.4 2.8
223 7 1 0 35.454 70.907 0.377 4.04 4 41.7 3.2
224 7 3 -3 35.529 71.059 0.377 4.02 4 71.0 9.2
225 2 0 4 35.533 71.065 0.377 4.02 2 63.7 3.7
226 6 6 0 35.537 71.074 0.377 4.02 4 57.2 5.9
227 3 1 -5 35.661 71.322 0.378 3.99 4 40.7 3.0
228 4 0 3 35.713 71.425 0.379 3.98 2 59.0 3.1
229 1 11 1 35.731 71.461 0.379 3.98 4 21.3 0.8
230 2 0 -5 35.745 71.49 0.379 3.97 2 112.4 11.4
231 6 6 -3 35.75 71.499 0.379 3.97 4 28.0 1.4
232 3 9 -3 35.758 71.517 0.379 3.97 4 52.6 5.0
233 0 6 4 35.8 71.6 0.38 3.96 4 53.8 5.2
234 3 7 -4 36.009 72.018 0.382 3.92 4 50.1 4.5
235 4 0 -5 36.089 72.178 0.382 3.9 2 73.6 4.8
236 6 4 1 36.131 72.262 0.383 3.89 4 58.3 6.0
237 2 2 4 36.153 72.306 0.383 3.89 4 39.0 2.7
238 5 7 1 36.267 72.534 0.384 3.86 4 33.3 1.9
239 4 2 3 36.332 72.663 0.385 3.85 4 18.0 0.6
240 1 5 4 36.34 72.68 0.385 3.85 4 113.6 22.4
241 4 10 -1 36.345 72.69 0.385 3.85 4 73.7 9.5
242 2 2 -5 36.364 72.728 0.385 3.84 4 55.3 5.3
243 1 7 -4 36.39 72.78 0.385 3.84 4 26.9 1.3
244 6 4 -4 36.482 72.964 0.386 3.82 4 91.6 14.5
245 7 5 -2 36.515 73.029 0.386 3.81 4 3.0 0.0
246 5 9 -1 36.638 73.275 0.387 3.79 4 32.1 1.8
247 7 3 0 36.691 73.383 0.388 3.78 4 52.5 4.7
248 4 2 -5 36.705 73.411 0.388 3.78 4 38.6 2.5
249 3 3 -5 36.896 73.792 0.39 3.74 4 36.2 2.2
250 7 5 -1 36.899 73.799 0.39 3.74 4 14.0 0.3
251 1 1 -5 36.955 73.91 0.39 3.73 4 60.4 6.2
252 5 9 -2 37.161 74.322 0.392 3.69 4 10.7 0.2
253 1 11 -2 37.169 74.338 0.392 3.69 4 19.3 0.6
254 3 11 -1 37.175 74.349 0.392 3.69 4 23.4 0.9
255 4 10 0 37.23 74.461 0.393 3.68 4 20.0 0.7
256 4 10 -2 37.323 74.646 0.394 3.66 4 74.4 9.2
257 0 12 0 37.472 74.944 0.395 3.63 2 93.7 7.2
258 3 11 0 37.603 75.206 0.396 3.61 4 102.8 17.3
259 5 1 -5 37.633 75.265 0.396 3.61 4 27.8 1.3
260 5 5 2 37.648 75.295 0.396 3.6 4 44.9 3.3
261 7 1 -4 37.65 75.299 0.396 3.6 4 105.8 18.2
262 8 0 -2 37.867 75.735 0.398 3.57 2 116.3 10.9
263 2 10 2 37.887 75.774 0.399 3.56 4 10.5 0.2
264 3 9 2 37.913 75.826 0.399 3.56 4 91.7 13.5
265 2 8 3 37.928 75.856 0.399 3.56 4 89.4 12.8
266 1 9 3 37.954 75.907 0.399 3.55 4 109.9 19.4
267 5 9 0 37.971 75.941 0.399 3.55 4 58.7 5.5
268 7 5 -3 37.987 75.975 0.4 3.55 4 13.2 0.3
269 2 4 4 37.991 75.981 0.4 3.55 4 75.5 9.1
270 2 10 -3 38.002 76.004 0.4 3.54 4 123.6 24.5
271 6 8 -1 38.043 76.085 0.4 3.54 4 65.0 6.8
272 2 8 -4 38.089 76.178 0.4 3.53 4 36.9 2.2
273 6 8 -2 38.112 76.223 0.401 3.53 4 36.2 2.1
274 4 4 3 38.166 76.332 0.401 3.52 4 107.5 18.4
275 1 3 -5 38.174 76.348 0.401 3.52 4 16.7 0.4
276 2 4 -5 38.198 76.395 0.401 3.51 4 31.0 1.5
277 0 12 1 38.394 76.788 0.403 3.48 4 56.5 5.0
278 8 2 -2 38.474 76.947 0.404 3.47 4 34.4 1.9
279 4 4 -5 38.533 77.067 0.404 3.46 4 29.4 1.3
280 3 11 -2 38.593 77.186 0.405 3.45 4 6.9 0.1
281 0 0 5 38.65 77.3 0.405 3.44 2 97.0 7.3
282 8 0 -1 38.695 77.39 0.406 3.43 2 131.3 13.4
283 5 3 -5 38.844 77.689 0.407 3.41 4 24.1 0.9
284 7 3 -4 38.861 77.723 0.407 3.41 4 199.2 61.2
285 5 7 -4 38.869 77.738 0.407 3.41 4 117.9 21.4
286 8 0 -3 38.878 77.756 0.407 3.41 2 119.1 10.9
287 1 11 2 38.965 77.93 0.408 3.39 4 12.8 0.3
288 3 7 3 39.006 78.013 0.409 3.39 4 29.3 1.3
289 4 8 2 39.043 78.087 0.409 3.38 4 95.1 13.8
290 2 12 0 39.078 78.156 0.409 3.38 4 95.5 13.9
291 0 10 3 39.083 78.165 0.409 3.38 4 102.1 15.9
292 2 12 -1 39.101 78.202 0.409 3.38 4 15.8 0.4
293 7 5 0 39.123 78.245 0.41 3.37 4 55.0 4.6
294 6 0 2 39.172 78.345 0.41 3.36 2 86.3 5.7
295 6 6 1 39.177 78.355 0.41 3.36 4 53.4 4.3
296 0 2 5 39.252 78.505 0.411 3.35 4 18.6 0.5
297 8 2 -1 39.297 78.594 0.411 3.35 4 46.9 3.3
298 4 8 -4 39.317 78.634 0.411 3.34 4 94.7 13.6
299 3 5 -5 39.323 78.645 0.411 3.34 4 71.2 7.7
300 8 2 -3 39.479 78.959 0.413 3.32 4 41.2 2.6
301 3 1 4 39.513 79.026 0.413 3.32 4 5.1 0.0
302 5 9 -3 39.516 79.032 0.413 3.32 4 14.8 0.3
303 6 6 -4 39.519 79.038 0.413 3.32 4 14.3 0.3
304 7 1 1 39.541 79.082 0.413 3.31 4 163.8 40.2
305 6 0 -5 39.651 79.301 0.414 3.3 2 50.4 1.9
306 6 2 2 39.773 79.545 0.415 3.28 4 17.9 0.5
307 6 8 0 39.803 79.607 0.416 3.28 4 36.8 2.0
308 3 11 1 39.859 79.718 0.416 3.27 4 13.8 0.3
309 4 10 1 39.936 79.872 0.417 3.26 4 71.2 7.5
310 1 7 4 39.98 79.96 0.417 3.26 4 35.2 1.8
311 6 8 -3 40.008 80.015 0.417 3.25 4 11.7 0.2
312 0 8 4 40.056 80.113 0.418 3.25 4 61.6 5.6
313 4 10 -3 40.118 80.235 0.418 3.24 4 46.3 3.1
314 7 7 -2 40.149 80.299 0.419 3.24 4 49.8 3.6
315 6 2 -5 40.249 80.498 0.419 3.22 4 21.9 0.7
316 8 4 -2 40.276 80.552 0.42 3.22 4 60.4 5.3
317 7 7 -1 40.523 81.046 0.422 3.19 4 123.5 22.0
318 1 5 -5 40.577 81.154 0.422 3.19 4 20.6 0.6
319 3 3 4 40.709 81.418 0.423 3.17 4 75.4 8.1
320 7 3 1 40.736 81.473 0.424 3.17 4 118.2 20.0
321 5 1 3 40.828 81.656 0.424 3.16 4 34.5 1.7
322 3 9 -4 40.854 81.708 0.425 3.15 4 52.4 3.9
323 2 12 1 40.871 81.743 0.425 3.15 4 34.9 1.7
324 2 12 -2 40.939 81.878 0.425 3.14 4 67.6 6.5
325 2 6 4 40.993 81.985 0.426 3.14 4 67.5 6.5
326 0 4 5 41.045 82.091 0.426 3.13 4 240.2 81.7
327 8 4 -1 41.09 82.179 0.427 3.13 4 17.2 0.4
328 5 9 1 41.102 82.204 0.427 3.13 4 56.5 4.5
329 0 12 2 41.123 82.245 0.427 3.12 4 72.9 7.5
330 4 6 3 41.164 82.329 0.427 3.12 4 17.7 0.4
331 2 6 -5 41.196 82.391 0.428 3.12 4 60.3 5.1
332 1 9 -4 41.221 82.441 0.428 3.11 4 122.1 21.0
333 5 5 -5 41.237 82.474 0.428 3.11 4 16.4 0.4
334 5 7 2 41.252 82.504 0.428 3.11 4 107.2 16.2
335 7 5 -4 41.254 82.508 0.428 3.11 4 91.4 11.7
336 8 4 -3 41.27 82.54 0.428 3.11 4 51.5 3.7
337 1 11 -3 41.29 82.58 0.428 3.11 4 96.8 13.2
338 8 0 0 41.328 82.656 0.429 3.1 2 89.7 5.6
339 1 1 5 41.409 82.818 0.429 3.1 4 30.9 1.3
340 4 6 -5 41.525 83.05 0.43 3.08 4 72.0 7.2
341 6 4 2 41.561 83.121 0.431 3.08 4 11.8 0.2
342 7 7 -3 41.584 83.167 0.431 3.08 4 43.2 2.6
343 1 13 0 41.623 83.246 0.431 3.07 4 33.2 1.5
344 8 0 -4 41.688 83.376 0.432 3.07 2 144.8 14.5
345 3 11 -3 41.802 83.604 0.433 3.06 4 23.0 0.7
346 8 2 0 41.921 83.843 0.434 3.05 4 5.1 0.0
347 5 3 3 42.015 84.031 0.434 3.04 4 22.6 0.7
348 6 4 -5 42.033 84.065 0.435 3.04 4 66.7 6.1
349 1 13 -1 42.084 84.167 0.435 3.03 4 71.3 7.0
350 8 2 -4 42.281 84.561 0.437 3.01 4 28.3 1.1
351 1 3 5 42.594 85.188 0.439 2.99 4 15.3 0.3
352 5 11 -1 42.644 85.288 0.44 2.98 4 133.2 23.9
353 7 7 0 42.696 85.391 0.44 2.98 4 68.9 6.4
354 7 1 -5 42.723 85.446 0.44 2.98 4 17.4 0.4
355 3 7 -5 42.892 85.784 0.442 2.96 4 86.6 10.0
356 4 12 -1 42.954 85.908 0.442 2.96 4 70.6 6.7
357 1 13 1 42.959 85.917 0.442 2.96 4 51.8 3.6
358 3 5 4 43.08 86.159 0.443 2.95 4 57.3 4.4
359 7 5 1 43.107 86.214 0.444 2.95 4 47.3 3.0
360 5 11 -2 43.148 86.296 0.444 2.94 4 92.3 11.3
361 8 6 -2 43.241 86.483 0.445 2.94 4 64.5 5.5
362 2 10 3 43.3 86.6 0.445 2.93 4 94.9 11.9
363 6 8 1 43.34 86.68 0.446 2.93 4 109.1 15.8
364 6 10 -1 43.412 86.823 0.446 2.92 4 98.2 12.7
365 2 10 -4 43.457 86.914 0.446 2.92 4 17.7 0.4
366 6 10 -2 43.479 86.958 0.447 2.92 4 89.1 10.5
367 5 9 -4 43.628 87.255 0.448 2.91 4 57.6 4.4
368 6 8 -4 43.675 87.351 0.448 2.91 4 23.7 0.7
369 8 4 0 43.694 87.388 0.448 2.9 4 48.3 3.1
370 3 9 3 43.762 87.524 0.449 2.9 4 101.5 13.5
371 4 12 0 43.805 87.609 0.449 2.9 4 104.1 14.2
372 9 1 -2 43.853 87.706 0.45 2.89 4 53.4 3.7
373 4 0 4 43.875 87.75 0.45 2.89 2 188.9 23.3
374 3 11 2 43.876 87.751 0.45 2.89 4 99.3 12.9
375 4 12 -2 43.894 87.788 0.45 2.89 4 74.9 7.3
376 7 3 -5 43.903 87.806 0.45 2.89 4 37.8 1.9
377 1 11 3 43.915 87.83 0.45 2.89 4 17.7 0.4
378 5 11 0 43.931 87.863 0.45 2.89 4 106.0 14.7
379 0 6 5 44.003 88.006 0.451 2.88 4 80.4 8.4
380 8 6 -1 44.047 88.094 0.451 2.88 4 72.9 6.9
381 8 4 -4 44.052 88.103 0.451 2.88 4 59.7 4.6
382 1 7 -5 44.129 88.258 0.452 2.88 4 32.4 1.4
383 8 6 -3 44.226 88.452 0.453 2.87 4 55.1 3.9
384 4 0 -6 44.322 88.645 0.454 2.86 2 112.3 8.2
385 1 13 -2 44.335 88.67 0.454 2.86 4 25.9 0.9
386 3 13 -1 44.34 88.681 0.454 2.86 4 17.6 0.4
387 3 1 -6 44.352 88.703 0.454 2.86 4 92.7 11.1
388 5 5 3 44.377 88.754 0.454 2.86 4 72.2 6.7
389 4 10 2 44.388 88.775 0.454 2.86 4 56.3 4.1
390 9 1 -3 44.401 88.802 0.454 2.86 4 34.3 1.5
391 2 12 2 44.439 88.879 0.454 2.86 4 127.5 21.0
392 4 2 4 44.465 88.929 0.455 2.86 4 50.4 3.3
393 6 6 2 44.514 89.028 0.455 2.85 4 53.8 3.7
394 2 12 -3 44.551 89.102 0.455 2.85 4 27.3 1.0
395 2 0 5 44.622 89.243 0.456 2.85 2 171.8 19.0
396 4 10 -4 44.656 89.312 0.456 2.85 4 3.7 0.0
397 1 9 4 44.718 89.436 0.457 2.84 4 29.6 1.1
398 3 13 0 44.754 89.508 0.457 2.84 4 52.8 3.6
399 5 7 -5 44.782 89.565 0.457 2.84 4 90.1 10.4
400 7 7 -4 44.799 89.598 0.457 2.84 4 40.2 2.1
401 2 0 -6 44.867 89.735 0.458 2.84 2 68.1 3.0
402 7 9 -2 44.885 89.77 0.458 2.83 4 81.2 8.4
403 4 2 -6 44.911 89.823 0.458 2.83 4 72.7 6.8
404 1 5 5 44.953 89.906 0.459 2.83 4 42.8 2.3
405 6 6 -5 44.983 89.967 0.459 2.83 4 69.9 6.2
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 1 1 0 5.559 11.118 7.95153 60.2 6.7 6.8 5.6
2 0 2 0 5.82 11.639 7.59675 37.5 4.2 4.2 5.6
3 1 1 -1 7.576 15.151 5.84273 140.7 15.7 15.8 5.6
4 0 2 1 9.258 18.517 4.78776 51.0 5.7 5.7 5.6
5 2 0 0 9.503 19.005 4.66575 83.2 9.3 9.3 5.6
6 1 3 0 9.965 19.93 4.45119 272.6 30.4 30.6 5.6
7 2 2 0 11.171 22.343 3.97576 98.5 11.0 11.0 5.6
8 2 2 -1 11.23 22.46 3.95527 200.5 22.3 22.5 5.6
9 0 4 0 11.7 23.401 3.79837 165.0 18.4 18.5 5.6
10 1 1 -2 13.761 27.522 3.23821 535.7 59.7 59.8 5.6
11 2 0 1 13.944 27.889 3.19644 52.7 5.9 5.9 5.6
12 0 0 2 14.467 28.934 3.08329 848.0 94.5 94.6 5.6
13 3 1 0 14.642 29.284 3.04729 38.0 4.2 4.2 5.6
14 2 4 0 15.159 30.318 2.94567 897.8 100.0 100.0 5.6
15 2 4 -1 15.203 30.406 2.9373 155.7 17.3 17.3 5.6
16 2 2 -2 15.288 30.576 2.92137 55.6 6.2 6.2 5.6
17 0 2 2 15.641 31.283 2.85695 43.4 4.8 4.8 5.6
18 3 3 -1 16.136 32.273 2.77156 241.3 26.9 26.8 5.6
19 1 5 -1 16.331 32.662 2.73936 16.6 1.9 1.8 5.6
20 3 1 -2 16.5 33.001 2.71205 39.2 4.4 4.4 5.6
21 3 3 0 16.895 33.79 2.65051 223.5 24.9 24.8 5.7
22 1 5 1 17.882 35.763 2.50864 254.3 28.3 28.2 5.7
23 2 4 -2 18.47 36.94 2.43139 53.6 6.0 5.9 5.7
24 3 3 -2 18.552 37.104 2.42099 115.4 12.9 12.8 5.7
25 3 1 1 18.655 37.31 2.40809 15.4 1.7 1.7 5.7
26 0 4 2 18.77 37.54 2.39388 10.5 1.2 1.2 5.7
27 1 3 2 19.146 38.293 2.34855 32.6 3.6 3.6 5.7
28 0 6 1 19.198 38.396 2.34244 65.8 7.3 7.3 5.7
29 4 0 0 19.28 38.56 2.33287 141.1 15.7 15.6 5.7
30 4 0 -2 19.423 38.846 2.31636 169.7 18.9 18.8 5.7
31 1 5 -2 20.115 40.23 2.23981 65.2 7.3 7.2 5.7
32 2 6 0 20.249 40.498 2.22559 57.8 6.4 6.4 5.7
33 2 6 -1 20.283 40.567 2.22198 25.6 2.9 2.8 5.7
34 4 2 -2 20.344 40.688 2.21565 19.5 2.2 2.1 5.7
35 2 0 -3 20.447 40.895 2.20492 152.2 17.0 16.8 5.7
36 3 3 1 20.521 41.041 2.19739 46.6 5.2 5.1 5.7
37 3 5 0 20.755 41.51 2.17362 17.7 2.0 2.0 5.7
38 2 2 2 21.166 42.332 2.1333 15.1 1.7 1.7 5.7
39 2 2 -3 21.332 42.663 2.11753 52.2 5.8 5.8 5.7
40 1 7 0 21.368 42.736 2.11407 25.7 2.9 2.8 5.7
41 4 4 -1 21.584 43.168 2.09393 208.8 23.3 23.0 5.7
42 3 1 -3 21.629 43.258 2.08977 61.6 6.9 6.8 5.7
43 3 5 -2 22.167 44.333 2.04156 67.8 7.5 7.4 5.7
44 5 1 -1 22.826 45.651 1.98563 69.7 7.8 7.6 5.7
45 4 4 -2 22.923 45.846 1.97764 9.7 1.1 1.1 5.7
46 0 6 2 23.18 46.361 1.95688 30.2 3.4 3.3 5.7
47 3 3 -3 23.298 46.595 1.94758 15.6 1.7 1.7 5.7
48 2 4 2 23.673 47.346 1.91841 442.0 49.2 48.4 5.7
49 3 5 1 23.89 47.779 1.90204 9.6 1.1 1.1 5.7
50 0 8 0 23.928 47.855 1.89919 155.0 17.3 17.0 5.7
51 5 3 -1 24.43 48.86 1.86246 101.3 11.3 11.1 5.7
52 5 1 0 24.572 49.144 1.85238 18.1 2.0 2.0 5.7
53 0 8 1 25.112 50.223 1.81506 105.4 11.7 11.5 5.8
54 0 4 3 25.22 50.439 1.80779 149.5 16.7 16.3 5.8
55 4 6 -1 25.602 51.205 1.78255 75.3 8.4 8.2 5.8
56 2 8 -1 25.998 51.996 1.75726 138.7 15.5 15.1 5.8
57 4 4 1 26.29 52.58 1.73911 41.5 4.6 4.5 5.8
58 3 5 -3 26.389 52.778 1.73305 13.5 1.5 1.5 5.8
59 4 4 -3 26.515 53.029 1.72544 58.1 6.5 6.3 5.8
60 3 7 -2 26.853 53.707 1.70525 13.3 1.5 1.4 5.8
61 1 7 2 27.302 54.603 1.67936 10.7 1.2 1.2 5.8
62 5 5 -1 27.427 54.855 1.67225 40.2 4.5 4.4 5.8
63 2 8 1 28.149 56.299 1.63273 41.7 4.6 4.5 5.8
64 1 9 -1 28.179 56.359 1.63115 26.8 3.0 2.9 5.8
65 2 8 -2 28.23 56.46 1.62846 17.0 1.9 1.8 5.8
66 6 2 -1 28.354 56.708 1.62193 26.8 3.0 2.9 5.8
67 6 2 -2 28.434 56.868 1.61774 116.2 12.9 12.6 5.8
68 1 1 -4 28.563 57.126 1.61104 20.3 2.3 2.2 5.8
69 4 0 2 28.814 57.627 1.59822 106.7 11.9 11.5 5.8
70 0 6 3 28.859 57.718 1.59592 47.2 5.3 5.1 5.8
71 3 5 2 28.905 57.81 1.59361 16.2 1.8 1.8 5.8
72 1 5 3 28.951 57.902 1.59128 82.1 9.1 8.9 5.8
73 4 0 -4 29.13 58.26 1.58236 30.6 3.4 3.3 5.8
74 3 3 -4 29.523 59.046 1.56315 43.1 4.8 4.7 5.8
75 5 3 1 29.809 59.618 1.54953 24.5 2.7 2.6 5.8
76 4 6 1 29.84 59.679 1.54807 13.1 1.5 1.4 5.8
77 6 0 -3 29.921 59.842 1.54424 14.6 1.6 1.6 5.8
78 0 0 4 29.977 59.953 1.54165 11.5 1.3 1.2 5.8
79 4 6 -3 30.046 60.093 1.5384 63.2 7.0 6.8 5.8
80 6 4 -1 30.421 60.842 1.52125 17.8 2.0 1.9 5.8
81 6 4 -2 30.498 60.995 1.51779 40.9 4.6 4.4 5.8
82 4 8 -1 30.572 61.144 1.51444 30.6 3.4 3.3 5.8
83 3 7 -3 30.607 61.215 1.51286 67.1 7.5 7.2 5.8
84 1 9 -2 30.801 61.602 1.50428 65.9 7.3 7.1 5.8
85 5 1 -4 31.334 62.669 1.48121 28.2 3.1 3.0 5.8
86 3 1 3 31.486 62.971 1.47483 48.4 5.4 5.2 5.9
87 5 7 -1 31.555 63.11 1.47192 9.9 1.1 1.1 5.9
88 4 8 -2 31.633 63.267 1.46865 25.7 2.9 2.8 5.9
89 2 10 -1 32.246 64.491 1.44369 70.5 7.8 7.5 5.9
90 2 8 -3 32.364 64.728 1.43898 65.9 7.3 7.1 5.9
91 5 5 1 32.471 64.943 1.43473 24.3 2.7 2.6 5.9
92 6 4 -3 32.579 65.157 1.43054 65.5 7.3 7.0 5.9
93 5 3 -4 32.646 65.291 1.42792 9.7 1.1 1.0 5.9
94 7 1 -1 33.136 66.273 1.40913 28.1 3.1 3.0 5.9
95 0 8 3 33.518 67.036 1.39493 11.3 1.3 1.2 5.9
96 6 6 -2 33.769 67.538 1.38578 12.7 1.4 1.4 5.9
97 1 3 4 33.834 67.669 1.38342 18.2 2.0 1.9 5.9
98 7 3 -2 34.015 68.029 1.37696 40.6 4.5 4.3 5.9
99 2 10 1 34.148 68.297 1.37222 25.7 2.9 2.7 5.9
100 7 1 -3 34.274 68.548 1.3678 14.6 1.6 1.6 5.9
101 4 8 1 34.422 68.844 1.36263 45.6 5.1 4.8 5.9
102 6 2 -4 34.614 69.228 1.35603 49.3 5.5 5.2 5.9
103 5 5 -4 35.191 70.381 1.3366 11.9 1.3 1.3 5.9
104 7 3 -3 35.529 71.059 1.3255 18.8 2.1 2.0 5.9
105 2 0 -5 35.745 71.49 1.31857 17.7 2.0 1.9 5.9
106 1 5 4 36.34 72.68 1.29989 37.2 4.1 3.9 6.0
107 6 4 -4 36.482 72.964 1.29552 14.5 1.6 1.5 6.0
108 4 10 -2 37.323 74.646 1.27044 9.2 1.0 1.0 6.0
109 3 11 0 37.603 75.206 1.26236 18.5 2.1 1.9 6.0
110 7 1 -4 37.65 75.299 1.26103 21.5 2.4 2.3 6.0
111 8 0 -2 37.867 75.735 1.25486 11.1 1.2 1.2 6.0
112 3 9 2 37.913 75.826 1.25357 26.4 2.9 2.8 6.0
113 1 9 3 37.954 75.907 1.25244 24.9 2.8 2.6 6.0
114 2 10 -3 38.002 76.004 1.25109 33.6 3.7 3.5 6.0
115 4 4 3 38.166 76.332 1.24653 18.8 2.1 2.0 6.0
116 8 0 -1 38.695 77.39 1.23211 13.4 1.5 1.4 6.0
117 7 3 -4 38.861 77.723 1.22766 93.5 10.4 9.8 6.0
118 4 8 2 39.043 78.087 1.22284 13.8 1.5 1.4 6.0
119 0 10 3 39.083 78.165 1.22181 30.2 3.4 3.2 6.0
120 6 0 2 39.172 78.345 1.21946 10.0 1.1 1.0 6.0
121 3 5 -5 39.323 78.645 1.21555 24.6 2.7 2.6 6.0
122 7 1 1 39.541 79.082 1.20993 40.2 4.5 4.2 6.0
123 7 7 -1 40.523 81.046 1.18549 22.0 2.4 2.3 6.1
124 7 3 1 40.736 81.473 1.18036 28.1 3.1 2.9 6.1
125 0 4 5 41.045 82.091 1.17303 81.7 9.1 8.4 6.1
126 0 12 2 41.123 82.245 1.17122 12.0 1.3 1.2 6.1
127 1 9 -4 41.221 82.441 1.16893 26.1 2.9 2.7 6.1
128 5 7 2 41.252 82.504 1.16821 31.6 3.5 3.3 6.1
129 1 11 -3 41.29 82.58 1.16732 13.2 1.5 1.4 6.1
130 8 0 -4 41.688 83.376 1.15818 14.5 1.6 1.5 6.1
131 5 11 -1 42.644 85.288 1.13705 23.9 2.7 2.5 6.1
132 3 7 -5 42.892 85.784 1.13173 10.0 1.1 1.0 6.1
133 4 12 -1 42.954 85.908 1.13042 10.3 1.1 1.0 6.1
134 5 11 -2 43.148 86.296 1.12633 11.3 1.3 1.2 6.1
135 2 10 3 43.3 86.6 1.12315 11.9 1.3 1.2 6.1
136 6 8 1 43.34 86.68 1.12233 15.8 1.8 1.6 6.1
137 6 10 -1 43.412 86.823 1.12084 12.7 1.4 1.3 6.1
138 6 10 -2 43.479 86.958 1.11945 10.5 1.2 1.1 6.1
139 3 9 3 43.762 87.524 1.11366 13.5 1.5 1.4 6.2
140 4 12 0 43.805 87.609 1.1128 14.2 1.6 1.4 6.2
141 3 11 2 43.876 87.751 1.11136 49.6 5.5 5.1 6.2
142 5 11 0 43.931 87.863 1.11024 14.7 1.6 1.5 6.2
143 8 6 -1 44.047 88.094 1.10792 11.6 1.3 1.2 6.2
144 3 1 -6 44.352 88.703 1.10188 32.9 3.7 3.3 6.2
145 2 12 2 44.439 88.879 1.10016 24.3 2.7 2.5 6.2
146 2 0 5 44.622 89.243 1.09661 19.0 2.1 1.9 6.2
147 5 7 -5 44.782 89.565 1.0935 16.1 1.8 1.6 6.2
148 7 9 -2 44.885 89.77 1.09153 18.2 2.0 1.8 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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