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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OJUELAITE
1
ZnFe'''(2)[AsO(4)](2)(OH)(2).4H(2)O
Monoclinic P 2(1)/c Z = 2
R =0.024 NR =1027
29 .6 .1999
Ref.Str.:
Hughes J. M., Bloodaxe E.S., Kobel K.D., Drexler J.W. (1996)
* Mineral. Mag., 60, 519-521
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.237 alpha = 90.0
b = 9.662 beta = 94.36
c = 5.562 gamma = 90.0
Unit cell volume (cub. angs.) = 548.54
Molar volume ( cub.cm/mol.) = 165.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.72 Zn = 1.00
2 0.4555 0.1364 0.3394 0.34 Fe = 1.00
3 0.2968 0.4287 0.3268 0.34 As = 1.00
4 0.3988 0.486 0.1167 0.59 O = 1.00
5 0.3561 0.49 0.5989 0.63 O = 1.00
6 0.1483 0.4926 0.2596 0.87 O = 1.00
7 0.2962 0.2545 0.3186 0.66 O = 1.00
8 0.5414 0.2323 0.0782 0.61 OH = 1.00
9 0.1299 0.9063 0.2916 1.34 H(2)O = 1.00
10 0.0456 0.193 0.1277 1.46 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.4555 0.1364 0.3394
3 3 0.2968 0.4287 0.3268
4 4 0.3988 0.486 0.1167
5 5 0.3561 0.49 0.5989
6 6 0.1483 0.4926 0.2596
7 7 0.2962 0.2545 0.3186
8 8 0.5414 0.2323 0.0782
9 9 0.1299 0.9063 0.2916
10 10 0.0456 0.193 0.1277
11 1 0.0 0.5 0.5
12 2 0.5445 0.6364 0.1606
13 3 0.7032 0.9287 0.1732
14 4 0.6012 0.986 0.3833
15 5 0.6439 0.99 0.9011
16 6 0.8517 0.9926 0.2404
17 7 0.7038 0.7545 0.1814
18 8 0.4586 0.7323 0.4218
19 9 0.8701 0.4063 0.2084
20 10 0.9544 0.693 0.3723
21 2 0.4555 0.3636 0.8394
22 3 0.2968 0.0713 0.8268
23 4 0.3988 0.014 0.6167
24 5 0.3561 0.01 0.0989
25 6 0.1483 0.0074 0.7596
26 7 0.2962 0.2455 0.8186
27 8 0.5414 0.2677 0.5782
28 9 0.1299 0.5937 0.7916
29 10 0.0456 0.307 0.6277
30 2 0.5445 0.8636 0.6606
31 3 0.7032 0.5713 0.6732
32 4 0.6012 0.514 0.8833
33 5 0.6439 0.51 0.4011
34 6 0.8517 0.5074 0.7404
35 7 0.7038 0.7455 0.6814
36 8 0.4586 0.7677 0.9218
37 9 0.8701 0.0937 0.7084
38 10 0.9544 0.807 0.8723
X-ray density (g/cm cub.) = 3.4
MU (1/cm) = 324.001 Mass attenuation coefficient (cm**2/g) = 95.427
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn 2.796 6
2.2115 9
2.037 10
2.0991 6
2.0991 6
2.2115 9
2.037 10
2 Fe 2.76 6
1.9869 7
1.9839 8
2.0831 4
2.0617 4
2.0273 5
1.9922 8
3 As 2.628 4
1.7171 4
1.6943 5
1.6571 6
1.6834 7
4 O 3.432 11
2.7503 5
2.8802 5
2.7426 6
2.7471 7
2.8693 8
2.9597 8
2.9978 7
3.3426 9
2.5417 4
2.8719 5
3.0098 8
5 O 3.432 11
2.8802 4
2.7503 4
2.7344 6
2.7998 7
2.7765 8
2.7503 7
2.8737 8
2.8093 9
2.8719 4
3.2281 5
3.3525 8
6 O 3.432 9
2.7426 4
2.7344 5
2.7599 7
3.1473 10
2.9604 9
2.876 10
3.1353 9
2.7732 9
2.9732 10
7 O 3.432 11
2.7471 4
2.7998 5
2.7599 6
2.9402 8
2.7654 10
2.9978 4
2.7503 5
2.7824 7
2.7824 7
2.8019 8
3.2349 10
8 OH 3.48 10
2.8693 4
2.9402 7
2.9597 4
2.7765 5
2.8737 5
2.8019 7
2.802 8
2.802 8
3.0098 4
3.3525 5
9 H(2)O 3.6 8
3.0215 10
2.9604 6
2.7927 10
3.3426 4
2.8093 5
2.7732 6
3.1353 6
2.9917 10
10 H(2)O 3.6 10
3.1473 6
2.7654 7
3.0215 9
2.876 6
2.7927 9
2.9732 6
3.2349 7
2.9912 10
2.9912 10
2.9917 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 1 0 0 4.328 8.656 0.049 348.22 2 87.5 1772.9
2 1 1 0 6.302 12.605 0.071 163.0 4 91.7 1822.9
3 2 0 0 8.681 17.361 0.098 84.86 2 47.7 128.2
4 0 2 0 9.175 18.349 0.103 75.74 2 130.4 856.4
5 0 1 1 9.215 18.431 0.104 75.05 4 77.4 598.4
6 2 1 0 9.828 19.656 0.111 65.73 4 68.9 414.9
7 1 1 -1 9.932 19.864 0.112 64.32 4 8.0 5.5
8 1 2 0 10.16 20.32 0.115 61.36 4 41.2 138.7
9 1 1 1 10.456 20.912 0.118 57.82 4 147.1 1663.4
10 0 2 1 12.208 24.415 0.137 41.85 4 19.4 20.9
11 2 1 -1 12.28 24.56 0.138 41.34 4 8.9 4.3
12 2 2 0 12.683 25.365 0.143 38.63 4 41.5 88.6
13 1 2 -1 12.764 25.529 0.143 38.11 4 84.8 364.1
14 3 0 0 13.085 26.169 0.147 36.17 2 83.6 167.9
15 2 1 1 13.131 26.263 0.147 35.9 4 43.6 90.8
16 1 2 1 13.182 26.363 0.148 35.61 4 18.2 15.6
17 3 1 0 13.887 27.775 0.156 31.88 4 5.9 1.5
18 1 3 0 14.524 29.049 0.163 28.98 4 82.8 264.3
19 2 2 -1 14.69 29.379 0.165 28.28 4 115.6 502.5
20 2 2 1 15.418 30.836 0.173 25.5 4 144.5 707.8
21 3 1 -1 15.578 31.156 0.174 24.94 4 198.5 1306.1
22 0 3 1 16.056 32.111 0.18 23.36 4 74.1 170.6
23 3 2 0 16.075 32.151 0.18 23.3 4 90.1 251.7
24 0 0 2 16.128 32.256 0.18 23.14 2 82.6 104.9
25 1 0 -2 16.395 32.79 0.183 22.33 2 43.0 27.4
26 2 3 0 16.428 32.856 0.184 22.23 4 110.8 362.8
27 1 3 -1 16.492 32.985 0.184 22.05 4 49.7 72.5
28 3 1 1 16.606 33.213 0.186 21.72 4 30.1 26.1
29 0 1 2 16.798 33.596 0.188 21.18 4 56.4 89.6
30 1 3 1 16.825 33.65 0.188 21.11 4 61.5 106.1
31 1 1 -2 17.056 34.112 0.19 20.49 4 109.6 327.3
32 1 0 2 17.058 34.115 0.19 20.49 2 145.0 286.4
33 4 0 0 17.569 35.138 0.196 19.21 2 66.5 56.5
34 3 2 -1 17.576 35.152 0.196 19.19 4 27.1 18.8
35 1 1 2 17.697 35.393 0.197 18.91 4 27.2 18.6
36 2 0 -2 17.812 35.623 0.199 18.64 2 149.1 275.5
37 2 3 -1 18.058 36.115 0.201 18.09 4 44.5 47.7
38 4 1 0 18.192 36.384 0.203 17.8 4 46.5 51.2
39 2 1 -2 18.428 36.855 0.205 17.3 4 15.9 5.8
40 3 2 1 18.506 37.012 0.206 17.14 4 119.4 324.6
41 0 4 0 18.596 37.192 0.207 16.96 2 42.4 20.3
42 2 3 1 18.668 37.337 0.208 16.81 4 32.2 23.2
43 0 2 2 18.681 37.361 0.208 16.79 4 3.1 0.2
44 1 2 -2 18.916 37.832 0.21 16.33 4 26.9 15.7
45 2 0 2 19.03 38.06 0.212 16.12 2 34.3 12.6
46 1 4 0 19.129 38.258 0.213 15.93 4 68.2 98.6
47 3 3 0 19.228 38.455 0.214 15.75 4 15.7 5.2
48 4 1 -1 19.405 38.81 0.216 15.44 4 28.1 16.2
49 1 2 2 19.504 39.008 0.217 15.26 4 40.1 32.6
50 2 1 2 19.613 39.226 0.218 15.08 4 77.5 120.5
51 4 2 0 19.961 39.921 0.222 14.5 4 23.1 10.3
52 3 0 -2 20.167 40.333 0.224 14.17 2 75.9 54.3
53 2 2 -2 20.179 40.358 0.224 14.15 4 12.8 3.1
54 0 4 1 20.354 40.709 0.226 13.88 4 134.1 332.0
55 3 3 -1 20.528 41.056 0.228 13.62 4 18.0 5.9
56 4 1 1 20.543 41.086 0.228 13.6 4 128.6 299.1
57 2 4 0 20.659 41.318 0.229 13.43 4 0.9 0.0
58 1 4 -1 20.712 41.424 0.23 13.35 4 23.3 9.6
59 3 1 -2 20.723 41.446 0.23 13.34 4 11.8 2.5
60 1 4 1 20.987 41.973 0.232 12.97 4 64.8 72.5
61 4 2 -1 21.088 42.175 0.234 12.83 4 54.1 49.9
62 2 2 2 21.282 42.564 0.236 12.57 4 102.0 173.8
63 3 3 1 21.349 42.697 0.236 12.48 4 80.4 107.2
64 0 3 2 21.504 43.007 0.238 12.28 4 100.8 165.7
65 1 3 -2 21.713 43.427 0.24 12.01 4 84.5 114.1
66 3 0 2 21.805 43.611 0.241 11.9 2 5.1 0.2
67 2 4 -1 22.02 44.04 0.243 11.64 4 70.8 77.5
68 4 2 1 22.154 44.308 0.245 11.48 4 99.0 149.6
69 5 0 0 22.167 44.335 0.245 11.47 2 73.9 41.7
70 1 3 2 22.24 44.479 0.246 11.38 4 26.7 10.8
71 3 2 -2 22.324 44.647 0.247 11.29 4 107.0 171.7
72 3 1 2 22.328 44.656 0.247 11.28 4 4.0 0.2
73 2 4 1 22.541 45.081 0.249 11.04 4 2.7 0.1
74 4 3 0 22.651 45.302 0.25 10.92 4 9.2 1.2
75 5 1 0 22.684 45.368 0.25 10.88 4 61.0 53.8
76 2 3 -2 22.848 45.696 0.252 10.71 4 34.4 16.9
77 3 4 0 23.022 46.043 0.254 10.53 4 85.7 102.7
78 4 0 -2 23.227 46.454 0.256 10.32 2 31.6 6.9
79 5 1 -1 23.582 47.163 0.26 9.97 4 26.0 8.9
80 4 3 -1 23.674 47.349 0.261 9.88 4 80.9 86.0
81 4 1 -2 23.725 47.45 0.261 9.83 4 26.1 8.9
82 3 2 2 23.843 47.686 0.262 9.72 4 5.9 0.4
83 2 3 2 23.852 47.704 0.262 9.71 4 38.1 18.7
84 1 5 0 23.935 47.869 0.263 9.64 4 72.3 67.0
85 3 4 -1 24.155 48.311 0.266 9.44 4 17.5 3.8
86 5 2 0 24.181 48.362 0.266 9.42 4 21.2 5.6
87 4 3 1 24.652 49.305 0.271 9.01 4 8.6 0.9
88 5 1 1 24.803 49.606 0.272 8.89 4 31.1 11.4
89 3 3 -2 24.809 49.617 0.272 8.88 4 48.9 28.3
90 3 4 1 24.881 49.762 0.273 8.83 4 62.0 45.1
91 0 5 1 24.968 49.937 0.274 8.76 4 53.5 33.4
92 0 4 2 25.019 50.037 0.275 8.72 4 73.6 62.8
93 5 2 -1 25.038 50.076 0.275 8.7 4 90.4 94.6
94 0 1 3 25.102 50.204 0.275 8.65 4 8.1 0.8
95 1 1 -3 25.17 50.34 0.276 8.6 4 38.4 16.8
96 4 2 -2 25.175 50.35 0.276 8.59 4 20.5 4.8
97 4 0 2 25.181 50.361 0.276 8.59 2 27.8 4.4
98 1 4 -2 25.206 50.411 0.276 8.57 4 36.1 14.9
99 2 5 0 25.228 50.457 0.277 8.55 4 22.7 5.9
100 1 5 -1 25.274 50.548 0.277 8.52 4 55.5 34.9
101 1 5 1 25.51 51.019 0.28 8.34 4 21.0 4.9
102 4 1 2 25.65 51.301 0.281 8.23 4 33.3 12.1
103 1 4 2 25.676 51.353 0.281 8.22 4 43.0 20.2
104 1 1 3 25.875 51.749 0.283 8.07 4 5.8 0.4
105 4 4 0 26.046 52.093 0.285 7.95 4 11.1 1.3
106 2 1 -3 26.074 52.148 0.285 7.93 4 135.9 194.8
107 5 2 1 26.209 52.418 0.287 7.84 4 28.1 8.2
108 3 3 2 26.218 52.436 0.287 7.83 4 6.8 0.5
109 2 4 -2 26.224 52.448 0.287 7.83 4 20.1 4.2
110 2 5 -1 26.405 52.811 0.289 7.71 4 42.4 18.5
111 0 2 3 26.496 52.993 0.29 7.65 4 36.9 13.8
112 5 3 0 26.534 53.068 0.29 7.62 4 53.9 29.5
113 1 2 -3 26.562 53.124 0.29 7.6 4 58.8 35.0
114 5 0 -2 26.822 53.643 0.293 7.44 2 39.6 7.7
115 2 5 1 26.861 53.722 0.293 7.41 4 110.0 119.2
116 6 0 0 26.922 53.844 0.294 7.38 2 59.7 17.5
117 4 4 -1 26.973 53.945 0.294 7.34 4 41.9 17.1
118 4 2 2 27.024 54.049 0.295 7.31 4 96.4 90.4
119 2 4 2 27.134 54.269 0.296 7.24 4 115.4 128.2
120 1 2 3 27.241 54.481 0.297 7.18 4 54.1 27.9
121 5 1 -2 27.271 54.542 0.297 7.16 4 83.9 67.0
122 3 5 0 27.285 54.57 0.298 7.15 4 97.7 90.8
123 5 3 -1 27.337 54.675 0.298 7.12 4 28.5 7.7
124 6 1 0 27.371 54.741 0.298 7.1 4 58.9 32.7
125 2 2 -3 27.433 54.866 0.299 7.07 4 14.6 2.0
126 2 1 3 27.437 54.874 0.299 7.06 4 135.4 172.2
127 4 3 -2 27.466 54.933 0.299 7.05 4 27.9 7.3
128 3 1 -3 27.756 55.512 0.302 6.88 4 64.0 37.4
129 4 4 1 27.866 55.733 0.303 6.82 4 10.8 1.1
130 3 4 -2 28.01 56.02 0.305 6.74 4 77.6 54.0
131 6 1 -1 28.048 56.095 0.305 6.72 4 96.8 83.7
132 3 5 -1 28.293 56.586 0.308 6.59 4 44.0 16.9
133 5 3 1 28.442 56.883 0.309 6.51 4 54.6 25.8
134 0 6 0 28.577 57.154 0.31 6.44 2 5.7 0.1
135 5 2 -2 28.591 57.182 0.311 6.43 4 57.8 28.5
136 6 2 0 28.688 57.375 0.312 6.38 4 55.0 25.7
137 0 3 3 28.714 57.428 0.312 6.37 4 23.5 4.7
138 2 2 3 28.752 57.504 0.312 6.35 4 3.8 0.1
139 1 3 -3 28.776 57.552 0.312 6.34 4 105.5 93.9
140 3 5 1 28.944 57.889 0.314 6.26 4 69.7 40.4
141 1 6 0 28.963 57.927 0.314 6.25 4 35.9 10.7
142 5 0 2 29.029 58.058 0.315 6.22 2 169.1 118.1
143 3 2 -3 29.061 58.123 0.315 6.2 4 78.0 50.1
144 0 5 2 29.069 58.137 0.315 6.2 4 3.2 0.1
145 4 3 2 29.215 58.43 0.317 6.13 4 81.4 54.0
146 1 5 -2 29.237 58.475 0.317 6.12 4 8.7 0.6
147 3 4 2 29.312 58.623 0.318 6.08 4 25.0 5.0
148 6 2 -1 29.345 58.689 0.318 6.07 4 25.1 5.1
149 6 1 1 29.348 58.697 0.318 6.07 4 24.0 4.7
150 1 3 3 29.421 58.841 0.319 6.03 4 72.3 41.9
151 5 1 2 29.456 58.912 0.319 6.02 4 9.5 0.7
152 2 3 -3 29.604 59.208 0.321 5.95 4 26.3 5.5
153 5 4 0 29.605 59.211 0.321 5.95 4 65.5 33.9
154 1 5 2 29.664 59.328 0.321 5.92 4 85.6 57.7
155 3 1 3 29.706 59.412 0.322 5.9 4 47.6 17.8
156 0 6 1 29.874 59.748 0.323 5.83 4 66.6 34.4
157 4 5 0 30.0 60.001 0.325 5.77 4 123.7 117.4
158 2 6 0 30.105 60.209 0.326 5.73 4 120.0 109.7
159 4 1 -3 30.13 60.26 0.326 5.72 4 26.8 5.5
160 1 6 -1 30.145 60.29 0.326 5.71 4 34.8 9.2
161 2 5 -2 30.163 60.325 0.326 5.7 4 85.7 55.6
162 5 4 -1 30.355 60.709 0.328 5.62 4 68.6 35.1
163 1 6 1 30.355 60.71 0.328 5.62 4 82.2 50.5
164 4 4 -2 30.475 60.951 0.329 5.57 4 14.9 1.6
165 6 2 1 30.611 61.221 0.331 5.52 4 11.5 1.0
166 5 3 -2 30.709 61.418 0.331 5.48 4 77.6 43.8
167 5 2 2 30.715 61.431 0.332 5.48 4 63.7 29.6
168 6 3 0 30.801 61.603 0.332 5.44 4 96.9 67.9
169 4 5 -1 30.848 61.696 0.333 5.43 4 116.3 97.6
170 6 0 -2 30.856 61.712 0.333 5.42 2 190.7 131.1
171 2 3 3 30.863 61.727 0.333 5.42 4 10.1 0.7
172 3 2 3 30.959 61.918 0.334 5.38 4 68.3 33.4
173 2 5 2 30.996 61.993 0.334 5.37 4 111.0 87.9
174 2 6 -1 31.157 62.314 0.336 5.31 4 15.5 1.7
175 3 3 -3 31.16 62.319 0.336 5.31 4 53.0 19.8
176 6 1 -2 31.268 62.536 0.337 5.27 4 52.7 19.4
177 4 2 -3 31.373 62.746 0.338 5.23 4 112.4 87.7
178 5 4 1 31.391 62.783 0.338 5.22 4 74.6 38.7
179 6 3 -1 31.431 62.863 0.338 5.21 4 103.4 74.0
180 2 6 1 31.568 63.136 0.34 5.16 4 16.9 2.0
181 0 4 3 31.648 63.296 0.341 5.13 4 1.3 0.0
182 4 5 1 31.671 63.343 0.341 5.12 4 52.6 18.8
183 1 4 -3 31.707 63.413 0.341 5.11 4 80.8 44.3
184 3 5 -2 31.804 63.608 0.342 5.07 4 121.9 100.2
185 7 0 0 31.887 63.773 0.343 5.04 2 145.9 71.4
186 3 6 0 31.952 63.903 0.344 5.02 4 23.4 3.7
187 4 4 2 32.121 64.243 0.345 4.97 4 74.1 36.3
188 7 1 0 32.291 64.583 0.347 4.91 4 60.2 23.6
189 1 4 3 32.316 64.632 0.347 4.9 4 72.8 34.5
190 6 2 -2 32.486 64.972 0.349 4.85 4 42.4 11.6
191 2 4 -3 32.49 64.979 0.349 4.84 4 68.8 30.5
192 4 1 3 32.596 65.192 0.35 4.81 4 2.5 0.0
193 6 3 1 32.65 65.299 0.35 4.79 4 7.0 0.3
194 5 3 2 32.751 65.502 0.351 4.76 4 42.6 11.5
195 7 1 -1 32.805 65.61 0.352 4.74 4 39.4 9.8
196 3 6 -1 32.87 65.741 0.352 4.72 4 0.7 0.0
197 3 3 3 32.986 65.973 0.353 4.69 4 63.7 25.3
198 3 5 2 33.015 66.03 0.354 4.68 4 38.7 9.3
199 5 1 -3 33.113 66.226 0.355 4.65 4 84.6 44.2
200 5 5 0 33.29 66.579 0.356 4.6 4 58.6 21.0
201 6 0 2 33.292 66.584 0.356 4.6 2 151.0 69.7
202 4 3 -3 33.386 66.773 0.357 4.57 4 10.0 0.6
203 3 6 1 33.469 66.937 0.358 4.55 4 11.3 0.8
204 7 2 0 33.489 66.979 0.358 4.54 4 66.2 26.4
205 5 4 -2 33.541 67.081 0.359 4.53 4 47.0 13.3
206 0 6 2 33.583 67.166 0.359 4.51 4 65.6 25.8
207 6 4 0 33.628 67.257 0.359 4.5 4 41.8 10.5
208 2 4 3 33.687 67.375 0.36 4.48 4 22.1 2.9
209 6 1 2 33.688 67.375 0.36 4.48 4 41.3 10.1
210 1 0 -4 33.708 67.415 0.36 4.48 2 198.1 116.9
211 1 6 -2 33.739 67.477 0.361 4.47 4 107.2 68.3
212 0 0 4 33.75 67.5 0.361 4.47 2 51.7 7.9
213 4 2 3 33.788 67.577 0.361 4.46 4 105.9 66.5
214 3 4 -3 33.97 67.941 0.363 4.41 4 37.8 8.4
215 5 5 -1 33.993 67.986 0.363 4.4 4 45.6 12.2
216 7 2 -1 33.994 67.988 0.363 4.4 4 32.9 6.3
217 1 1 -4 34.101 68.202 0.364 4.37 4 33.7 6.6
218 4 5 -2 34.107 68.213 0.364 4.37 4 41.9 10.2
219 1 6 2 34.133 68.266 0.364 4.36 4 50.9 15.0
220 0 1 4 34.143 68.286 0.364 4.36 4 80.1 37.2
221 7 1 1 34.194 68.388 0.365 4.35 4 36.2 7.6
222 6 4 -1 34.23 68.46 0.365 4.34 4 45.8 12.1
223 1 7 0 34.273 68.546 0.366 4.33 4 7.8 0.3
224 5 2 -3 34.296 68.593 0.366 4.32 4 60.1 20.7
225 2 0 -4 34.369 68.738 0.366 4.3 2 51.4 7.5
226 4 6 0 34.445 68.89 0.367 4.28 4 11.5 0.8
227 6 3 -2 34.465 68.93 0.367 4.28 4 38.3 8.3
228 1 0 4 34.494 68.989 0.368 4.27 2 13.1 0.5
229 2 6 -2 34.595 69.191 0.369 4.24 4 61.7 21.5
230 2 1 -4 34.759 69.518 0.37 4.2 4 11.5 0.7
231 6 2 2 34.861 69.723 0.371 4.18 4 5.0 0.1
232 1 1 4 34.883 69.767 0.371 4.17 4 81.1 36.5
233 5 5 1 34.971 69.942 0.372 4.15 4 36.2 7.2
234 0 7 1 35.105 70.211 0.373 4.12 4 39.9 8.7
235 0 5 3 35.214 70.429 0.374 4.09 4 39.5 8.5
236 4 6 -1 35.234 70.468 0.374 4.09 4 32.8 5.9
237 1 2 -4 35.268 70.537 0.375 4.08 4 100.2 54.5
238 1 5 -3 35.27 70.54 0.375 4.08 4 32.5 5.7
239 7 0 -2 35.298 70.597 0.375 4.07 2 127.5 44.0
240 0 2 4 35.31 70.619 0.375 4.07 4 24.9 3.4
241 2 7 0 35.318 70.635 0.375 4.07 4 15.2 1.3
242 1 7 -1 35.355 70.709 0.376 4.06 4 134.4 97.6
243 7 2 1 35.36 70.72 0.376 4.06 4 52.0 14.6
244 2 6 2 35.373 70.746 0.376 4.06 4 23.9 3.1
245 6 4 1 35.399 70.798 0.376 4.05 4 63.4 21.6
246 7 3 0 35.441 70.882 0.376 4.04 4 63.7 21.8
247 5 4 2 35.496 70.993 0.377 4.03 4 2.1 0.0
248 1 7 1 35.548 71.096 0.377 4.02 4 6.1 0.2
249 4 5 2 35.664 71.327 0.378 3.99 4 57.3 17.4
250 7 1 -2 35.684 71.367 0.379 3.99 4 6.9 0.3
251 3 0 -4 35.716 71.432 0.379 3.98 2 19.0 1.0
252 3 4 3 35.723 71.446 0.379 3.98 4 40.6 8.7
253 4 3 3 35.732 71.465 0.379 3.98 4 7.4 0.3
254 1 5 3 35.849 71.698 0.38 3.95 4 7.7 0.3
255 2 2 -4 35.917 71.833 0.381 3.94 4 28.7 4.3
256 2 0 4 35.921 71.842 0.381 3.94 2 66.2 11.5
257 7 3 -1 35.933 71.866 0.381 3.93 4 2.1 0.0
258 4 6 1 36.006 72.011 0.382 3.92 4 16.9 1.5
259 2 5 -3 36.014 72.028 0.382 3.92 4 0.1 0.0
260 1 2 4 36.039 72.079 0.382 3.91 4 12.4 0.8
261 5 1 3 36.045 72.091 0.382 3.91 4 102.7 54.9
262 3 1 -4 36.099 72.198 0.382 3.9 4 24.6 3.1
263 4 4 -3 36.109 72.218 0.383 3.9 4 36.3 6.8
264 3 6 -2 36.13 72.261 0.383 3.89 4 53.0 14.6
265 5 3 -3 36.228 72.456 0.384 3.87 4 30.4 4.8
266 2 7 -1 36.29 72.58 0.384 3.86 4 56.3 16.3
267 2 1 4 36.303 72.607 0.384 3.86 4 11.3 0.6
268 6 1 -3 36.649 73.297 0.387 3.79 4 0.9 0.0
269 2 7 1 36.672 73.344 0.388 3.78 4 100.2 50.5
270 6 3 2 36.78 73.56 0.389 3.76 4 24.1 2.9
271 7 2 -2 36.829 73.658 0.389 3.75 4 19.6 1.9
272 5 5 -2 37.018 74.036 0.391 3.72 4 40.2 8.0
273 3 7 0 37.03 74.06 0.391 3.71 4 23.4 2.7
274 6 5 0 37.102 74.205 0.392 3.7 4 8.2 0.3
275 8 0 0 37.136 74.271 0.392 3.69 2 47.3 5.5
276 6 4 -2 37.152 74.305 0.392 3.69 4 3.5 0.1
277 2 5 3 37.159 74.318 0.392 3.69 4 51.8 13.1
278 1 3 -4 37.178 74.357 0.392 3.69 4 1.1 0.0
279 5 2 3 37.186 74.373 0.392 3.69 4 29.5 4.3
280 0 3 4 37.219 74.438 0.393 3.68 4 59.3 17.2
281 3 2 -4 37.24 74.479 0.393 3.68 4 14.3 1.0
282 7 3 1 37.268 74.536 0.393 3.67 4 71.8 25.2
283 3 6 2 37.274 74.548 0.393 3.67 4 106.6 55.4
284 3 5 -3 37.431 74.861 0.395 3.64 4 83.0 33.3
285 2 2 4 37.442 74.883 0.395 3.64 4 71.7 24.9
286 8 1 0 37.513 75.027 0.395 3.63 4 17.2 1.4
287 5 6 0 37.534 75.069 0.395 3.62 4 119.8 69.1
288 6 5 -1 37.68 75.36 0.397 3.6 4 40.9 8.0
289 4 0 -4 37.718 75.436 0.397 3.59 2 47.0 5.3
290 6 2 -3 37.783 75.566 0.398 3.58 4 5.4 0.1
291 2 3 -4 37.814 75.627 0.398 3.58 4 62.2 18.4
292 3 7 -1 37.891 75.782 0.399 3.56 4 1.8 0.0
293 8 1 -1 37.901 75.801 0.399 3.56 4 63.4 19.0
294 1 3 4 37.934 75.868 0.399 3.55 4 63.8 19.3
295 7 0 2 37.969 75.938 0.399 3.55 2 38.8 3.5
296 3 0 4 37.999 75.999 0.4 3.54 2 17.1 0.7
297 4 1 -4 38.094 76.187 0.4 3.53 4 39.3 7.2
298 7 4 0 38.1 76.2 0.401 3.53 4 4.9 0.1
299 5 6 -1 38.204 76.408 0.401 3.51 4 8.2 0.3
300 4 6 -2 38.312 76.625 0.402 3.49 4 105.1 51.3
301 7 1 2 38.344 76.688 0.403 3.49 4 76.5 27.1
302 3 1 4 38.374 76.748 0.403 3.48 4 7.8 0.3
303 4 4 3 38.384 76.767 0.403 3.48 4 53.5 13.2
304 3 7 1 38.455 76.909 0.404 3.47 4 46.6 10.0
305 0 7 2 38.563 77.126 0.405 3.45 4 27.4 3.5
306 7 4 -1 38.579 77.158 0.405 3.45 4 85.7 33.7
307 8 2 0 38.639 77.277 0.405 3.44 4 36.3 6.0
308 7 3 -2 38.71 77.419 0.406 3.43 4 23.9 2.6
309 1 7 -2 38.71 77.42 0.406 3.43 4 14.0 0.9
310 6 5 1 38.807 77.614 0.407 3.42 4 28.9 3.8
311 5 4 -3 38.867 77.734 0.407 3.41 4 5.2 0.1
312 5 5 2 38.901 77.803 0.408 3.4 4 58.1 15.3
313 8 2 -1 39.022 78.044 0.409 3.39 4 43.5 8.5
314 5 3 3 39.061 78.123 0.409 3.38 4 83.5 31.3
315 1 7 2 39.084 78.168 0.409 3.38 4 8.1 0.3
316 3 3 -4 39.114 78.227 0.41 3.37 4 44.7 9.0
317 3 5 3 39.121 78.241 0.41 3.37 4 67.6 20.5
318 5 6 1 39.14 78.279 0.41 3.37 4 51.0 11.7
319 4 2 -4 39.214 78.427 0.41 3.36 4 59.7 15.9
320 2 3 4 39.312 78.625 0.411 3.35 4 8.8 0.3
321 0 6 3 39.373 78.746 0.412 3.34 4 10.7 0.5
322 4 7 0 39.38 78.76 0.412 3.34 4 1.3 0.0
323 8 1 1 39.398 78.797 0.412 3.33 4 92.4 37.8
324 6 4 2 39.406 78.812 0.412 3.33 4 45.2 9.1
325 1 6 -3 39.427 78.853 0.412 3.33 4 44.7 8.9
326 7 2 2 39.462 78.923 0.413 3.32 4 10.1 0.5
327 3 2 4 39.492 78.983 0.413 3.32 4 2.3 0.0
328 4 5 -3 39.495 78.989 0.413 3.32 4 48.5 10.4
329 2 7 -2 39.523 79.047 0.413 3.32 4 26.3 3.1
330 0 8 0 39.627 79.253 0.414 3.3 2 39.0 3.3
331 6 3 -3 39.649 79.297 0.414 3.3 4 8.1 0.3
332 1 4 -4 39.796 79.591 0.415 3.28 4 5.9 0.1
333 4 6 2 39.805 79.611 0.416 3.28 4 33.5 4.9
334 0 4 4 39.835 79.67 0.416 3.28 4 42.5 7.9
335 7 4 1 39.884 79.767 0.416 3.27 4 42.0 7.7
336 1 8 0 39.958 79.917 0.417 3.26 4 16.8 1.2
337 1 6 3 39.984 79.968 0.417 3.26 4 38.0 6.2
338 6 1 3 40.029 80.057 0.417 3.25 4 11.5 0.6
339 4 7 -1 40.133 80.266 0.418 3.24 4 24.8 2.6
340 2 6 -3 40.143 80.287 0.418 3.24 4 37.5 6.0
341 8 0 -2 40.171 80.343 0.419 3.23 2 60.5 7.9
342 2 7 2 40.266 80.531 0.42 3.22 4 14.7 0.9
343 5 0 -4 40.347 80.694 0.42 3.21 2 60.4 7.8
344 2 4 -4 40.418 80.837 0.421 3.2 4 53.1 12.0
345 8 3 0 40.493 80.986 0.422 3.2 4 8.5 0.3
346 8 2 1 40.508 81.016 0.422 3.19 4 38.4 6.3
347 6 5 -2 40.509 81.018 0.422 3.19 4 39.2 6.5
348 1 4 4 40.537 81.073 0.422 3.19 4 29.0 3.6
349 8 1 -2 40.54 81.081 0.422 3.19 4 34.8 5.1
350 4 0 4 40.702 81.404 0.423 3.17 2 41.2 3.6
351 5 1 -4 40.716 81.432 0.423 3.17 4 17.1 1.2
352 7 1 -3 40.718 81.436 0.423 3.17 4 13.2 0.7
353 0 8 1 40.748 81.495 0.424 3.17 4 47.0 9.3
354 8 3 -1 40.872 81.744 0.425 3.15 4 7.7 0.2
355 4 7 1 40.872 81.745 0.425 3.15 4 32.9 4.5
356 2 8 0 40.95 81.899 0.425 3.14 4 97.7 39.9
357 1 8 -1 40.985 81.97 0.426 3.14 4 3.1 0.0
358 3 7 -2 40.992 81.985 0.426 3.14 4 16.9 1.2
359 4 3 -4 41.061 82.123 0.426 3.13 4 28.1 3.3
360 4 1 4 41.07 82.14 0.426 3.13 4 32.4 4.4
361 5 6 -2 41.115 82.23 0.427 3.13 4 25.3 2.7
362 6 2 3 41.134 82.268 0.427 3.12 4 13.5 0.8
363 1 8 1 41.169 82.339 0.427 3.12 4 37.9 6.0
364 6 6 0 41.197 82.393 0.428 3.12 4 15.1 0.9
365 2 6 3 41.252 82.503 0.428 3.11 4 35.8 5.3
366 7 4 -2 41.299 82.598 0.428 3.11 4 50.4 10.5
367 7 3 2 41.306 82.613 0.428 3.11 4 70.8 20.7
368 3 3 4 41.336 82.673 0.429 3.1 4 37.7 5.9
369 7 5 0 41.435 82.869 0.43 3.09 4 21.6 1.9
370 3 6 -3 41.515 83.031 0.43 3.08 4 17.8 1.3
371 8 2 -2 41.643 83.287 0.431 3.07 4 0.4 0.0
372 5 4 3 41.645 83.29 0.431 3.07 4 19.8 1.6
373 3 4 -4 41.697 83.393 0.432 3.07 4 30.6 3.8
374 4 5 3 41.713 83.425 0.432 3.07 4 26.6 2.9
375 6 6 -1 41.758 83.517 0.432 3.06 4 24.9 2.5
376 5 2 -4 41.818 83.635 0.433 3.06 4 21.9 2.0
377 7 2 -3 41.82 83.64 0.433 3.06 4 3.7 0.1
378 2 8 -1 41.88 83.759 0.433 3.05 4 20.7 1.7
379 2 4 4 41.893 83.785 0.433 3.05 4 24.9 2.5
380 7 5 -1 41.904 83.808 0.434 3.05 4 18.2 1.3
381 3 7 2 42.096 84.192 0.435 3.03 4 13.9 0.8
382 4 2 4 42.17 84.34 0.436 3.02 4 8.4 0.3
383 5 5 -3 42.186 84.373 0.436 3.02 4 27.6 3.1
384 6 4 -3 42.224 84.449 0.436 3.02 4 77.1 23.8
385 2 8 1 42.247 84.494 0.436 3.02 4 2.1 0.0
386 8 3 1 42.343 84.687 0.437 3.01 4 24.7 2.4
387 5 7 0 42.349 84.698 0.437 3.01 4 13.0 0.7
388 3 8 0 42.592 85.183 0.439 2.99 4 45.7 8.3
389 6 5 2 42.717 85.433 0.44 2.98 4 9.0 0.3
390 9 0 0 42.779 85.557 0.441 2.97 2 18.5 0.7
391 6 6 1 42.859 85.718 0.442 2.97 4 24.0 2.3
392 5 6 2 42.951 85.902 0.442 2.96 4 3.2 0.0
393 6 3 3 42.965 85.93 0.442 2.96 4 28.1 3.1
394 5 7 -1 43.0 86.0 0.443 2.95 4 104.4 42.8
395 8 4 0 43.059 86.118 0.443 2.95 4 56.3 12.4
396 1 5 -4 43.1 86.2 0.444 2.95 4 17.3 1.2
397 4 7 -2 43.105 86.211 0.444 2.95 4 3.3 0.0
398 8 0 2 43.115 86.23 0.444 2.95 2 56.3 6.2
399 0 5 4 43.139 86.279 0.444 2.94 4 35.8 5.0
400 9 1 0 43.144 86.287 0.444 2.94 4 20.2 1.6
401 3 6 3 43.166 86.333 0.444 2.94 4 5.0 0.1
402 7 5 1 43.187 86.374 0.444 2.94 4 8.4 0.3
403 3 8 -1 43.425 86.85 0.446 2.92 4 7.9 0.2
404 9 1 -1 43.428 86.855 0.446 2.92 4 73.4 20.9
405 8 4 -1 43.435 86.869 0.446 2.92 4 39.3 6.0
406 8 3 -2 43.471 86.942 0.447 2.92 4 74.0 21.3
407 8 1 2 43.48 86.959 0.447 2.92 4 33.7 4.4
408 4 6 -3 43.533 87.067 0.447 2.92 4 3.1 0.0
409 6 0 -4 43.591 87.182 0.448 2.91 2 62.9 7.6
410 4 4 -4 43.622 87.244 0.448 2.91 4 78.1 23.6
411 5 3 -4 43.644 87.289 0.448 2.91 4 33.3 4.3
412 7 3 -3 43.647 87.294 0.448 2.91 4 3.2 0.0
413 2 5 -4 43.715 87.43 0.449 2.9 4 71.2 19.6
414 1 5 4 43.832 87.664 0.45 2.9 4 10.0 0.4
415 7 4 2 43.866 87.731 0.45 2.89 4 6.4 0.2
416 3 4 4 43.895 87.79 0.45 2.89 4 22.0 1.9
417 5 7 1 43.914 87.829 0.45 2.89 4 7.7 0.2
418 6 1 -4 43.955 87.911 0.451 2.89 4 17.9 1.2
419 3 8 1 43.974 87.947 0.451 2.89 4 5.6 0.1
420 4 3 4 43.995 87.991 0.451 2.88 4 29.0 3.2
421 5 0 4 44.02 88.039 0.451 2.88 2 21.9 0.9
422 0 8 2 44.079 88.158 0.452 2.88 4 35.0 4.7
423 0 7 3 44.143 88.286 0.452 2.88 4 131.5 66.1
424 1 7 -3 44.196 88.391 0.453 2.87 4 29.3 3.3
425 1 1 -5 44.218 88.436 0.453 2.87 4 48.6 9.0
426 1 8 -2 44.223 88.445 0.453 2.87 4 57.9 12.8
427 9 2 0 44.237 88.475 0.453 2.87 4 4.4 0.1
428 0 1 5 44.348 88.697 0.454 2.86 4 46.5 8.2
429 5 1 4 44.384 88.768 0.454 2.86 4 62.2 14.7
430 9 2 -1 44.521 89.042 0.455 2.85 4 75.8 21.8
431 6 6 -2 44.533 89.066 0.455 2.85 4 2.7 0.0
432 4 7 2 44.568 89.136 0.456 2.85 4 2.8 0.0
433 7 1 3 44.569 89.138 0.456 2.85 4 27.9 2.9
434 8 2 2 44.573 89.146 0.456 2.85 4 66.6 16.8
435 7 5 -2 44.587 89.173 0.456 2.85 4 22.2 1.9
436 1 8 2 44.588 89.176 0.456 2.85 4 14.7 0.8
437 2 1 -5 44.74 89.481 0.457 2.84 4 35.3 4.7
438 1 7 3 44.743 89.487 0.457 2.84 4 40.3 6.1
439 4 8 0 44.878 89.757 0.458 2.83 4 1.3 0.0
440 8 4 1 44.896 89.793 0.458 2.83 4 47.8 8.6
441 2 7 -3 44.901 89.801 0.458 2.83 4 15.6 0.9
442 5 5 3 44.93 89.86 0.458 2.83 4 19.1 1.4
443 3 5 -4 44.981 89.963 0.459 2.83 4 31.4 3.7
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 1 0 0 4.328 8.656 10.20738 1772.9 97.3 97.5 5.6
2 1 1 0 6.302 12.605 7.01695 1822.9 100.0 100.0 5.6
3 2 0 0 8.681 17.361 5.10369 128.2 7.0 7.0 5.6
4 0 2 0 9.175 18.349 4.831 856.4 47.0 46.8 5.6
5 0 1 1 9.215 18.431 4.80987 598.4 32.8 32.7 5.6
6 2 1 0 9.828 19.656 4.51279 414.9 22.8 22.7 5.6
7 1 2 0 10.16 20.32 4.36663 138.7 7.6 7.6 5.6
8 1 1 1 10.456 20.912 4.24444 1663.4 91.3 90.8 5.6
9 0 2 1 12.208 24.415 3.64274 20.9 1.1 1.1 5.6
10 2 2 0 12.683 25.365 3.50847 88.6 4.9 4.8 5.6
11 1 2 -1 12.764 25.529 3.48637 364.1 20.0 19.8 5.6
12 3 0 0 13.085 26.169 3.40246 167.9 9.2 9.1 5.6
13 2 1 1 13.131 26.263 3.39056 90.8 5.0 4.9 5.6
14 1 3 0 14.524 29.049 3.07141 264.3 14.5 14.3 5.6
15 2 2 -1 14.69 29.379 3.03757 502.5 27.6 27.2 5.6
16 2 2 1 15.418 30.836 2.89735 707.8 38.8 38.3 5.6
17 3 1 -1 15.578 31.156 2.86832 1306.1 71.7 70.7 5.6
18 3 2 0 16.075 32.151 2.78178 422.3 23.2 22.8 5.6
19 0 0 2 16.128 32.256 2.77295 104.9 5.8 5.7 5.6
20 1 0 -2 16.395 32.79 2.72897 27.4 1.5 1.5 5.6
21 2 3 0 16.428 32.856 2.72369 362.8 19.9 19.6 5.6
22 1 3 -1 16.492 32.985 2.71331 72.5 4.0 3.9 5.6
23 3 1 1 16.606 33.213 2.69521 26.1 1.4 1.4 5.6
24 1 3 1 16.825 33.65 2.6612 195.7 10.7 10.6 5.7
25 1 1 -2 17.056 34.112 2.62622 613.7 33.7 33.1 5.7
26 4 0 0 17.569 35.138 2.55184 75.3 4.1 4.1 5.7
27 1 1 2 17.697 35.393 2.53402 18.6 1.0 1.0 5.7
28 2 0 -2 17.812 35.623 2.51817 275.5 15.1 14.9 5.7
29 2 3 -1 18.058 36.115 2.48499 47.7 2.6 2.6 5.7
30 4 1 0 18.192 36.384 2.46724 51.2 2.8 2.8 5.7
31 3 2 1 18.506 37.012 2.4268 324.6 17.8 17.5 5.7
32 0 4 0 18.596 37.192 2.4155 20.3 1.1 1.1 5.7
33 2 3 1 18.668 37.337 2.40644 23.4 1.3 1.3 5.7
34 1 4 0 19.129 38.258 2.35058 98.6 5.4 5.3 5.7
35 1 2 2 19.504 39.008 2.30713 32.6 1.8 1.8 5.7
36 2 1 2 19.613 39.226 2.29477 120.5 6.6 6.5 5.7
37 3 0 -2 20.167 40.333 2.2343 57.4 3.1 3.1 5.7
38 0 4 1 20.354 40.709 2.21456 332.0 18.2 17.8 5.7
39 4 1 1 20.543 41.086 2.19511 305.0 16.7 16.4 5.7
40 1 4 1 20.987 41.973 2.15073 72.5 4.0 3.9 5.7
41 4 2 -1 21.088 42.175 2.14087 49.9 2.7 2.7 5.7
42 2 2 2 21.282 42.564 2.12222 173.8 9.5 9.3 5.7
43 3 3 1 21.349 42.697 2.11592 107.2 5.9 5.7 5.7
44 0 3 2 21.504 43.007 2.10139 165.7 9.1 8.9 5.7
45 1 3 -2 21.713 43.427 2.08205 114.1 6.3 6.1 5.7
46 2 4 -1 22.02 44.04 2.05446 77.5 4.3 4.1 5.7
47 4 2 1 22.154 44.308 2.04265 191.3 10.5 10.2 5.7
48 3 2 -2 22.324 44.647 2.02792 172.0 9.4 9.2 5.7
49 5 1 0 22.684 45.368 1.99738 53.8 3.0 2.9 5.7
50 3 4 0 23.022 46.043 1.96962 102.7 5.6 5.5 5.7
51 4 3 -1 23.674 47.349 1.91833 86.0 4.7 4.6 5.7
52 2 3 2 23.852 47.704 1.90487 18.7 1.0 1.0 5.7
53 1 5 0 23.935 47.869 1.89868 67.0 3.7 3.6 5.7
54 3 3 -2 24.809 49.617 1.83579 39.7 2.2 2.1 5.7
55 3 4 1 24.881 49.762 1.83081 45.1 2.5 2.4 5.7
56 0 5 1 24.968 49.937 1.8248 33.4 1.8 1.8 5.7
57 5 2 -1 25.038 50.076 1.82006 157.5 8.6 8.4 5.7
58 1 1 -3 25.17 50.34 1.81111 26.0 1.4 1.4 5.8
59 1 4 -2 25.206 50.411 1.80874 20.7 1.1 1.1 5.8
60 1 5 -1 25.274 50.548 1.80416 34.9 1.9 1.9 5.8
61 1 4 2 25.676 51.353 1.77776 32.3 1.8 1.7 5.8
62 2 1 -3 26.074 52.148 1.75249 196.1 10.8 10.4 5.8
63 2 5 -1 26.405 52.811 1.73206 18.5 1.0 1.0 5.8
64 1 2 -3 26.562 53.124 1.72259 64.5 3.5 3.4 5.8
65 2 5 1 26.861 53.722 1.70481 119.2 6.5 6.3 5.8
66 4 2 2 27.024 54.049 1.69528 90.4 5.0 4.8 5.8
67 2 4 2 27.134 54.269 1.68892 128.2 7.0 6.8 5.8
68 1 2 3 27.241 54.481 1.68283 27.9 1.5 1.5 5.8
69 3 5 0 27.285 54.57 1.68031 157.8 8.7 8.3 5.8
70 6 1 0 27.371 54.741 1.67546 32.7 1.8 1.7 5.8
71 2 1 3 27.437 54.874 1.6717 174.2 9.6 9.2 5.8
72 3 1 -3 27.756 55.512 1.654 37.4 2.1 2.0 5.8
73 3 4 -2 28.01 56.02 1.64021 54.0 3.0 2.8 5.8
74 6 1 -1 28.048 56.095 1.63818 83.7 4.6 4.4 5.8
75 5 3 1 28.442 56.883 1.61734 25.8 1.4 1.4 5.8
76 5 2 -2 28.591 57.182 1.60959 28.5 1.6 1.5 5.8
77 6 2 0 28.688 57.375 1.60464 30.3 1.7 1.6 5.8
78 1 3 -3 28.776 57.552 1.60013 93.9 5.2 4.9 5.8
79 3 5 1 28.944 57.889 1.59162 51.2 2.8 2.7 5.8
80 5 0 2 29.029 58.058 1.58739 118.1 6.5 6.2 5.8
81 3 2 -3 29.061 58.123 1.58576 50.2 2.8 2.6 5.8
82 4 3 2 29.215 58.43 1.57816 54.7 3.0 2.9 5.8
83 1 3 3 29.421 58.841 1.5681 41.9 2.3 2.2 5.8
84 5 4 0 29.605 59.211 1.5592 39.3 2.2 2.1 5.8
85 1 5 2 29.664 59.328 1.5564 57.7 3.2 3.0 5.8
86 0 6 1 29.874 59.748 1.54646 34.4 1.9 1.8 5.8
87 4 5 0 30.0 60.001 1.54054 117.4 6.4 6.2 5.8
88 2 6 0 30.105 60.209 1.5357 115.2 6.3 6.0 5.8
89 2 5 -2 30.163 60.325 1.53304 64.9 3.6 3.4 5.8
90 1 6 1 30.355 60.71 1.52423 85.6 4.7 4.5 5.8
91 5 3 -2 30.709 61.418 1.50834 73.4 4.0 3.8 5.8
92 6 3 0 30.801 61.603 1.50426 67.9 3.7 3.6 5.8
93 6 0 -2 30.856 61.712 1.50186 229.4 12.6 12.0 5.8
94 3 2 3 30.959 61.918 1.49735 33.4 1.8 1.7 5.8
95 2 5 2 30.996 61.993 1.49573 87.9 4.8 4.6 5.8
96 3 3 -3 31.16 62.319 1.48868 21.5 1.2 1.1 5.8
97 6 1 -2 31.268 62.536 1.48404 19.4 1.1 1.0 5.8
98 4 2 -3 31.373 62.746 1.47958 126.4 6.9 6.6 5.9
99 6 3 -1 31.431 62.863 1.47711 74.0 4.1 3.9 5.9
100 4 5 1 31.671 63.343 1.46707 18.8 1.0 1.0 5.9
101 1 4 -3 31.707 63.413 1.46561 44.3 2.4 2.3 5.9
102 3 5 -2 31.804 63.608 1.46159 100.2 5.5 5.2 5.9
103 7 0 0 31.887 63.773 1.4582 71.4 3.9 3.7 5.9
104 4 4 2 32.121 64.243 1.44868 36.3 2.0 1.9 5.9
105 1 4 3 32.316 64.632 1.44088 58.1 3.2 3.0 5.9
106 2 4 -3 32.49 64.979 1.43402 42.0 2.3 2.2 5.9
107 3 3 3 32.986 65.973 1.41481 34.6 1.9 1.8 5.9
108 5 1 -3 33.113 66.226 1.41001 44.2 2.4 2.3 5.9
109 6 0 2 33.292 66.584 1.40331 90.6 5.0 4.7 5.9
110 7 2 0 33.489 66.979 1.39599 26.4 1.4 1.4 5.9
111 0 6 2 33.583 67.166 1.39255 25.8 1.4 1.3 5.9
112 1 0 -4 33.708 67.415 1.38801 129.9 7.1 6.7 5.9
113 1 6 -2 33.739 67.477 1.38688 76.2 4.2 3.9 5.9
114 4 2 3 33.788 67.577 1.38507 66.5 3.6 3.4 5.9
115 5 5 -1 33.993 67.986 1.37774 26.9 1.5 1.4 5.9
116 0 1 4 34.143 68.286 1.37242 52.2 2.9 2.7 5.9
117 5 2 -3 34.296 68.593 1.36702 20.7 1.1 1.1 5.9
118 2 6 -2 34.595 69.191 1.35665 21.5 1.2 1.1 5.9
119 1 1 4 34.883 69.767 1.34686 36.5 2.0 1.9 5.9
120 1 2 -4 35.268 70.537 1.33404 60.2 3.3 3.1 5.9
121 7 0 -2 35.298 70.597 1.33305 48.7 2.7 2.5 5.9
122 1 7 -1 35.355 70.709 1.3312 115.2 6.3 5.9 5.9
123 6 4 1 35.399 70.798 1.32975 21.6 1.2 1.1 5.9
124 7 3 0 35.441 70.882 1.32838 21.8 1.2 1.1 5.9
125 5 1 3 36.045 72.091 1.30905 54.9 3.0 2.8 5.9
126 3 6 -2 36.13 72.261 1.30639 24.5 1.3 1.3 5.9
127 2 7 1 36.672 73.344 1.28975 50.5 2.8 2.6 6.0
128 2 5 3 37.159 74.318 1.27524 23.0 1.3 1.2 6.0
129 3 6 2 37.274 74.548 1.27187 80.6 4.4 4.1 6.0
130 3 5 -3 37.431 74.861 1.26733 58.2 3.2 3.0 6.0
131 5 6 0 37.534 75.069 1.26433 70.5 3.9 3.6 6.0
132 2 3 -4 37.814 75.627 1.25638 18.4 1.0 0.9 6.0
133 8 1 -1 37.901 75.801 1.25393 19.0 1.0 1.0 6.0
134 1 3 4 37.934 75.868 1.25299 19.3 1.1 1.0 6.0
135 4 6 -2 38.312 76.625 1.24249 51.3 2.8 2.6 6.0
136 7 1 2 38.344 76.688 1.24163 27.1 1.5 1.4 6.0
137 7 4 -1 38.579 77.158 1.23523 37.2 2.0 1.9 6.0
138 5 3 3 39.061 78.123 1.22237 31.6 1.7 1.6 6.0
139 5 6 1 39.14 78.279 1.22032 41.1 2.3 2.1 6.0
140 8 1 1 39.398 78.797 1.2136 55.7 3.1 2.8 6.0
141 2 8 0 40.95 81.899 1.17529 39.9 2.2 2.0 6.1
142 7 3 2 41.306 82.613 1.16694 37.1 2.0 1.9 6.1
143 6 4 -3 42.224 84.449 1.14619 23.9 1.3 1.2 6.1
144 5 7 -1 43.0 86.0 1.12945 42.8 2.3 2.1 6.1
145 9 1 -1 43.428 86.855 1.12051 26.9 1.5 1.3 6.1
146 8 3 -2 43.471 86.942 1.11961 25.7 1.4 1.3 6.1
147 4 4 -4 43.622 87.244 1.11651 27.9 1.5 1.4 6.2
148 2 5 -4 43.715 87.43 1.11462 19.6 1.1 1.0 6.2
149 0 7 3 44.143 88.286 1.106 66.1 3.6 3.3 6.2
150 1 8 -2 44.223 88.445 1.10442 25.1 1.4 1.2 6.2
151 9 2 -1 44.521 89.042 1.09856 21.8 1.2 1.1 6.2
152 8 2 2 44.573 89.146 1.09756 22.5 1.2 1.1 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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