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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CURETONITE
1
Ba[(Al,Ti)PO(4)(OH,O)F]
Monoclinic P 2(1)/n Z = 4
R =0.037 NR =2688
22 .9 .1995
Ref.Str.:
Cooper M., Hawtorne F.C. (1994)
* Amer. Mineral., 79, 545-549
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.977 alpha = 90.0
b = 12.564 beta = 102.15
c = 5.223 gamma = 90.0
Unit cell volume (cub. angs.) = 447.59
Molar volume ( cub.cm/mol.) = 67.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.316 0.3209 0.4591 0.0 Ba = 1.00
2 0.3036 0.1135 0.9306 0.0 P = 1.00
3 0.0 0.5 0.0 0.0 Al = 0.66, Ti = 0.34
4 0.5 0.5 0.0 0.0 Al = 1.00
5 0.2105 0.2235 0.93 0.0 O = 1.00
6 0.433 0.0927 0.203 0.0 O = 1.00
7 0.9416 0.3858 0.229 0.0 O = 1.00
8 0.2636 0.4474 0.0679 0.0 O = 1.00
9 0.6445 0.4724 0.3497 0.0 O = 1.00
10 0.0521 0.1306 0.3945 0.0 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.316 0.3209 0.4591
2 2 0.3036 0.1135 0.9306
3 3 0.0 0.5 0.0
4 4 0.5 0.5 0.0
5 5 0.2105 0.2235 0.93
6 6 0.433 0.0927 0.203
7 7 0.9416 0.3858 0.229
8 8 0.2636 0.4474 0.0679
9 9 0.6445 0.4724 0.3497
10 10 0.0521 0.1306 0.3945
11 1 0.684 0.6791 0.5409
12 2 0.6964 0.8865 0.0694
13 5 0.7895 0.7765 0.07
14 6 0.567 0.9073 0.797
15 7 0.0584 0.6142 0.771
16 8 0.7364 0.5526 0.9321
17 9 0.3555 0.5276 0.6503
18 10 0.9479 0.8694 0.6055
19 1 0.816 0.1791 0.9591
20 2 0.8036 0.3865 0.4306
21 3 0.5 0.0 0.5
22 4 0.0 0.0 0.5
23 5 0.7105 0.2765 0.43
24 6 0.933 0.4073 0.703
25 7 0.4416 0.1142 0.729
26 8 0.7636 0.0526 0.5679
27 9 0.1445 0.0276 0.8497
28 10 0.5521 0.3694 0.8945
29 1 0.184 0.8209 0.0409
30 2 0.1964 0.6135 0.5694
31 5 0.2895 0.7235 0.57
32 6 0.067 0.5927 0.297
33 7 0.5584 0.8858 0.271
34 8 0.2364 0.9474 0.4321
35 9 0.8555 0.9724 0.1503
36 10 0.4479 0.6306 0.1055
X-ray density (g/cm cub.) = 4.42
MU (1/cm) = 765.95 Mass attenuation coefficient (cm**2/g) = 173.349
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.288 10
2.975 5
2.9698 5
2.7589 7
2.5534 8
3.1231 9
2.9932 10
2.7752 9
2.8436 5
2.9966 7
2.5845 10
2 P 2.232 4
1.5268 5
1.5385 6
1.5693 7
1.5421 9
3 Al ,Ti 2.568 6
1.9648 7
1.9158 8
1.9648 7
1.9158 8
1.9173 6
1.9173 6
4 Al 2.316 6
1.8786 8
1.9229 9
1.8786 8
1.9229 9
1.7923 10
1.7923 10
5 O 3.264 8
2.4924 6
2.9081 8
3.0981 10
3.0175 10
3.0856 6
2.51 7
2.5228 9
3.0432 10
6 O 3.264 9
2.4924 5
3.0673 10
3.0856 5
2.7486 7
2.5036 7
2.7122 8
2.5617 9
2.7419 7
2.7087 8
7 O 3.264 8
2.6739 8
2.5354 9
2.8128 8
2.51 5
2.5036 6
2.7486 6
2.9123 10
2.7419 6
8 O 3.264 10
2.9081 5
2.6739 7
2.7715 9
2.8128 7
3.1398 9
2.6024 9
2.7122 6
2.569 10
2.7087 6
2.6237 10
9 O 3.264 9
2.5354 7
2.7715 8
3.1398 8
2.6024 8
2.8886 9
2.5228 5
2.5617 6
2.6641 10
2.5928 10
10 F 3.228 9
3.0175 5
3.0981 5
3.0673 6
3.0432 5
2.9123 7
2.569 8
2.6641 9
2.6237 8
2.5928 9
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 7.043 14.086 0.08 130.07 2 29.8 115.4
2 1 1 0 7.383 14.766 0.083 118.17 4 15.8 58.6
3 0 1 1 9.372 18.744 0.106 72.5 4 50.6 370.4
4 1 2 0 9.596 19.192 0.108 69.05 4 60.3 501.7
5 1 0 -1 9.692 19.383 0.109 67.65 2 66.3 297.2
6 1 1 -1 10.321 20.642 0.116 59.4 4 95.5 1082.6
7 0 2 1 11.21 22.42 0.126 50.03 4 60.9 369.9
8 1 0 1 11.923 23.846 0.134 43.98 2 36.6 58.7
9 1 2 -1 12.021 24.042 0.135 43.23 4 67.4 392.7
10 1 1 1 12.445 24.89 0.14 40.19 4 97.0 754.6
11 1 3 0 12.464 24.928 0.14 40.07 4 63.2 319.3
12 2 0 0 13.054 26.107 0.147 36.35 2 111.5 451.1
13 2 1 0 13.535 27.07 0.152 33.67 4 136.5 1253.2
14 0 3 1 13.761 27.523 0.154 32.5 4 235.0 3583.6
15 1 2 1 13.901 27.802 0.156 31.81 4 16.7 17.6
16 0 4 0 14.196 28.391 0.159 30.43 2 63.7 123.2
17 1 3 -1 14.438 28.877 0.162 29.35 4 60.0 211.3
18 2 1 -1 14.559 29.118 0.163 28.83 4 106.8 656.2
19 2 2 0 14.892 29.784 0.167 27.47 4 120.0 789.2
20 1 4 0 15.664 31.327 0.175 24.64 4 155.5 1189.1
21 2 2 -1 15.836 31.672 0.177 24.07 4 190.3 1740.2
22 1 3 1 16.058 32.116 0.18 23.36 4 84.8 335.4
23 0 4 1 16.733 33.467 0.187 21.36 4 30.9 40.7
24 2 3 0 16.935 33.869 0.189 20.81 4 14.2 8.4
25 1 4 -1 17.305 34.61 0.193 19.86 4 22.5 20.1
26 0 0 2 17.561 35.121 0.196 19.23 2 210.0 846.9
27 2 1 1 17.644 35.289 0.197 19.03 4 121.3 559.1
28 1 1 -2 17.776 35.551 0.198 18.73 4 21.1 16.6
29 2 3 -1 17.781 35.562 0.198 18.71 4 51.6 99.4
30 0 1 2 17.932 35.863 0.2 18.37 4 122.1 546.9
31 1 4 1 18.703 37.406 0.208 16.75 4 45.0 67.8
32 2 2 1 18.734 37.468 0.208 16.69 4 68.1 154.5
33 1 2 -2 18.858 37.717 0.21 16.44 4 38.9 49.8
34 0 2 2 19.007 38.013 0.211 16.16 4 66.9 144.2
35 1 5 0 19.068 38.135 0.212 16.05 4 98.4 310.4
36 2 4 0 19.475 38.95 0.216 15.31 4 25.9 20.5
37 2 0 -2 19.675 39.351 0.219 14.97 2 103.0 158.5
38 3 0 -1 19.915 39.83 0.221 14.57 2 149.3 324.1
39 0 5 1 19.978 39.955 0.222 14.47 4 86.2 214.7
40 2 1 -2 20.013 40.025 0.222 14.42 4 153.1 674.8
41 3 1 0 20.139 40.278 0.223 14.21 4 76.2 164.7
42 2 4 -1 20.23 40.46 0.224 14.07 4 128.5 464.1
43 3 1 -1 20.249 40.498 0.225 14.04 4 40.9 47.0
44 1 1 2 20.434 40.868 0.227 13.76 4 65.9 119.3
45 2 3 1 20.439 40.877 0.227 13.75 4 169.1 785.2
46 1 5 -1 20.471 40.941 0.227 13.71 4 147.3 593.4
47 1 3 -2 20.555 41.109 0.228 13.58 4 146.2 579.4
48 0 3 2 20.693 41.385 0.229 13.38 4 11.0 3.2
49 2 2 -2 20.997 41.995 0.233 12.95 4 42.7 47.2
50 3 2 0 21.119 42.238 0.234 12.78 4 86.8 192.4
51 3 2 -1 21.225 42.449 0.235 12.64 4 103.9 272.5
52 1 2 2 21.402 42.805 0.237 12.41 4 151.8 571.1
53 0 6 0 21.583 43.166 0.239 12.18 2 138.6 233.3
54 1 5 1 21.695 43.39 0.24 12.03 4 92.1 203.7
55 2 5 0 22.381 44.762 0.247 11.22 4 90.6 183.8
56 2 3 -2 22.56 45.12 0.249 11.02 4 41.3 37.5
57 1 6 0 22.631 45.262 0.25 10.94 4 104.9 240.3
58 2 4 1 22.646 45.292 0.25 10.93 4 95.6 199.3
59 3 3 0 22.675 45.35 0.25 10.89 4 110.3 264.5
60 1 4 -2 22.753 45.506 0.251 10.81 4 77.5 129.7
61 3 3 -1 22.775 45.55 0.251 10.79 4 24.4 12.8
62 0 4 2 22.88 45.761 0.252 10.67 4 17.3 6.4
63 1 3 2 22.943 45.886 0.253 10.61 4 10.0 2.1
64 2 5 -1 23.058 46.116 0.254 10.49 4 106.0 235.5
65 0 6 1 23.427 46.854 0.258 10.12 4 33.8 23.1
66 3 0 1 23.504 47.009 0.259 10.04 2 140.3 197.3
67 3 1 1 23.797 47.595 0.262 9.77 4 48.0 45.0
68 1 6 -1 23.862 47.725 0.263 9.71 4 96.5 180.3
69 3 1 -2 24.086 48.171 0.265 9.5 4 24.1 11.0
70 2 0 2 24.406 48.812 0.268 9.22 2 137.3 173.6
71 2 4 -2 24.616 49.232 0.27 9.04 4 54.0 52.6
72 3 2 1 24.661 49.321 0.271 9.01 4 106.7 204.9
73 2 1 2 24.691 49.382 0.271 8.98 4 16.7 5.0
74 3 4 0 24.723 49.447 0.271 8.95 4 10.3 1.9
75 3 4 -1 24.817 49.634 0.272 8.88 4 13.4 3.2
76 3 2 -2 24.941 49.883 0.274 8.78 4 21.2 7.9
77 1 6 1 24.954 49.909 0.274 8.77 4 33.9 20.1
78 1 4 2 24.975 49.949 0.274 8.75 4 124.2 269.5
79 2 5 1 25.259 50.518 0.277 8.53 4 100.1 170.6
80 1 5 -2 25.358 50.715 0.278 8.45 4 75.9 97.1
81 0 5 2 25.475 50.95 0.279 8.36 4 66.7 74.3
82 2 2 2 25.532 51.063 0.28 8.32 4 133.1 294.2
83 2 6 0 25.573 51.146 0.28 8.29 4 42.9 30.5
84 3 3 1 26.052 52.104 0.285 7.95 4 42.0 28.0
85 2 6 -1 26.187 52.374 0.286 7.86 4 16.8 4.4
86 1 0 -3 26.282 52.564 0.287 7.79 2 117.0 106.4
87 3 3 -2 26.322 52.644 0.288 7.76 4 128.1 254.5
88 1 7 0 26.345 52.689 0.288 7.75 4 12.0 2.2
89 1 1 -3 26.552 53.104 0.29 7.61 4 53.2 43.1
90 4 1 -1 26.7 53.4 0.292 7.52 4 76.1 86.9
91 4 0 0 26.855 53.709 0.293 7.42 2 46.6 16.1
92 2 3 2 26.89 53.781 0.294 7.39 4 9.8 1.4
93 0 7 1 27.059 54.117 0.295 7.29 4 48.5 34.3
94 2 5 -2 27.086 54.173 0.296 7.27 4 85.7 106.8
95 4 1 0 27.121 54.242 0.296 7.25 4 139.1 280.4
96 0 1 3 27.175 54.35 0.296 7.22 4 2.5 0.1
97 3 5 0 27.187 54.374 0.297 7.21 4 156.8 353.9
98 3 5 -1 27.274 54.549 0.297 7.16 4 14.9 3.2
99 1 2 -3 27.352 54.704 0.298 7.11 4 73.8 77.3
100 1 5 2 27.422 54.844 0.299 7.07 4 43.1 26.2
101 1 7 -1 27.451 54.903 0.299 7.06 4 110.7 172.5
102 4 2 -1 27.497 54.994 0.3 7.03 4 118.6 197.3
103 2 1 -3 27.734 55.468 0.302 6.89 4 11.7 1.9
104 4 2 0 27.909 55.819 0.304 6.8 4 34.4 16.1
105 3 4 1 27.916 55.833 0.304 6.79 4 14.6 2.9
106 0 2 3 27.962 55.924 0.304 6.77 4 106.9 154.3
107 3 4 -2 28.174 56.348 0.306 6.65 4 30.0 12.0
108 2 6 1 28.209 56.417 0.307 6.63 4 8.5 0.9
109 1 6 -2 28.3 56.6 0.308 6.58 4 65.2 56.0
110 0 6 2 28.409 56.818 0.309 6.53 4 148.1 285.7
111 1 7 1 28.444 56.888 0.309 6.51 4 181.5 428.0
112 2 2 -3 28.511 57.022 0.31 6.47 4 174.3 392.9
113 1 3 -3 28.651 57.301 0.311 6.4 4 5.5 0.4
114 2 4 2 28.718 57.435 0.312 6.37 4 99.8 126.6
115 4 3 -1 28.791 57.583 0.313 6.33 4 11.9 1.8
116 2 7 0 29.01 58.021 0.315 6.23 4 64.1 51.1
117 4 0 -2 29.181 58.361 0.316 6.14 2 57.9 20.5
118 4 3 0 29.192 58.384 0.317 6.14 4 9.4 1.1
119 0 3 3 29.243 58.487 0.317 6.11 4 166.3 337.8
120 1 0 3 29.273 58.546 0.317 6.1 2 17.7 1.9
121 0 8 0 29.371 58.743 0.318 6.05 2 44.7 12.1
122 4 1 -2 29.433 58.866 0.319 6.03 4 144.3 250.6
123 1 1 3 29.525 59.049 0.32 5.98 4 102.6 125.8
124 2 7 -1 29.575 59.151 0.32 5.96 4 35.2 14.7
125 2 3 -3 29.777 59.554 0.322 5.87 4 48.6 27.7
126 2 6 -2 29.912 59.825 0.324 5.81 4 29.7 10.2
127 3 6 0 30.006 60.013 0.325 5.77 4 13.9 2.2
128 3 6 -1 30.089 60.177 0.325 5.74 4 148.9 254.1
129 3 1 2 30.172 60.344 0.326 5.7 4 35.6 14.4
130 4 2 -2 30.182 60.364 0.326 5.7 4 87.0 86.1
131 3 5 1 30.2 60.399 0.327 5.69 4 38.2 16.6
132 1 8 0 30.219 60.437 0.327 5.68 4 88.8 89.5
133 1 6 2 30.227 60.455 0.327 5.68 4 76.9 67.0
134 1 2 3 30.272 60.544 0.327 5.66 4 12.2 1.7
135 3 0 -3 30.334 60.668 0.328 5.63 2 71.7 28.9
136 1 4 -3 30.409 60.817 0.329 5.6 4 25.2 7.1
137 3 5 -2 30.445 60.89 0.329 5.59 4 158.3 279.6
138 4 4 -1 30.544 61.089 0.33 5.55 4 124.4 171.3
139 3 1 -3 30.58 61.161 0.33 5.53 4 59.6 39.2
140 4 1 1 30.609 61.218 0.331 5.52 4 41.3 18.8
141 0 8 1 30.873 61.747 0.333 5.42 4 19.1 3.9
142 3 2 2 30.91 61.82 0.333 5.4 4 23.5 5.9
143 4 4 0 30.931 61.862 0.334 5.39 4 24.2 6.3
144 2 5 2 30.963 61.927 0.334 5.38 4 28.0 8.4
145 0 4 3 30.98 61.961 0.334 5.37 4 74.4 59.4
146 1 8 -1 31.235 62.471 0.337 5.28 4 115.6 140.9
147 3 2 -3 31.313 62.625 0.337 5.25 4 78.1 64.0
148 4 2 1 31.341 62.682 0.338 5.24 4 110.3 127.3
149 4 3 -2 31.406 62.813 0.338 5.22 4 15.9 2.6
150 2 7 1 31.454 62.909 0.339 5.2 4 64.1 42.7
151 1 3 3 31.494 62.989 0.339 5.18 4 48.9 24.7
152 2 4 -3 31.496 62.993 0.339 5.18 4 122.2 154.4
153 1 7 -2 31.54 63.079 0.34 5.17 4 10.0 1.0
154 0 7 2 31.642 63.283 0.341 5.13 4 46.1 21.8
155 3 3 2 32.118 64.237 0.345 4.97 4 79.4 62.6
156 1 8 1 32.155 64.309 0.345 4.95 4 13.0 1.7
157 3 3 -3 32.513 65.025 0.349 4.84 4 26.8 6.9
158 4 3 1 32.541 65.081 0.349 4.83 4 68.3 44.9
159 1 5 -3 32.585 65.169 0.35 4.81 4 38.4 14.1
160 2 8 0 32.682 65.364 0.351 4.78 4 127.9 156.3
161 4 5 -1 32.715 65.43 0.351 4.77 4 58.2 32.2
162 3 6 1 32.858 65.716 0.352 4.73 4 101.4 97.1
163 2 7 -2 33.057 66.114 0.354 4.67 4 118.6 131.2
164 4 4 -2 33.077 66.154 0.354 4.66 4 114.8 122.7
165 4 5 0 33.088 66.175 0.354 4.66 4 116.8 126.9
166 3 6 -2 33.092 66.184 0.354 4.66 4 34.1 10.8
167 0 5 3 33.135 66.271 0.355 4.64 4 33.7 10.5
168 3 7 0 33.146 66.292 0.355 4.64 4 23.2 5.0
169 1 4 3 33.163 66.326 0.355 4.64 4 10.6 1.0
170 2 8 -1 33.21 66.42 0.356 4.62 4 30.0 8.3
171 3 7 -1 33.224 66.447 0.356 4.62 4 12.2 1.4
172 1 7 2 33.355 66.71 0.357 4.58 4 7.4 0.5
173 2 1 3 33.375 66.75 0.357 4.57 4 107.9 106.3
174 5 0 -1 33.569 67.138 0.359 4.52 2 105.6 50.3
175 2 6 2 33.588 67.176 0.359 4.51 4 51.5 23.9
176 2 5 -3 33.633 67.266 0.36 4.5 4 53.5 25.7
177 3 4 2 33.77 67.54 0.361 4.46 4 109.8 107.3
178 5 1 -1 33.802 67.605 0.361 4.45 4 76.3 51.7
179 2 2 3 34.074 68.149 0.364 4.38 4 45.9 18.4
180 3 4 -3 34.155 68.309 0.364 4.36 4 5.0 0.2
181 4 4 1 34.182 68.364 0.365 4.35 4 123.7 133.0
182 1 9 0 34.278 68.557 0.366 4.33 4 64.9 36.4
183 5 2 -1 34.498 68.995 0.368 4.27 4 60.8 31.5
184 5 1 0 34.61 69.219 0.369 4.24 4 36.4 11.2
185 4 1 -3 34.853 69.706 0.371 4.18 4 80.3 53.8
186 0 9 1 34.892 69.783 0.371 4.17 4 84.6 59.7
187 2 8 1 34.981 69.962 0.372 4.15 4 23.8 4.7
188 1 8 -2 35.062 70.123 0.373 4.13 4 46.9 18.1
189 1 6 -3 35.145 70.291 0.374 4.11 4 121.0 120.2
190 0 8 2 35.158 70.317 0.374 4.11 4 70.6 40.8
191 4 5 -2 35.164 70.329 0.374 4.11 4 102.2 85.6
192 2 3 3 35.226 70.451 0.374 4.09 4 117.1 112.0
193 1 9 -1 35.232 70.464 0.374 4.09 4 61.2 30.6
194 1 5 3 35.248 70.495 0.375 4.09 4 54.4 24.1
195 4 6 -1 35.271 70.542 0.375 4.08 4 25.4 5.3
196 5 2 0 35.298 70.595 0.375 4.07 4 75.9 46.9
197 4 2 -3 35.539 71.078 0.377 4.02 4 96.6 74.8
198 4 6 0 35.631 71.261 0.378 4.0 4 5.5 0.2
199 5 3 -1 35.643 71.285 0.378 4.0 4 46.6 17.3
200 0 6 3 35.677 71.354 0.379 3.99 4 62.2 30.8
201 5 1 -2 35.785 71.569 0.38 3.97 4 12.0 1.1
202 3 5 2 35.838 71.677 0.38 3.95 4 88.4 61.6
203 3 7 1 35.864 71.728 0.38 3.95 4 104.8 86.5
204 3 7 -2 36.089 72.177 0.382 3.9 4 11.0 0.9
205 1 9 1 36.099 72.199 0.382 3.9 4 106.7 88.7
206 2 6 -3 36.158 72.317 0.383 3.89 4 48.9 18.5
207 3 5 -3 36.213 72.426 0.383 3.87 4 0.9 0.0
208 4 5 1 36.239 72.479 0.384 3.87 4 29.6 6.8
209 1 1 -4 36.389 72.777 0.385 3.84 4 9.7 0.7
210 4 0 2 36.419 72.838 0.385 3.83 2 139.9 74.8
211 5 3 0 36.432 72.863 0.385 3.83 4 106.1 86.0
212 5 2 -2 36.463 72.926 0.386 3.82 4 37.5 10.7
213 2 8 -2 36.506 73.013 0.386 3.82 4 46.8 16.7
214 2 7 2 36.566 73.131 0.387 3.8 4 76.2 44.1
215 3 8 0 36.592 73.183 0.387 3.8 4 32.5 8.0
216 2 9 0 36.599 73.199 0.387 3.8 4 88.3 59.1
217 4 1 2 36.644 73.288 0.387 3.79 4 125.9 119.9
218 3 8 -1 36.666 73.332 0.388 3.78 4 140.7 149.5
219 4 3 -3 36.67 73.34 0.388 3.78 4 74.7 42.2
220 2 0 -4 36.737 73.474 0.388 3.77 2 106.8 42.9
221 1 8 2 36.792 73.583 0.389 3.76 4 77.3 44.8
222 2 4 3 36.811 73.621 0.389 3.76 4 11.4 1.0
223 2 1 -4 36.961 73.922 0.39 3.73 4 138.5 142.8
224 1 2 -4 37.063 74.125 0.391 3.71 4 39.5 11.5
225 2 9 -1 37.102 74.203 0.392 3.7 4 20.9 3.2
226 0 0 4 37.116 74.232 0.392 3.7 2 81.4 24.5
227 5 4 -1 37.22 74.441 0.393 3.68 4 15.8 1.8
228 4 2 2 37.316 74.633 0.394 3.66 4 8.4 0.5
229 0 1 4 37.34 74.679 0.394 3.66 4 144.7 152.8
230 5 3 -2 37.583 75.166 0.396 3.61 4 43.1 13.4
231 2 2 -4 37.631 75.263 0.396 3.61 4 30.5 6.7
232 4 6 -2 37.645 75.29 0.396 3.6 4 29.5 6.3
233 1 6 3 37.726 75.452 0.397 3.59 4 60.4 26.1
234 0 10 0 37.813 75.626 0.398 3.58 2 85.5 26.1
235 5 0 1 37.907 75.813 0.399 3.56 2 86.0 26.3
236 5 4 0 37.997 75.993 0.4 3.54 4 74.8 39.6
237 0 2 4 38.007 76.015 0.4 3.54 4 16.6 1.9
238 1 7 -3 38.071 76.142 0.4 3.53 4 49.3 17.1
239 5 1 1 38.129 76.257 0.401 3.52 4 28.1 5.5
240 1 3 -4 38.176 76.352 0.401 3.52 4 95.0 63.3
241 4 7 -1 38.193 76.386 0.401 3.51 4 17.5 2.2
242 4 4 -3 38.232 76.463 0.402 3.51 4 66.2 30.7
243 3 0 3 38.301 76.603 0.402 3.5 2 62.2 13.5
244 3 6 2 38.302 76.604 0.402 3.5 4 105.2 77.3
245 4 3 2 38.428 76.855 0.403 3.48 4 29.1 5.9
246 3 1 3 38.523 77.045 0.404 3.46 4 95.1 62.5
247 4 7 0 38.542 77.084 0.404 3.46 4 115.1 91.5
248 1 10 0 38.565 77.13 0.405 3.45 4 165.7 189.3
249 0 7 3 38.587 77.174 0.405 3.45 4 22.6 3.5
250 3 6 -3 38.668 77.335 0.406 3.44 4 101.9 71.3
251 4 6 1 38.694 77.387 0.406 3.43 4 32.4 7.2
252 2 3 -4 38.739 77.479 0.406 3.43 4 28.1 5.4
253 5 2 1 38.792 77.584 0.407 3.42 4 110.1 82.7
254 2 9 1 38.797 77.593 0.407 3.42 4 4.6 0.1
255 2 5 3 38.812 77.624 0.407 3.42 4 99.9 68.1
256 1 9 -2 38.874 77.749 0.407 3.41 4 92.4 58.1
257 0 9 2 38.968 77.935 0.408 3.39 4 9.1 0.6
258 3 1 -4 39.033 78.067 0.409 3.38 4 38.5 10.0
259 2 7 -3 39.055 78.11 0.409 3.38 4 13.0 1.1
260 0 3 4 39.112 78.224 0.409 3.37 4 3.2 0.1
261 5 4 -2 39.132 78.264 0.41 3.37 4 143.0 137.7
262 0 10 1 39.151 78.303 0.41 3.37 4 2.4 0.0
263 3 2 3 39.184 78.368 0.41 3.36 4 71.6 34.5
264 3 8 1 39.209 78.418 0.41 3.36 4 101.9 69.6
265 5 5 -1 39.215 78.429 0.41 3.36 4 28.7 5.5
266 3 8 -2 39.427 78.854 0.412 3.33 4 4.4 0.1
267 1 10 -1 39.478 78.955 0.413 3.32 4 7.6 0.4
268 3 2 -4 39.692 79.384 0.415 3.29 4 36.0 8.5
269 1 4 -4 39.718 79.436 0.415 3.29 4 2.4 0.0
270 1 1 4 39.776 79.552 0.415 3.28 4 22.0 3.2
271 5 3 1 39.89 79.78 0.416 3.27 4 3.1 0.1
272 2 8 2 39.89 79.781 0.416 3.27 4 128.0 107.0
273 4 4 2 39.967 79.933 0.417 3.26 4 32.1 6.7
274 5 5 0 39.979 79.958 0.417 3.26 4 112.3 82.0
275 5 0 -3 40.17 80.339 0.419 3.23 2 62.2 12.5
276 4 5 -3 40.21 80.421 0.419 3.23 4 72.4 33.8
277 2 9 -2 40.27 80.54 0.42 3.22 4 81.0 42.2
278 2 4 -4 40.275 80.551 0.42 3.22 4 0.1 0.0
279 3 3 3 40.279 80.558 0.42 3.22 4 56.1 20.2
280 1 10 1 40.313 80.625 0.42 3.22 4 15.6 1.6
281 3 9 0 40.352 80.705 0.42 3.21 4 106.6 72.9
282 5 1 -3 40.388 80.776 0.421 3.21 4 109.1 76.3
283 3 9 -1 40.425 80.849 0.421 3.2 4 34.4 7.6
284 1 2 4 40.432 80.863 0.421 3.2 4 67.9 29.5
285 4 7 -2 40.507 81.013 0.422 3.19 4 47.9 14.6
286 1 9 2 40.547 81.093 0.422 3.19 4 39.5 9.9
287 1 7 3 40.586 81.172 0.422 3.18 4 145.7 134.9
288 0 4 4 40.644 81.288 0.423 3.18 4 11.8 0.9
289 3 3 -4 40.784 81.568 0.424 3.16 4 113.6 81.4
290 2 10 0 40.796 81.592 0.424 3.16 4 10.9 0.7
291 5 2 -3 41.041 82.083 0.426 3.13 4 12.2 0.9
292 5 5 -2 41.099 82.198 0.427 3.13 4 83.3 43.3
293 3 7 2 41.151 82.302 0.427 3.12 4 34.5 7.4
294 2 6 3 41.218 82.436 0.428 3.11 4 27.0 4.5
295 2 10 -1 41.283 82.565 0.428 3.11 4 91.2 51.6
296 1 8 -3 41.359 82.718 0.429 3.1 4 133.7 110.6
297 5 4 1 41.415 82.831 0.429 3.09 4 6.7 0.3
298 4 8 -1 41.478 82.957 0.43 3.09 4 24.5 3.7
299 3 7 -3 41.51 83.02 0.43 3.09 4 79.9 39.3
300 1 3 4 41.519 83.038 0.43 3.08 4 54.5 18.3
301 4 7 1 41.536 83.071 0.43 3.08 4 43.3 11.6
302 5 6 -1 41.615 83.23 0.431 3.07 4 90.3 50.1
303 1 5 -4 41.679 83.358 0.432 3.07 4 138.2 117.0
304 6 1 -1 41.705 83.41 0.432 3.07 4 67.4 27.8
305 3 4 3 41.801 83.603 0.433 3.06 4 38.4 9.0
306 4 8 0 41.82 83.641 0.433 3.06 4 39.7 9.6
307 0 8 3 41.864 83.729 0.433 3.05 4 12.4 0.9
308 4 5 2 41.925 83.85 0.434 3.05 4 66.2 26.7
309 5 3 -3 42.126 84.252 0.435 3.03 4 50.0 15.1
310 2 5 -4 42.231 84.461 0.436 3.02 4 83.4 41.9
311 3 4 -4 42.303 84.606 0.437 3.01 4 96.1 55.5
312 2 8 -3 42.324 84.648 0.437 3.01 4 51.1 15.7
313 4 0 -4 42.329 84.657 0.437 3.01 2 91.1 24.9
314 6 2 -1 42.355 84.71 0.437 3.01 4 57.9 20.1
315 5 6 0 42.37 84.739 0.437 3.01 4 12.1 0.9
316 4 1 -4 42.545 85.09 0.439 2.99 4 39.8 9.5
317 0 5 4 42.596 85.193 0.439 2.99 4 91.0 49.4
318 4 6 -3 42.599 85.197 0.439 2.99 4 36.8 8.1
319 6 0 0 42.656 85.312 0.44 2.98 2 116.5 40.4
320 6 1 0 42.872 85.744 0.442 2.96 4 78.0 36.0
321 3 9 1 42.908 85.815 0.442 2.96 4 41.5 10.2
322 2 10 1 42.935 85.87 0.442 2.96 4 68.1 27.4
323 6 0 -2 42.942 85.884 0.442 2.96 2 160.6 76.2
324 1 10 -2 43.011 86.022 0.443 2.95 4 104.3 64.1
325 1 4 4 43.034 86.067 0.443 2.95 4 115.1 78.0
326 0 10 2 43.102 86.205 0.444 2.95 4 47.0 13.0
327 3 9 -2 43.122 86.244 0.444 2.94 4 120.9 85.9
328 1 11 0 43.14 86.28 0.444 2.94 4 19.2 2.2
329 6 1 -2 43.158 86.315 0.444 2.94 4 0.5 0.0
330 4 2 -4 43.193 86.386 0.444 2.94 4 98.0 56.4
331 5 5 1 43.362 86.724 0.446 2.93 4 6.7 0.3
332 2 0 4 43.424 86.849 0.446 2.92 2 107.4 33.7
333 6 3 -1 43.435 86.869 0.446 2.92 4 146.4 125.0
334 5 6 -2 43.48 86.959 0.447 2.92 4 81.9 39.1
335 6 2 0 43.519 87.039 0.447 2.92 4 34.8 7.0
336 2 9 2 43.578 87.156 0.447 2.91 4 8.7 0.4
337 5 4 -3 43.638 87.275 0.448 2.91 4 10.7 0.7
338 2 1 4 43.64 87.28 0.448 2.91 4 21.1 2.6
339 0 11 1 43.714 87.428 0.449 2.9 4 98.5 56.2
340 3 5 3 43.746 87.492 0.449 2.9 4 63.1 23.0
341 4 8 -2 43.755 87.51 0.449 2.9 4 58.1 19.5
342 6 2 -2 43.805 87.609 0.449 2.9 4 35.5 7.3
343 1 8 3 43.834 87.667 0.45 2.89 4 67.4 26.3
344 2 7 3 44.028 88.057 0.451 2.88 4 26.8 4.1
345 1 11 -1 44.034 88.068 0.451 2.88 4 33.3 6.4
346 1 6 -4 44.055 88.11 0.451 2.88 4 0.1 0.0
347 5 1 2 44.16 88.321 0.452 2.87 4 32.3 6.0
348 3 5 -4 44.245 88.49 0.453 2.87 4 48.9 13.7
349 4 3 -4 44.271 88.541 0.453 2.87 4 39.9 9.1
350 2 2 4 44.287 88.573 0.453 2.87 4 92.7 49.1
351 4 6 2 44.3 88.599 0.453 2.87 4 57.0 18.6
352 2 10 -2 44.383 88.766 0.454 2.86 4 16.0 1.5
353 3 8 2 44.393 88.786 0.454 2.86 4 76.9 33.8
354 5 7 -1 44.423 88.845 0.454 2.86 4 102.2 59.6
355 3 10 0 44.465 88.929 0.455 2.86 4 41.5 9.8
356 3 10 -1 44.536 89.072 0.455 2.85 4 4.1 0.1
357 6 3 0 44.597 89.194 0.456 2.85 4 28.2 4.5
358 2 6 -4 44.604 89.208 0.456 2.85 4 39.3 8.8
359 1 10 2 44.656 89.313 0.456 2.85 4 121.5 83.9
360 3 8 -3 44.749 89.498 0.457 2.84 4 149.8 127.3
361 4 8 1 44.774 89.549 0.457 2.84 4 49.3 13.8
362 5 2 2 44.807 89.613 0.457 2.84 4 7.8 0.3
363 1 11 1 44.856 89.712 0.458 2.84 4 58.9 19.7
364 6 3 -2 44.882 89.764 0.458 2.83 4 16.7 1.6
365 4 1 3 44.925 89.851 0.458 2.83 4 29.6 5.0
366 6 4 -1 44.943 89.886 0.459 2.83 4 40.7 9.3
367 0 6 4 44.968 89.936 0.459 2.83 4 73.5 30.5
368 1 5 4 44.973 89.947 0.459 2.83 4 73.7 30.7
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 2 0 7.043 14.086 6.282 115.4 3.2 3.2 5.6
2 1 1 0 7.383 14.766 5.99436 58.6 1.6 1.6 5.6
3 0 1 1 9.372 18.744 4.7303 370.4 10.3 10.4 5.6
4 1 2 0 9.596 19.192 4.62077 501.7 14.0 14.1 5.6
5 1 0 -1 9.692 19.383 4.57558 297.2 8.3 8.3 5.6
6 1 1 -1 10.321 20.642 4.29935 1082.6 30.2 30.4 5.6
7 0 2 1 11.21 22.42 3.96226 369.9 10.3 10.4 5.6
8 1 0 1 11.923 23.846 3.72838 58.7 1.6 1.6 5.6
9 1 2 -1 12.021 24.042 3.69852 392.7 11.0 11.0 5.6
10 1 1 1 12.445 24.89 3.57432 1073.9 30.0 30.0 5.6
11 2 0 0 13.054 26.107 3.41036 451.1 12.6 12.6 5.6
12 2 1 0 13.535 27.07 3.29126 1253.2 35.0 35.0 5.6
13 0 3 1 13.761 27.523 3.23811 3583.6 100.0 100.0 5.6
14 0 4 0 14.196 28.391 3.141 123.2 3.4 3.4 5.6
15 1 3 -1 14.438 28.877 3.08931 211.3 5.9 5.9 5.6
16 2 1 -1 14.559 29.118 3.06428 656.2 18.3 18.3 5.6
17 2 2 0 14.892 29.784 2.99718 789.2 22.0 22.0 5.6
18 1 4 0 15.664 31.327 2.85302 1189.1 33.2 33.1 5.6
19 2 2 -1 15.836 31.672 2.82275 1740.2 48.6 48.4 5.6
20 1 3 1 16.058 32.116 2.78474 335.4 9.4 9.3 5.6
21 0 4 1 16.733 33.467 2.67533 40.7 1.1 1.1 5.7
22 0 0 2 17.561 35.121 2.553 846.9 23.6 23.5 5.7
23 2 1 1 17.644 35.289 2.54127 559.1 15.6 15.5 5.7
24 2 3 -1 17.781 35.562 2.52234 116.0 3.2 3.2 5.7
25 0 1 2 17.932 35.863 2.50187 546.9 15.3 15.2 5.7
26 1 4 1 18.703 37.406 2.40217 67.8 1.9 1.9 5.7
27 2 2 1 18.734 37.468 2.39835 154.5 4.3 4.3 5.7
28 1 2 -2 18.858 37.717 2.38307 49.8 1.4 1.4 5.7
29 0 2 2 19.007 38.013 2.36515 144.2 4.0 4.0 5.7
30 1 5 0 19.068 38.135 2.35788 310.4 8.7 8.6 5.7
31 2 0 -2 19.675 39.351 2.28779 158.5 4.4 4.4 5.7
32 3 0 -1 19.915 39.83 2.26136 324.1 9.0 8.9 5.7
33 0 5 1 19.978 39.955 2.25457 214.7 6.0 5.9 5.7
34 2 1 -2 20.013 40.025 2.25078 674.8 18.8 18.6 5.7
35 3 1 0 20.139 40.278 2.23724 164.7 4.6 4.5 5.7
36 2 4 -1 20.23 40.46 2.2276 511.1 14.3 14.1 5.7
37 2 3 1 20.439 40.877 2.20581 904.5 25.2 24.9 5.7
38 1 5 -1 20.471 40.941 2.20252 593.4 16.6 16.4 5.7
39 1 3 -2 20.555 41.109 2.1939 579.4 16.2 16.0 5.7
40 2 2 -2 20.997 41.995 2.14968 47.2 1.3 1.3 5.7
41 3 2 0 21.119 42.238 2.13786 192.4 5.4 5.3 5.7
42 3 2 -1 21.225 42.449 2.1277 272.5 7.6 7.5 5.7
43 1 2 2 21.402 42.805 2.11084 571.1 15.9 15.7 5.7
44 0 6 0 21.583 43.166 2.094 233.3 6.5 6.4 5.7
45 1 5 1 21.695 43.39 2.08373 203.7 5.7 5.6 5.7
46 2 5 0 22.381 44.762 2.02297 183.8 5.1 5.0 5.7
47 2 3 -2 22.56 45.12 2.00775 37.5 1.0 1.0 5.7
48 1 6 0 22.631 45.262 2.00179 439.7 12.3 12.1 5.7
49 3 3 0 22.675 45.35 1.99812 264.5 7.4 7.3 5.7
50 1 4 -2 22.753 45.506 1.99163 142.5 4.0 3.9 5.7
51 2 5 -1 23.058 46.116 1.9667 235.5 6.6 6.5 5.7
52 3 0 1 23.504 47.009 1.93141 197.3 5.5 5.4 5.7
53 3 1 1 23.797 47.595 1.90898 45.0 1.3 1.2 5.7
54 1 6 -1 23.862 47.725 1.90408 180.3 5.0 4.9 5.7
55 2 0 2 24.406 48.812 1.86419 173.6 4.8 4.7 5.7
56 2 4 -2 24.616 49.232 1.84926 52.6 1.5 1.4 5.7
57 3 2 1 24.661 49.321 1.84612 204.9 5.7 5.6 5.7
58 1 4 2 24.975 49.949 1.82436 297.4 8.3 8.1 5.7
59 2 5 1 25.259 50.518 1.80515 170.6 4.8 4.7 5.8
60 1 5 -2 25.358 50.715 1.7986 97.1 2.7 2.6 5.8
61 0 5 2 25.475 50.95 1.79086 74.3 2.1 2.0 5.8
62 2 2 2 25.532 51.063 1.78716 294.2 8.2 8.0 5.8
63 1 0 -3 26.282 52.564 1.73961 106.4 3.0 2.9 5.8
64 3 3 -2 26.322 52.644 1.73716 256.7 7.2 7.0 5.8
65 1 1 -3 26.552 53.104 1.72317 43.1 1.2 1.2 5.8
66 4 1 -1 26.7 53.4 1.71432 86.9 2.4 2.4 5.8
67 2 5 -2 27.086 54.173 1.69168 141.0 3.9 3.8 5.8
68 4 1 0 27.121 54.242 1.68969 280.4 7.8 7.6 5.8
69 3 5 0 27.187 54.374 1.68591 353.9 9.9 9.6 5.8
70 1 2 -3 27.352 54.704 1.67652 77.3 2.2 2.1 5.8
71 1 7 -1 27.451 54.903 1.6709 172.5 4.8 4.7 5.8
72 4 2 -1 27.497 54.994 1.66836 197.3 5.5 5.4 5.8
73 0 2 3 27.962 55.924 1.64278 154.3 4.3 4.2 5.8
74 1 6 -2 28.3 56.6 1.62477 56.0 1.6 1.5 5.8
75 0 6 2 28.409 56.818 1.61906 285.7 8.0 7.7 5.8
76 1 7 1 28.444 56.888 1.61722 428.0 11.9 11.6 5.8
77 2 2 -3 28.511 57.022 1.61373 392.9 11.0 10.6 5.8
78 2 4 2 28.718 57.435 1.60311 126.6 3.5 3.4 5.8
79 2 7 0 29.01 58.021 1.58832 51.1 1.4 1.4 5.8
80 0 3 3 29.243 58.487 1.57677 337.8 9.4 9.1 5.8
81 4 1 -2 29.433 58.866 1.56751 250.6 7.0 6.8 5.8
82 1 1 3 29.525 59.049 1.56308 125.8 3.5 3.4 5.8
83 3 6 -1 30.089 60.177 1.53644 254.1 7.1 6.8 5.8
84 1 8 0 30.219 60.437 1.53045 273.5 7.6 7.4 5.8
85 3 5 -2 30.445 60.89 1.52016 279.6 7.8 7.5 5.8
86 4 4 -1 30.544 61.089 1.51569 171.3 4.8 4.6 5.8
87 3 1 -3 30.58 61.161 1.51408 58.0 1.6 1.6 5.8
88 0 4 3 30.98 61.961 1.49643 67.8 1.9 1.8 5.8
89 1 8 -1 31.235 62.471 1.48544 140.9 3.9 3.8 5.8
90 4 2 1 31.341 62.682 1.48093 191.3 5.3 5.1 5.8
91 2 7 1 31.454 62.909 1.47615 42.7 1.2 1.1 5.9
92 2 4 -3 31.496 62.993 1.47438 179.1 5.0 4.8 5.9
93 3 3 2 32.118 64.237 1.44879 62.6 1.7 1.7 5.9
94 4 3 1 32.541 65.081 1.43202 51.8 1.4 1.4 5.9
95 2 8 0 32.682 65.364 1.42651 156.3 4.4 4.2 5.9
96 3 6 1 32.858 65.716 1.41972 97.1 2.7 2.6 5.9
97 2 7 -2 33.057 66.114 1.41214 253.9 7.1 6.8 5.9
98 4 5 0 33.088 66.175 1.41098 137.7 3.8 3.7 5.9
99 2 1 3 33.375 66.75 1.40022 106.3 3.0 2.8 5.9
100 5 0 -1 33.569 67.138 1.39306 74.2 2.1 2.0 5.9
101 3 4 2 33.77 67.54 1.38574 107.3 3.0 2.9 5.9
102 5 1 -1 33.802 67.605 1.38457 51.7 1.4 1.4 5.9
103 4 4 1 34.182 68.364 1.37104 133.0 3.7 3.5 5.9
104 1 9 0 34.278 68.557 1.36765 36.4 1.0 1.0 5.9
105 4 1 -3 34.853 69.706 1.34788 53.8 1.5 1.4 5.9
106 0 9 1 34.892 69.783 1.34658 59.7 1.7 1.6 5.9
107 1 6 -3 35.145 70.291 1.3381 246.6 6.9 6.5 5.9
108 2 3 3 35.226 70.451 1.33544 166.7 4.7 4.4 5.9
109 5 2 0 35.298 70.595 1.33307 52.1 1.5 1.4 5.9
110 4 2 -3 35.539 71.078 1.3252 74.8 2.1 2.0 5.9
111 3 7 1 35.864 71.728 1.31478 148.1 4.1 3.9 5.9
112 1 9 1 36.099 72.199 1.30736 88.7 2.5 2.3 5.9
113 5 3 0 36.432 72.863 1.29707 160.9 4.5 4.2 6.0
114 2 7 2 36.566 73.131 1.29297 52.1 1.5 1.4 6.0
115 2 9 0 36.599 73.199 1.29195 59.1 1.7 1.6 6.0
116 3 8 -1 36.666 73.332 1.28993 311.6 8.7 8.2 6.0
117 2 0 -4 36.737 73.474 1.28779 42.9 1.2 1.1 6.0
118 1 8 2 36.792 73.583 1.28615 45.8 1.3 1.2 6.0
119 2 1 -4 36.961 73.922 1.28108 142.8 4.0 3.8 6.0
120 0 1 4 37.34 74.679 1.26996 152.8 4.3 4.0 6.0
121 5 4 0 37.997 75.993 1.25123 41.5 1.2 1.1 6.0
122 1 3 -4 38.176 76.352 1.24624 65.4 1.8 1.7 6.0
123 3 6 2 38.302 76.604 1.24278 90.8 2.5 2.4 6.0
124 1 10 0 38.565 77.13 1.23561 346.8 9.7 9.1 6.0
125 3 6 -3 38.668 77.335 1.23284 78.4 2.2 2.0 6.0
126 5 2 1 38.792 77.584 1.22951 150.9 4.2 3.9 6.0
127 1 9 -2 38.874 77.749 1.22731 58.1 1.6 1.5 6.0
128 5 4 -2 39.132 78.264 1.22052 137.7 3.8 3.6 6.0
129 3 8 1 39.209 78.418 1.21851 109.6 3.1 2.9 6.0
130 2 8 2 39.89 79.781 1.20108 107.0 3.0 2.8 6.0
131 5 5 0 39.979 79.958 1.19887 88.7 2.5 2.3 6.0
132 2 9 -2 40.27 80.54 1.19167 62.5 1.7 1.6 6.1
133 3 9 0 40.352 80.705 1.18964 72.9 2.0 1.9 6.1
134 5 1 -3 40.388 80.776 1.18878 76.3 2.1 2.0 6.1
135 1 2 4 40.432 80.863 1.18772 37.1 1.0 1.0 6.1
136 1 7 3 40.586 81.172 1.18397 134.9 3.8 3.5 6.1
137 3 3 -4 40.784 81.568 1.17922 82.2 2.3 2.1 6.1
138 5 5 -2 41.099 82.198 1.17177 43.3 1.2 1.1 6.1
139 2 10 -1 41.283 82.565 1.16749 51.6 1.4 1.3 6.1
140 1 8 -3 41.359 82.718 1.16573 110.6 3.1 2.9 6.1
141 3 7 -3 41.51 83.02 1.16224 69.2 1.9 1.8 6.1
142 5 6 -1 41.615 83.23 1.15985 50.1 1.4 1.3 6.1
143 1 5 -4 41.679 83.358 1.15839 144.8 4.0 3.7 6.1
144 2 5 -4 42.231 84.461 1.14605 41.9 1.2 1.1 6.1
145 3 4 -4 42.303 84.606 1.14446 96.2 2.7 2.5 6.1
146 0 5 4 42.596 85.193 1.13807 57.5 1.6 1.5 6.1
147 6 0 0 42.656 85.312 1.13679 40.4 1.1 1.0 6.1
148 6 1 0 42.872 85.744 1.13216 36.0 1.0 0.9 6.1
149 6 0 -2 42.942 85.884 1.13068 113.8 3.2 2.9 6.1
150 1 4 4 43.034 86.067 1.12873 142.1 4.0 3.6 6.1
151 3 9 -2 43.122 86.244 1.12688 101.1 2.8 2.6 6.1
152 4 2 -4 43.193 86.386 1.12539 56.4 1.6 1.4 6.1
153 6 3 -1 43.435 86.869 1.12036 158.7 4.4 4.1 6.1
154 5 6 -2 43.48 86.959 1.11944 39.1 1.1 1.0 6.1
155 0 11 1 43.714 87.428 1.11463 56.2 1.6 1.4 6.2
156 3 5 3 43.746 87.492 1.11399 42.6 1.2 1.1 6.2
157 2 2 4 44.287 88.573 1.10316 67.7 1.9 1.7 6.2
158 5 7 -1 44.423 88.845 1.10049 94.9 2.6 2.4 6.2
159 1 10 2 44.656 89.313 1.09593 83.9 2.3 2.1 6.2
160 3 8 -3 44.749 89.498 1.09414 141.1 3.9 3.6 6.2
161 1 5 4 44.973 89.947 1.08985 75.6 2.1 1.9 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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