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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CHALCONATRONITE
1
Na(2)Cu[CO(3)](2).3H(2)O
Monoclinic P 2(1)/c Z = 4
R =0.042 NR =995
19 .11 .1993
Ref.Str.:
Harlow R.L., Simonsen S.H. (1975)
* Acta Cryst., B31, 1313-1318
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.691 alpha = 90.0
b = 6.091 beta = 126.4
c = 17.111 gamma = 90.0
Unit cell volume (cub. angs.) = 812.96
Molar volume ( cub.cm/mol.) = 122.42
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0573 0.9901 0.1803 0.0 Cu = 1.00
2 0.4918 0.9773 0.5979 0.0 Na = 1.00
3 0.3659 0.2636 0.2014 0.0 Na = 1.00
4 0.0781 0.2204 0.265 0.0 O = 1.00
5 0.1871 0.4741 0.3783 0.0 O = 1.00
6 0.3448 0.3467 0.3321 0.0 O = 1.00
7 0.0805 0.7391 0.1135 0.0 O = 1.00
8 0.298 0.9177 0.2335 0.0 O = 1.00
9 0.349 0.6398 0.1678 0.0 O = 1.00
10 0.052 0.2672 0.0819 0.0 O = 1.00
11 0.3026 0.8996 0.4326 0.0 O = 1.00
12 0.3988 0.1557 0.0791 0.0 O = 1.00
13 0.2065 0.3471 0.3242 0.0 C = 1.00
14 0.2466 0.76 0.171 0.0 C = 1.00
15 0.01 0.26 0.015 0.0 H = 1.00
16 0.03 0.4 0.095 0.0 H = 1.00
17 0.27 0.76 0.41 0.0 H = 1.00
18 0.21 0.975 0.4 0.0 H = 1.00
19 0.33 0.12 0.02 0.0 H = 1.00
20 0.48 0.05 0.115 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0573 0.9901 0.1803
2 2 0.4918 0.9773 0.5979
3 3 0.3659 0.2636 0.2014
4 4 0.0781 0.2204 0.265
5 5 0.1871 0.4741 0.3783
6 6 0.3448 0.3467 0.3321
7 7 0.0805 0.7391 0.1135
8 8 0.298 0.9177 0.2335
9 9 0.349 0.6398 0.1678
10 10 0.052 0.2672 0.0819
11 11 0.3026 0.8996 0.4326
12 12 0.3988 0.1557 0.0791
13 13 0.2065 0.3471 0.3242
14 14 0.2466 0.76 0.171
15 15 0.01 0.26 0.015
16 16 0.03 0.4 0.095
17 17 0.27 0.76 0.41
18 18 0.21 0.975 0.4
19 19 0.33 0.12 0.02
20 20 0.48 0.05 0.115
21 1 0.9426 0.4901 0.3197
22 2 0.5082 0.4773 0.9021
23 3 0.6341 0.7636 0.2986
24 4 0.9219 0.7204 0.235
25 5 0.8129 0.9741 0.1217
26 6 0.6552 0.8467 0.1679
27 7 0.9195 0.2391 0.3865
28 8 0.702 0.4177 0.2665
29 9 0.651 0.1398 0.3322
30 10 0.948 0.7672 0.4181
31 11 0.6974 0.3996 0.0674
32 12 0.6012 0.6557 0.4209
33 13 0.7935 0.8471 0.1758
34 14 0.7534 0.26 0.329
35 15 0.99 0.76 0.485
36 16 0.97 0.9 0.405
37 17 0.73 0.26 0.09
38 18 0.79 0.475 0.1
39 19 0.67 0.62 0.48
40 20 0.52 0.55 0.385
41 1 0.0573 0.5099 0.6803
42 2 0.4918 0.5227 0.0979
43 3 0.3659 0.2364 0.7014
44 4 0.0781 0.2796 0.765
45 5 0.1871 0.0259 0.8783
46 6 0.3448 0.1533 0.8321
47 7 0.0805 0.7609 0.6135
48 8 0.298 0.5823 0.7335
49 9 0.349 0.8602 0.6678
50 10 0.052 0.2328 0.5819
51 11 0.3026 0.6004 0.9326
52 12 0.3988 0.3443 0.5791
53 13 0.2065 0.1529 0.8242
54 14 0.2466 0.74 0.671
55 15 0.01 0.24 0.515
56 16 0.03 0.1 0.595
57 17 0.27 0.74 0.91
58 18 0.21 0.525 0.9
59 19 0.33 0.38 0.52
60 20 0.48 0.45 0.615
61 1 0.9426 0.0099 0.8197
62 2 0.5082 0.0227 0.4021
63 3 0.6341 0.7364 0.7986
64 4 0.9219 0.7796 0.735
65 5 0.8129 0.5259 0.6217
66 6 0.6552 0.6533 0.6679
67 7 0.9195 0.2609 0.8865
68 8 0.702 0.0823 0.7665
69 9 0.651 0.3602 0.8322
70 10 0.948 0.7328 0.9181
71 11 0.6974 0.1004 0.5674
72 12 0.6012 0.8443 0.9209
73 13 0.7935 0.6529 0.6758
74 14 0.7534 0.24 0.829
75 15 0.99 0.74 0.985
76 16 0.97 0.6 0.905
77 17 0.73 0.24 0.59
78 18 0.79 0.025 0.6
79 19 0.67 0.88 0.98
80 20 0.52 0.95 0.885
X-ray density (g/cm cub.) = 2.32
MU (1/cm) = 53.209 Mass attenuation coefficient (cm**2/g) = 22.972
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
1.9397 4
1.9997 7
1.9856 8
2.3625 10
2.5995 4
1.9514 5
2 Na 2.808 6
2.3304 11
2.4122 9
2.3598 12
2.3634 6
2.4304 8
2.4574 11
3 Na 2.808 6
2.4171 6
2.367 8
2.3444 9
2.4603 10
2.3885 12
2.4233 9
4 O 3.264 7
2.1981 5
2.2513 6
3.0975 8
3.0034 10
3.0612 11
2.7183 5
3.2388 7
5 O 3.264 6
2.1981 4
2.2353 6
2.7566 11
2.7183 4
3.0374 7
2.8763 12
6 O 3.264 5
2.2513 4
2.2353 5
2.9953 8
3.223 9
2.7467 12
7 O 3.264 7
2.1693 8
2.265 9
3.2463 10
2.9074 10
3.2388 4
3.0374 5
2.781 10
8 O 3.264 7
3.0975 4
2.9953 6
2.1693 7
2.2434 9
3.0991 10
3.0868 9
3.2063 12
9 O 3.264 5
2.265 7
2.2434 8
3.2518 10
3.223 6
3.0868 8
10 O 3.264 6
3.0034 4
2.9074 7
3.2463 7
3.0991 8
3.2518 9
2.781 7
11 O 3.264 2
3.0612 4
2.7566 5
12 O 3.264 3
2.7467 6
3.2063 8
2.8763 5
13 C 1.872 3
1.2939 4
1.3028 5
1.2647 6
14 C 1.872 3
1.3022 7
1.297 8
1.2603 9
15 H 1.632 1
0.9618 10
16 H 1.632 1
0.8982 10
17 H 1.632 1
0.9096 11
18 H 1.632 1
0.8563 11
19 H 1.632 1
0.8451 12
20 H 1.632 1
0.9151 12
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 -2 5.49 10.981 0.062 215.51 2 19.2 24.1
2 1 0 0 5.667 11.335 0.064 202.12 2 53.8 176.8
3 0 0 2 6.422 12.845 0.073 156.88 2 133.6 847.4
4 0 1 1 7.948 15.896 0.09 101.65 4 26.5 43.1
5 1 1 -1 8.592 17.183 0.097 86.68 4 85.3 381.9
6 1 1 -2 9.124 18.249 0.103 76.6 4 1.4 0.1
7 2 0 -2 9.152 18.304 0.103 76.12 2 27.7 17.6
8 1 1 0 9.233 18.466 0.104 74.76 4 20.4 18.8
9 0 1 2 9.72 19.44 0.11 67.24 4 33.3 45.1
10 1 0 -4 10.559 21.118 0.119 56.65 2 71.3 87.2
11 1 1 -3 10.662 21.324 0.12 55.52 4 126.7 539.3
12 1 0 2 10.841 21.681 0.122 53.64 2 88.0 125.7
13 1 1 1 10.849 21.698 0.122 53.55 4 47.2 72.3
14 2 0 -4 11.032 22.064 0.124 51.72 2 31.0 15.0
15 2 0 0 11.391 22.782 0.128 48.38 2 52.4 40.2
16 2 1 -2 11.724 23.449 0.132 45.55 4 30.9 26.3
17 2 1 -3 12.084 24.167 0.136 42.76 4 81.6 172.1
18 0 1 3 12.129 24.257 0.136 42.43 4 118.8 362.3
19 2 1 -1 12.25 24.5 0.138 41.55 4 48.5 59.2
20 1 1 -4 12.865 25.729 0.145 37.48 4 0.3 0.0
21 0 0 4 12.927 25.855 0.145 37.1 2 104.1 121.7
22 1 1 2 13.099 26.199 0.147 36.08 4 40.4 35.6
23 2 1 -4 13.26 26.519 0.149 35.16 4 55.7 66.1
24 2 1 0 13.563 27.127 0.152 33.52 4 20.2 8.3
25 3 0 -4 14.077 28.153 0.158 30.98 2 32.4 9.8
26 3 0 -2 14.293 28.586 0.16 29.99 2 87.8 70.0
27 0 2 0 14.651 29.301 0.164 28.45 2 22.0 4.2
28 0 1 4 14.891 29.782 0.167 27.47 4 99.2 163.7
29 0 2 1 15.013 30.025 0.168 27.0 4 42.8 29.9
30 2 1 -5 15.076 30.152 0.169 26.75 4 5.7 0.5
31 1 2 -1 15.375 30.75 0.172 25.65 4 72.8 82.3
32 1 1 -5 15.473 30.945 0.173 25.3 4 104.4 166.8
33 2 1 1 15.48 30.96 0.173 25.28 4 48.6 36.1
34 3 1 -3 15.666 31.332 0.175 24.64 4 49.7 36.9
35 2 0 -6 15.671 31.341 0.175 24.62 2 39.1 11.4
36 1 2 -2 15.689 31.378 0.176 24.56 4 118.4 208.4
37 1 1 3 15.737 31.474 0.176 24.4 4 83.7 103.5
38 1 2 0 15.755 31.509 0.176 24.34 4 27.3 11.0
39 3 1 -4 15.91 31.82 0.178 23.83 4 0.8 0.0
40 0 2 2 16.055 32.109 0.18 23.37 4 9.6 1.3
41 3 1 -2 16.104 32.208 0.18 23.21 4 45.5 29.1
42 2 0 2 16.19 32.379 0.181 22.95 2 15.7 1.7
43 1 2 -3 16.662 33.324 0.186 21.56 4 9.7 1.2
44 3 0 -6 16.68 33.36 0.186 21.51 2 77.1 38.7
45 1 0 -6 16.747 33.495 0.187 21.32 2 107.9 75.1
46 1 2 1 16.786 33.572 0.187 21.22 4 43.6 24.5
47 3 1 -5 16.81 33.62 0.188 21.15 4 32.4 13.4
48 1 0 4 17.055 34.11 0.19 20.5 2 61.4 23.4
49 3 1 -1 17.178 34.355 0.192 20.18 4 81.1 80.4
50 3 0 0 17.233 34.465 0.192 20.04 2 115.5 81.0
51 2 1 -6 17.352 34.704 0.194 19.74 4 31.9 12.2
52 2 2 -2 17.384 34.769 0.194 19.66 4 21.0 5.2
53 2 2 -3 17.637 35.274 0.197 19.05 4 11.4 1.5
54 0 2 3 17.669 35.338 0.197 18.97 4 20.3 4.7
55 2 2 -1 17.755 35.511 0.198 18.77 4 92.7 97.7
56 2 1 2 17.828 35.655 0.199 18.61 4 25.0 7.1
57 0 1 5 17.873 35.746 0.199 18.5 4 109.2 133.5
58 1 2 -4 18.2 36.4 0.203 17.78 4 21.0 4.8
59 3 1 -6 18.28 36.559 0.204 17.61 4 78.3 65.4
60 1 1 -6 18.341 36.683 0.204 17.48 4 21.3 4.8
61 1 2 2 18.372 36.744 0.205 17.42 4 44.3 20.7
62 2 2 -4 18.491 36.982 0.206 17.17 4 135.8 191.6
63 4 0 -4 18.549 37.098 0.206 17.05 2 137.4 97.4
64 1 1 4 18.626 37.253 0.207 16.9 4 30.8 9.7
65 2 2 0 18.717 37.435 0.208 16.72 4 55.0 30.6
66 3 1 0 18.791 37.582 0.209 16.57 4 69.5 48.5
67 4 0 -6 19.49 38.98 0.217 15.29 2 20.9 2.0
68 0 0 6 19.607 39.215 0.218 15.09 2 18.2 1.5
69 0 2 4 19.735 39.47 0.219 14.87 4 40.2 14.5
70 2 2 -5 19.879 39.759 0.221 14.63 4 19.5 3.4
71 4 0 -2 19.922 39.843 0.221 14.56 2 142.8 89.9
72 2 1 -7 19.958 39.915 0.222 14.5 4 89.8 70.8
73 4 1 -4 20.019 40.038 0.222 14.41 4 12.1 1.3
74 4 1 -5 20.19 40.381 0.224 14.13 4 34.8 10.3
75 1 2 -5 20.193 40.385 0.224 14.13 4 29.4 7.4
76 2 2 1 20.199 40.397 0.224 14.12 4 4.3 0.2
77 3 1 -7 20.213 40.426 0.224 14.1 4 55.7 26.5
78 3 2 -3 20.347 40.693 0.226 13.89 4 7.1 0.4
79 4 1 -3 20.401 40.802 0.226 13.81 4 34.8 10.1
80 1 2 3 20.403 40.806 0.226 13.81 4 62.7 32.9
81 2 1 3 20.486 40.971 0.227 13.68 4 8.7 0.6
82 3 2 -4 20.542 41.084 0.228 13.6 4 52.6 22.7
83 3 2 -2 20.698 41.396 0.229 13.37 4 9.1 0.7
84 3 1 1 20.839 41.678 0.231 13.17 4 45.5 16.5
85 4 1 -6 20.904 41.808 0.232 13.08 4 29.4 6.8
86 0 1 6 21.015 42.03 0.233 12.93 4 39.5 12.2
87 3 0 -8 21.189 42.378 0.235 12.69 2 128.3 63.2
88 3 2 -5 21.271 42.543 0.235 12.58 4 14.4 1.6
89 4 1 -2 21.312 42.624 0.236 12.53 4 3.3 0.1
90 1 1 -7 21.4 42.8 0.237 12.41 4 4.6 0.2
91 2 0 -8 21.5 43.0 0.238 12.28 2 21.6 1.7
92 3 2 -1 21.574 43.147 0.239 12.19 4 20.9 3.2
93 1 1 5 21.701 43.401 0.24 12.03 4 6.8 0.3
94 2 2 -6 21.718 43.436 0.24 12.01 4 190.6 264.1
95 3 0 2 21.94 43.881 0.243 11.73 2 202.8 146.1
96 2 0 4 22.096 44.192 0.244 11.55 2 25.9 2.3
97 2 2 2 22.114 44.227 0.244 11.53 4 70.8 35.0
98 4 1 -7 22.117 44.235 0.244 11.52 4 74.2 38.3
99 0 2 5 22.151 44.303 0.245 11.48 4 2.4 0.0
100 3 2 -6 22.493 44.985 0.248 11.09 4 90.4 54.9
101 4 0 -8 22.501 45.003 0.248 11.09 2 40.3 5.5
102 3 1 -8 22.515 45.03 0.249 11.07 4 13.2 1.2
103 1 2 -6 22.545 45.09 0.249 11.04 4 164.6 180.9
104 0 3 1 22.55 45.1 0.249 11.03 4 19.3 2.5
105 4 1 -1 22.7 45.401 0.251 10.87 4 78.3 40.3
106 1 2 4 22.786 45.571 0.251 10.78 4 38.3 9.6
107 1 3 -1 22.807 45.614 0.252 10.75 4 125.5 102.6
108 2 1 -8 22.812 45.623 0.252 10.75 4 2.3 0.0
109 3 2 0 22.925 45.851 0.253 10.63 4 43.2 12.0
110 1 3 -2 23.033 46.066 0.254 10.52 4 18.1 2.1
111 1 3 0 23.081 46.161 0.254 10.47 4 44.7 12.6
112 3 1 2 23.232 46.465 0.256 10.31 4 0.4 0.0
113 4 0 0 23.266 46.532 0.256 10.28 2 9.6 0.3
114 0 3 2 23.299 46.598 0.257 10.25 4 34.3 7.3
115 2 1 4 23.381 46.762 0.258 10.16 4 3.8 0.1
116 1 0 -8 23.383 46.765 0.258 10.16 2 40.6 5.1
117 5 0 -6 23.559 47.118 0.259 9.99 2 40.0 4.8
118 1 0 6 23.71 47.42 0.261 9.85 2 15.4 0.7
119 1 3 -3 23.748 47.495 0.261 9.81 4 119.3 84.5
120 4 1 -8 23.77 47.539 0.262 9.79 4 25.5 3.8
121 5 0 -4 23.792 47.584 0.262 9.77 2 45.3 6.1
122 1 3 1 23.84 47.681 0.262 9.73 4 33.4 6.6
123 2 2 -7 23.926 47.853 0.263 9.65 4 31.2 5.7
124 4 2 -4 23.979 47.959 0.264 9.6 4 124.2 89.6
125 4 2 -5 24.128 48.256 0.265 9.46 4 7.8 0.3
126 3 2 -7 24.148 48.296 0.266 9.45 4 10.9 0.7
127 2 3 -2 24.292 48.583 0.267 9.32 4 4.1 0.1
128 0 1 7 24.294 48.588 0.267 9.32 4 18.8 2.0
129 4 2 -3 24.311 48.623 0.267 9.3 4 20.0 2.3
130 2 2 3 24.385 48.77 0.268 9.24 4 31.2 5.4
131 2 3 -3 24.484 48.969 0.269 9.15 4 43.6 10.5
132 4 1 0 24.504 49.008 0.269 9.14 4 14.5 1.2
133 0 3 3 24.509 49.018 0.269 9.13 4 82.7 37.8
134 2 3 -1 24.575 49.15 0.27 9.08 4 22.9 2.9
135 1 1 -8 24.616 49.232 0.27 9.04 4 51.1 14.3
136 5 1 -5 24.662 49.325 0.271 9.0 4 147.7 118.9
137 3 2 1 24.694 49.387 0.271 8.98 4 18.9 1.9
138 4 2 -6 24.751 49.502 0.272 8.93 4 17.9 1.7
139 5 1 -6 24.786 49.571 0.272 8.9 4 50.4 13.7
140 0 2 6 24.848 49.696 0.273 8.85 4 49.0 12.9
141 1 3 -4 24.918 49.836 0.273 8.8 4 16.9 1.5
142 1 1 6 24.931 49.862 0.274 8.79 4 15.8 1.3
143 5 1 -4 25.01 50.019 0.274 8.72 4 17.0 1.5
144 1 3 2 25.052 50.105 0.275 8.69 4 42.0 9.3
145 4 2 -2 25.109 50.219 0.275 8.64 4 21.9 2.5
146 3 1 -9 25.115 50.23 0.276 8.64 4 51.0 13.6
147 2 3 -4 25.145 50.29 0.276 8.62 4 14.2 1.0
148 1 2 -7 25.187 50.374 0.276 8.58 4 12.4 0.8
149 5 0 -8 25.237 50.475 0.277 8.54 2 12.3 0.4
150 2 3 0 25.323 50.645 0.278 8.48 4 38.2 7.5
151 5 1 -7 25.374 50.749 0.278 8.44 4 88.5 40.0
152 1 2 5 25.453 50.905 0.279 8.38 4 2.4 0.0
153 4 1 -9 25.799 51.598 0.283 8.13 4 65.7 21.2
154 5 1 -3 25.814 51.628 0.283 8.12 4 25.6 3.2
155 4 2 -7 25.822 51.645 0.283 8.11 4 21.1 2.2
156 2 1 -9 25.87 51.739 0.283 8.08 4 130.5 83.3
157 5 0 -2 25.897 51.794 0.284 8.06 2 107.5 28.2
158 3 1 3 25.908 51.816 0.284 8.05 4 19.8 1.9
159 0 3 4 26.132 52.263 0.286 7.89 4 49.9 11.9
160 3 2 -8 26.177 52.354 0.286 7.86 4 21.4 2.2
161 2 3 -5 26.248 52.496 0.287 7.81 4 97.8 45.2
162 4 2 -1 26.343 52.686 0.288 7.75 4 15.5 1.1
163 5 1 -8 26.406 52.812 0.289 7.71 4 62.6 18.3
164 2 2 -8 26.443 52.885 0.289 7.68 4 74.2 25.6
165 2 1 5 26.475 52.951 0.289 7.66 4 127.8 75.7
166 1 3 -5 26.501 53.003 0.29 7.64 4 35.1 5.7
167 2 3 1 26.506 53.012 0.29 7.64 4 18.6 1.6
168 0 0 8 26.579 53.158 0.29 7.59 2 108.8 27.2
169 3 3 -3 26.626 53.253 0.291 7.56 4 62.4 17.8
170 4 1 1 26.663 53.326 0.291 7.54 4 125.4 71.8
171 1 3 3 26.673 53.345 0.291 7.53 4 50.7 11.7
172 3 3 -4 26.786 53.571 0.293 7.46 4 67.0 20.3
173 3 2 2 26.82 53.641 0.293 7.44 4 58.8 15.6
174 3 0 -10 26.845 53.69 0.293 7.42 2 125.0 35.1
175 3 3 -2 26.913 53.826 0.294 7.38 4 43.4 8.4
176 2 2 4 26.954 53.909 0.294 7.35 4 62.2 17.2
177 4 0 -10 27.037 54.074 0.295 7.3 2 37.4 3.1
178 5 1 -2 27.045 54.091 0.295 7.3 4 0.2 0.0
179 4 2 -8 27.305 54.611 0.298 7.14 4 28.4 3.5
180 3 3 -5 27.385 54.771 0.299 7.09 4 37.4 6.0
181 3 3 -1 27.636 55.272 0.301 6.95 4 96.1 38.8
182 0 1 8 27.707 55.415 0.302 6.91 4 50.0 10.4
183 3 0 4 27.727 55.455 0.302 6.9 2 62.9 8.3
184 2 3 -6 27.757 55.513 0.302 6.88 4 10.9 0.5
185 0 2 7 27.781 55.562 0.303 6.87 4 26.5 2.9
186 5 1 -9 27.846 55.693 0.303 6.83 4 29.1 3.5
187 3 1 -10 27.966 55.932 0.304 6.76 4 0.5 0.0
188 4 2 0 27.972 55.944 0.304 6.76 4 76.0 23.6
189 1 1 -9 27.98 55.961 0.305 6.76 4 68.2 19.0
190 2 0 -10 28.021 56.042 0.305 6.73 2 3.9 0.0
191 4 0 2 28.04 56.08 0.305 6.72 2 65.2 8.6
192 1 2 -8 28.074 56.148 0.305 6.71 4 83.7 28.4
193 2 3 2 28.088 56.175 0.306 6.7 4 34.2 4.7
194 5 2 -5 28.117 56.233 0.306 6.68 4 56.8 13.0
195 0 3 5 28.119 56.239 0.306 6.68 4 84.7 29.0
196 4 1 -10 28.153 56.307 0.306 6.66 4 8.6 0.3
197 5 2 -6 28.229 56.458 0.307 6.62 4 58.8 13.9
198 1 1 7 28.31 56.62 0.308 6.58 4 17.2 1.2
199 1 2 6 28.362 56.724 0.308 6.55 4 106.6 45.1
200 3 3 -6 28.407 56.814 0.309 6.53 4 10.0 0.4
201 5 2 -4 28.434 56.868 0.309 6.51 4 107.5 45.6
202 1 3 -6 28.451 56.902 0.309 6.51 4 28.5 3.2
203 6 0 -6 28.501 57.002 0.31 6.48 2 60.1 7.1
204 3 2 -9 28.53 57.06 0.31 6.46 4 3.2 0.0
205 5 0 -10 28.58 57.16 0.311 6.44 2 91.4 16.3
206 1 3 4 28.655 57.31 0.311 6.4 4 62.6 15.2
207 5 1 -1 28.668 57.335 0.311 6.39 4 134.0 69.5
208 2 0 6 28.677 57.354 0.311 6.39 2 6.5 0.1
209 5 2 -7 28.768 57.536 0.312 6.34 4 8.8 0.3
210 3 3 0 28.774 57.547 0.312 6.34 4 35.1 4.7
211 3 1 4 28.826 57.651 0.313 6.32 4 50.1 9.6
212 6 0 -8 29.107 58.213 0.316 6.18 2 33.6 2.1
213 2 1 -10 29.112 58.224 0.316 6.18 4 13.8 0.7
214 4 1 2 29.13 58.261 0.316 6.17 4 17.1 1.1
215 4 2 -9 29.159 58.317 0.316 6.15 4 38.1 5.4
216 5 2 -3 29.172 58.344 0.316 6.15 4 26.7 2.6
217 2 2 -9 29.224 58.447 0.317 6.12 4 49.9 9.2
218 3 2 3 29.259 58.518 0.317 6.11 4 3.7 0.1
219 6 1 -6 29.581 59.161 0.32 5.96 4 39.7 5.7
220 6 0 -4 29.588 59.175 0.321 5.96 2 63.1 7.2
221 5 0 0 29.588 59.175 0.321 5.96 2 50.8 4.6
222 2 3 -7 29.631 59.262 0.321 5.94 4 37.5 5.0
223 5 1 -10 29.658 59.315 0.321 5.92 4 55.3 10.9
224 6 1 -7 29.67 59.339 0.321 5.92 4 88.9 28.3
225 4 3 -4 29.677 59.354 0.321 5.92 4 23.4 2.0
226 5 2 -8 29.719 59.437 0.322 5.9 4 63.8 14.5
227 2 1 6 29.752 59.505 0.322 5.88 4 15.3 0.8
228 2 2 5 29.783 59.566 0.322 5.87 4 20.7 1.5
229 4 3 -5 29.805 59.611 0.323 5.86 4 58.5 12.2
230 3 3 -7 29.822 59.645 0.323 5.85 4 53.1 10.0
231 6 1 -5 29.908 59.816 0.324 5.81 4 50.2 8.9
232 4 2 1 29.957 59.913 0.324 5.79 4 14.5 0.7
233 4 3 -3 29.964 59.928 0.324 5.79 4 22.3 1.7
234 2 3 3 30.028 60.056 0.325 5.76 4 74.0 19.1
235 6 1 -8 30.173 60.345 0.326 5.7 4 17.6 1.1
236 3 3 1 30.296 60.593 0.327 5.65 4 28.9 2.9
237 5 2 -2 30.312 60.624 0.328 5.64 4 66.6 15.1
238 4 3 -6 30.346 60.693 0.328 5.63 4 7.9 0.2
239 0 4 0 30.388 60.775 0.328 5.61 2 124.3 26.2
240 0 3 6 30.431 60.862 0.329 5.59 4 27.9 2.6
241 1 0 -10 30.461 60.923 0.329 5.58 2 26.1 1.2
242 0 4 1 30.593 61.185 0.33 5.53 4 27.8 2.6
243 6 1 -4 30.643 61.287 0.331 5.51 4 18.8 1.2
244 5 1 0 30.643 61.287 0.331 5.51 4 23.0 1.8
245 4 3 -2 30.66 61.319 0.331 5.5 4 22.1 1.6
246 1 3 -7 30.727 61.455 0.332 5.47 4 44.4 6.5
247 4 1 -11 30.794 61.588 0.332 5.45 4 20.9 1.4
248 1 4 -1 30.801 61.602 0.332 5.44 4 33.6 3.7
249 1 0 8 30.813 61.626 0.332 5.44 2 13.4 0.3
250 0 2 8 30.929 61.857 0.334 5.39 4 31.8 3.3
251 1 3 5 30.961 61.922 0.334 5.38 4 60.3 11.8
252 1 4 -2 30.985 61.97 0.334 5.37 4 0.9 0.0
253 1 4 0 31.024 62.048 0.335 5.36 4 101.7 33.5
254 3 1 -11 31.044 62.087 0.335 5.35 4 54.7 9.7
255 5 2 -9 31.058 62.117 0.335 5.35 4 46.0 6.8
256 6 1 -9 31.078 62.155 0.335 5.34 4 21.9 1.6
257 3 2 -10 31.17 62.34 0.336 5.3 4 101.8 33.3
258 1 2 -9 31.184 62.367 0.336 5.3 4 71.8 16.5
259 0 4 2 31.203 62.405 0.336 5.29 4 57.9 10.7
260 0 1 9 31.265 62.531 0.337 5.27 4 54.3 9.4
261 4 3 -7 31.287 62.574 0.337 5.26 4 70.6 15.9
262 6 0 -10 31.343 62.686 0.338 5.24 2 109.1 18.9
263 4 2 -10 31.345 62.691 0.338 5.24 4 9.4 0.3
264 1 2 7 31.492 62.984 0.339 5.18 4 3.3 0.0
265 1 1 -10 31.5 62.999 0.339 5.18 4 49.6 7.7
266 1 4 -3 31.572 63.144 0.34 5.16 4 7.9 0.2
267 3 3 -8 31.601 63.202 0.34 5.15 4 33.5 3.5
268 1 4 1 31.648 63.297 0.341 5.13 4 33.4 3.5
269 4 3 -1 31.748 63.496 0.342 5.09 4 83.1 21.3
270 6 1 -3 31.77 63.541 0.342 5.09 4 29.2 2.6
271 5 1 -11 31.805 63.609 0.342 5.07 4 4.6 0.1
272 5 2 -1 31.828 63.656 0.342 5.07 4 26.6 2.2
273 2 3 -8 31.837 63.673 0.342 5.06 4 6.1 0.1
274 1 1 8 31.844 63.689 0.342 5.06 4 10.4 0.3
275 4 1 3 31.873 63.747 0.343 5.05 4 2.7 0.0
276 3 1 5 31.966 63.932 0.344 5.02 4 68.7 14.3
277 3 2 4 31.976 63.953 0.344 5.01 4 107.7 35.2
278 2 4 -2 32.023 64.047 0.344 5.0 4 9.8 0.3
279 3 3 2 32.174 64.347 0.346 4.95 4 23.4 1.6
280 2 4 -3 32.184 64.369 0.346 4.94 4 24.0 1.7
281 0 4 3 32.205 64.41 0.346 4.94 4 11.3 0.4
282 2 2 -10 32.246 64.492 0.346 4.92 4 18.6 1.0
283 2 4 -1 32.26 64.521 0.346 4.92 4 8.7 0.2
284 6 0 -2 32.261 64.522 0.346 4.92 2 95.4 13.6
285 4 2 2 32.263 64.526 0.347 4.92 4 67.4 13.5
286 2 3 4 32.293 64.587 0.347 4.91 4 26.2 2.0
287 6 1 -10 32.365 64.731 0.347 4.88 4 16.3 0.8
288 2 1 -11 32.537 65.075 0.349 4.83 4 38.5 4.3
289 1 4 -4 32.549 65.098 0.349 4.83 4 62.6 11.5
290 4 3 -8 32.608 65.216 0.35 4.81 4 9.8 0.3
291 1 4 2 32.662 65.324 0.35 4.79 4 81.7 19.3
292 6 2 -6 32.688 65.376 0.351 4.78 4 66.0 12.6
293 4 0 -12 32.698 65.396 0.351 4.78 2 123.5 22.1
294 2 4 -4 32.74 65.48 0.351 4.76 4 41.5 5.0
295 5 2 -10 32.761 65.521 0.351 4.76 4 74.5 16.0
296 6 2 -7 32.772 65.544 0.351 4.75 4 2.2 0.0
297 2 2 6 32.85 65.7 0.352 4.73 4 2.7 0.0
298 2 4 0 32.891 65.781 0.352 4.72 4 106.9 32.6
299 5 1 1 32.941 65.882 0.353 4.7 4 48.6 6.7
300 6 2 -5 32.997 65.994 0.354 4.69 4 27.0 2.1
301 0 3 7 33.036 66.072 0.354 4.67 4 3.7 0.0
302 4 3 0 33.209 66.417 0.356 4.62 4 65.9 12.1
303 2 1 7 33.214 66.427 0.356 4.62 4 78.6 17.3
304 6 2 -8 33.248 66.496 0.356 4.61 4 137.8 53.0
305 6 1 -2 33.268 66.535 0.356 4.6 4 11.0 0.3
306 5 0 -12 33.269 66.538 0.356 4.6 2 42.0 2.5
307 1 3 -8 33.301 66.602 0.356 4.6 4 49.4 6.8
308 5 3 -5 33.339 66.679 0.357 4.58 4 59.5 9.8
309 3 0 -12 33.35 66.7 0.357 4.58 2 137.7 26.3
310 5 3 -6 33.441 66.882 0.358 4.55 4 25.4 1.8
311 1 3 6 33.562 67.123 0.359 4.52 4 22.7 1.4
312 0 4 4 33.581 67.161 0.359 4.51 4 33.7 3.1
313 5 3 -4 33.627 67.254 0.359 4.5 4 1.2 0.0
314 2 4 -5 33.681 67.361 0.36 4.49 4 36.8 3.7
315 6 2 -4 33.695 67.389 0.36 4.48 4 86.6 20.3
316 5 2 0 33.695 67.389 0.36 4.48 4 37.4 3.8
317 4 1 -12 33.698 67.396 0.36 4.48 4 22.4 1.4
318 3 3 -9 33.715 67.429 0.36 4.48 4 62.1 10.4
319 4 2 -11 33.838 67.675 0.361 4.44 4 23.3 1.5
320 7 0 -8 33.892 67.784 0.362 4.43 2 71.4 6.8
321 4 0 4 33.892 67.785 0.362 4.43 2 75.7 7.7
322 1 4 -5 33.899 67.798 0.362 4.43 4 37.0 3.7
323 2 4 1 33.903 67.806 0.362 4.43 4 3.7 0.0
324 5 3 -7 33.931 67.862 0.362 4.42 4 67.0 12.0
325 0 0 10 34.006 68.013 0.363 4.4 2 63.9 5.4
326 3 4 -3 34.007 68.013 0.363 4.4 4 16.2 0.7
327 6 1 -11 34.014 68.028 0.363 4.4 4 69.8 12.9
328 1 4 3 34.047 68.093 0.363 4.39 4 24.2 1.6
329 3 2 -11 34.075 68.15 0.364 4.38 4 11.3 0.3
330 6 2 -9 34.107 68.215 0.364 4.37 4 2.0 0.0
331 3 4 -4 34.144 68.289 0.364 4.36 4 29.8 2.3
332 7 0 -6 34.151 68.301 0.364 4.36 2 46.3 2.8
333 3 4 -2 34.255 68.51 0.365 4.33 4 26.2 1.8
334 5 1 -12 34.261 68.522 0.365 4.33 4 28.3 2.1
335 0 2 9 34.286 68.573 0.366 4.32 4 4.6 0.1
336 4 3 -9 34.287 68.574 0.366 4.32 4 86.9 19.8
337 5 3 -3 34.3 68.599 0.366 4.32 4 3.7 0.0
338 3 1 -12 34.34 68.681 0.366 4.31 4 17.1 0.8
339 2 3 -9 34.347 68.694 0.366 4.31 4 119.6 37.3
340 3 0 6 34.349 68.699 0.366 4.31 2 26.3 0.9
341 3 3 3 34.379 68.758 0.367 4.3 4 25.6 1.7
342 1 2 -10 34.51 69.02 0.368 4.27 4 8.5 0.2
343 5 0 2 34.564 69.127 0.368 4.25 2 69.3 6.2
344 3 4 -5 34.666 69.332 0.369 4.23 4 22.2 1.3
345 6 2 -3 34.768 69.537 0.37 4.2 4 12.9 0.4
346 5 3 -8 34.801 69.601 0.37 4.19 4 7.3 0.1
347 5 2 -11 34.801 69.602 0.37 4.19 4 14.4 0.5
348 7 1 -7 34.812 69.624 0.371 4.19 4 42.3 4.5
349 1 2 8 34.839 69.678 0.371 4.18 4 114.1 33.0
350 2 3 5 34.86 69.719 0.371 4.18 4 82.9 17.4
351 4 2 3 34.867 69.734 0.371 4.18 4 6.4 0.1
352 7 1 -8 34.875 69.751 0.371 4.17 4 15.8 0.6
353 4 1 4 34.875 69.751 0.371 4.17 4 35.8 3.2
354 3 4 -1 34.885 69.771 0.371 4.17 4 1.6 0.0
355 3 2 5 34.956 69.911 0.372 4.16 4 31.2 2.4
356 0 1 10 34.988 69.976 0.372 4.15 4 16.1 0.6
357 2 4 -6 34.991 69.982 0.372 4.15 4 12.6 0.4
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 -2 5.49 10.981 8.05088 24.1 2.8 2.8 5.6
2 1 0 0 5.667 11.335 7.80023 176.8 20.9 20.9 5.6
3 0 0 2 6.422 12.845 6.88627 847.4 100.0 100.0 5.6
4 0 1 1 7.948 15.896 5.57054 43.1 5.1 5.1 5.6
5 1 1 -1 8.592 17.183 5.15615 381.9 45.1 45.0 5.6
6 2 0 -2 9.152 18.304 4.84276 17.6 2.1 2.1 5.6
7 1 1 0 9.233 18.466 4.80073 18.8 2.2 2.2 5.6
8 0 1 2 9.72 19.44 4.56237 45.1 5.3 5.3 5.6
9 1 0 -4 10.559 21.118 4.20345 87.2 10.3 10.2 5.6
10 1 1 -3 10.662 21.324 4.16326 539.3 63.6 63.3 5.6
11 1 0 2 10.841 21.681 4.09552 198.0 23.4 23.2 5.6
12 2 0 -4 11.032 22.064 4.02544 15.0 1.8 1.8 5.6
13 2 0 0 11.391 22.782 3.90011 40.2 4.7 4.7 5.6
14 2 1 -2 11.724 23.449 3.79066 26.3 3.1 3.1 5.6
15 2 1 -3 12.084 24.167 3.6796 172.1 20.3 20.2 5.6
16 0 1 3 12.129 24.257 3.66614 362.3 42.8 42.4 5.6
17 2 1 -1 12.25 24.5 3.63041 59.2 7.0 6.9 5.6
18 0 0 4 12.927 25.855 3.44313 121.7 14.4 14.2 5.6
19 1 1 2 13.099 26.199 3.39867 35.6 4.2 4.2 5.6
20 2 1 -4 13.26 26.519 3.35831 66.1 7.8 7.7 5.6
21 3 0 -4 14.077 28.153 3.16703 9.8 1.2 1.1 5.6
22 3 0 -2 14.293 28.586 3.12009 70.0 8.3 8.2 5.6
23 0 1 4 14.891 29.782 2.99738 163.7 19.3 19.1 5.6
24 0 2 1 15.013 30.025 2.97366 29.9 3.5 3.5 5.6
25 1 2 -1 15.375 30.75 2.90526 82.3 9.7 9.6 5.6
26 1 1 -5 15.473 30.945 2.88735 202.9 23.9 23.6 5.6
27 1 2 -2 15.689 31.378 2.84851 256.6 30.3 29.9 5.6
28 1 1 3 15.737 31.474 2.84004 114.5 13.5 13.3 5.6
29 3 1 -2 16.104 32.208 2.77696 29.1 3.4 3.4 5.6
30 3 0 -6 16.68 33.36 2.68363 39.9 4.7 4.6 5.7
31 1 0 -6 16.747 33.495 2.67318 75.1 8.9 8.7 5.7
32 1 2 1 16.786 33.572 2.66718 37.9 4.5 4.4 5.7
33 1 0 4 17.055 34.11 2.62633 23.4 2.8 2.7 5.7
34 3 1 -1 17.178 34.355 2.60817 80.4 9.5 9.3 5.7
35 3 0 0 17.233 34.465 2.60008 81.0 9.6 9.4 5.7
36 2 1 -6 17.352 34.704 2.58272 12.2 1.4 1.4 5.7
37 2 2 -1 17.755 35.511 2.52591 97.7 11.5 11.3 5.7
38 0 1 5 17.873 35.746 2.5098 133.5 15.8 15.5 5.7
39 3 1 -6 18.28 36.559 2.45583 65.4 7.7 7.6 5.7
40 1 2 2 18.372 36.744 2.44387 20.7 2.4 2.4 5.7
41 2 2 -4 18.491 36.982 2.42873 191.6 22.6 22.2 5.7
42 4 0 -4 18.549 37.098 2.42138 97.4 11.5 11.3 5.7
43 1 1 4 18.626 37.253 2.41169 9.7 1.1 1.1 5.7
44 2 2 0 18.717 37.435 2.40036 30.6 3.6 3.5 5.7
45 3 1 0 18.791 37.582 2.39132 48.5 5.7 5.6 5.7
46 0 2 4 19.735 39.47 2.28118 14.5 1.7 1.7 5.7
47 4 0 -2 19.922 39.843 2.26064 89.9 10.6 10.4 5.7
48 2 1 -7 19.958 39.915 2.25673 70.8 8.4 8.2 5.7
49 3 1 -7 20.213 40.426 2.22939 44.4 5.2 5.1 5.7
50 1 2 3 20.403 40.806 2.20948 43.0 5.1 5.0 5.7
51 3 2 -4 20.542 41.084 2.1952 22.7 2.7 2.6 5.7
52 3 1 1 20.839 41.678 2.16529 16.5 1.9 1.9 5.7
53 0 1 6 21.015 42.03 2.14796 12.2 1.4 1.4 5.7
54 3 0 -8 21.189 42.378 2.13113 63.2 7.5 7.3 5.7
55 2 2 -6 21.718 43.436 2.08163 264.1 31.2 30.4 5.7
56 3 0 2 21.94 43.881 2.06155 146.1 17.2 16.8 5.7
57 4 1 -7 22.117 44.235 2.04587 75.7 8.9 8.7 5.7
58 3 2 -6 22.493 44.985 2.01346 61.5 7.3 7.1 5.7
59 1 2 -6 22.545 45.09 2.00904 183.4 21.6 21.1 5.7
60 4 1 -1 22.7 45.401 1.99599 40.3 4.8 4.6 5.7
61 1 3 -1 22.807 45.614 1.98714 112.1 13.2 12.9 5.7
62 3 2 0 22.925 45.851 1.97744 12.0 1.4 1.4 5.7
63 1 3 0 23.081 46.161 1.96486 12.6 1.5 1.5 5.7
64 1 3 -3 23.748 47.495 1.91276 88.3 10.4 10.1 5.7
65 4 2 -4 23.979 47.959 1.89533 89.6 10.6 10.3 5.7
66 0 3 3 24.509 49.018 1.85685 49.5 5.8 5.7 5.7
67 1 1 -8 24.616 49.232 1.84927 14.3 1.7 1.6 5.7
68 5 1 -5 24.662 49.325 1.846 118.9 14.0 13.6 5.7
69 5 1 -6 24.786 49.571 1.8374 13.7 1.6 1.6 5.7
70 0 2 6 24.848 49.696 1.83307 12.9 1.5 1.5 5.7
71 1 3 2 25.052 50.105 1.81907 9.3 1.1 1.1 5.7
72 3 1 -9 25.115 50.23 1.81484 16.1 1.9 1.8 5.8
73 5 1 -7 25.374 50.749 1.7975 40.0 4.7 4.6 5.8
74 4 1 -9 25.799 51.598 1.76988 26.6 3.1 3.0 5.8
75 2 1 -9 25.87 51.739 1.76538 111.5 13.2 12.7 5.8
76 0 3 4 26.132 52.263 1.74891 11.9 1.4 1.4 5.8
77 2 3 -5 26.248 52.496 1.7417 45.2 5.3 5.2 5.8
78 5 1 -8 26.406 52.812 1.73203 18.3 2.2 2.1 5.8
79 2 2 -8 26.443 52.885 1.7298 25.6 3.0 2.9 5.8
80 2 1 5 26.475 52.951 1.72781 81.4 9.6 9.3 5.8
81 0 0 8 26.579 53.158 1.72157 27.2 3.2 3.1 5.8
82 3 3 -3 26.626 53.253 1.71872 17.8 2.1 2.0 5.8
83 4 1 1 26.663 53.326 1.71654 83.5 9.9 9.5 5.8
84 3 3 -4 26.786 53.571 1.70925 20.3 2.4 2.3 5.8
85 3 0 -10 26.845 53.69 1.70576 50.7 6.0 5.8 5.8
86 2 2 4 26.954 53.909 1.69934 17.2 2.0 2.0 5.8
87 3 3 -1 27.636 55.272 1.6606 38.8 4.6 4.4 5.8
88 0 1 8 27.707 55.415 1.65667 18.7 2.2 2.1 5.8
89 4 2 0 27.972 55.944 1.64225 42.6 5.0 4.8 5.8
90 4 0 2 28.04 56.08 1.6386 8.6 1.0 1.0 5.8
91 1 2 -8 28.074 56.148 1.63676 33.2 3.9 3.8 5.8
92 0 3 5 28.119 56.239 1.63433 42.0 5.0 4.8 5.8
93 5 2 -6 28.229 56.458 1.62851 13.9 1.6 1.6 5.8
94 1 2 6 28.362 56.724 1.62151 45.1 5.3 5.1 5.8
95 5 2 -4 28.434 56.868 1.61774 48.8 5.8 5.5 5.8
96 5 0 -10 28.58 57.16 1.61018 16.3 1.9 1.8 5.8
97 5 1 -1 28.668 57.335 1.60566 84.8 10.0 9.6 5.8
98 3 1 4 28.826 57.651 1.5976 9.6 1.1 1.1 5.8
99 2 2 -9 29.224 58.447 1.57773 9.2 1.1 1.0 5.8
100 6 0 -4 29.588 59.175 1.56005 17.5 2.1 2.0 5.8
101 6 1 -7 29.67 59.339 1.55613 46.3 5.5 5.2 5.8
102 5 2 -8 29.719 59.437 1.55379 14.5 1.7 1.6 5.8
103 4 3 -5 29.805 59.611 1.54969 23.6 2.8 2.7 5.8
104 6 1 -5 29.908 59.816 1.54486 8.9 1.0 1.0 5.8
105 2 3 3 30.028 60.056 1.53926 19.1 2.3 2.2 5.8
106 5 2 -2 30.312 60.624 1.5262 18.0 2.1 2.0 5.8
107 0 4 0 30.388 60.775 1.52275 26.2 3.1 3.0 5.8
108 1 3 5 30.961 61.922 1.49728 11.8 1.4 1.3 5.8
109 1 4 0 31.024 62.048 1.49454 43.2 5.1 4.9 5.8
110 3 2 -10 31.17 62.34 1.48823 49.8 5.9 5.6 5.8
111 0 4 2 31.203 62.405 1.48683 10.7 1.3 1.2 5.8
112 4 3 -7 31.287 62.574 1.48324 25.3 3.0 2.8 5.8
113 6 0 -10 31.343 62.686 1.48084 19.1 2.3 2.2 5.8
114 4 3 -1 31.748 63.496 1.4639 23.9 2.8 2.7 5.9
115 3 2 4 31.976 63.953 1.45454 49.6 5.8 5.6 5.9
116 4 2 2 32.263 64.526 1.44299 28.3 3.3 3.2 5.9
117 1 4 -4 32.549 65.098 1.4317 15.8 1.9 1.8 5.9
118 1 4 2 32.662 65.324 1.42729 31.9 3.8 3.6 5.9
119 4 0 -12 32.698 65.396 1.42589 22.1 2.6 2.5 5.9
120 5 2 -10 32.761 65.521 1.42347 21.0 2.5 2.3 5.9
121 2 4 0 32.891 65.781 1.41847 32.6 3.8 3.6 5.9
122 2 1 7 33.214 66.427 1.40624 29.4 3.5 3.3 5.9
123 6 2 -8 33.248 66.496 1.40495 55.8 6.6 6.2 5.9
124 3 0 -12 33.35 66.7 1.40115 36.1 4.3 4.0 5.9
125 5 2 0 33.695 67.389 1.38848 39.6 4.7 4.4 5.9
126 4 0 4 33.892 67.785 1.38134 18.2 2.1 2.0 5.9
127 5 3 -7 33.931 67.862 1.37996 12.0 1.4 1.3 5.9
128 6 1 -11 34.014 68.028 1.37699 19.1 2.3 2.1 5.9
129 4 3 -9 34.287 68.574 1.36734 23.7 2.8 2.6 5.9
130 2 3 -9 34.347 68.694 1.36526 38.2 4.5 4.2 5.9
131 1 2 8 34.839 69.678 1.34835 58.8 6.9 6.5 5.9
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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