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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LANGBEINITE
19, analogue, at 293'K
Rb(2)Yb(0.32)Ti(1.68)[PO(4)](3)
Cubic P 2(1)3 Z = 4
R =0.044 NR =766
25 .3 .1905
Ref.Str.:
J.C.M. Gustafsson, S.T. Norberg, G. Svensson, J. Albertsson (2005)
* Acta Cryst., C 61, 9-13
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2132 alpha = 90.0
b = 10.2132 beta = 90.0
c = 10.2132 gamma = 90.0
Unit cell volume (cub. angs.) = 1065.33
Molar volume ( cub.cm/mol.) = 160.42
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.57 0.43 0.93 0.0 Rb = 1.00
2 0.7923 0.2077 0.7077 0.0 Rb = 1.00
3 0.9165 0.4166 0.0834 0.0 Ti = 0.8 , Yb = 0.2
4 0.6471 0.1471 0.3529 0.0 Ti = 0.88, Yb = 0.12
5 0.7354 0.1214 0.0408 0.0 P = 1.00
6 0.5962 0.1475 0.9952 0.0 O = 1.00
7 0.8172 0.242 0.0208 0.0 O = 1.00
8 0.7368 0.0807 0.1856 0.0 O = 1.00
9 0.7958 0.0116 0.961 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.57 0.43 0.93
2 2 0.7923 0.2077 0.7077
3 3 0.9165 0.4166 0.0834
4 4 0.6471 0.1471 0.3529
5 5 0.7354 0.1214 0.0408
6 6 0.5962 0.1475 0.9952
7 7 0.8172 0.242 0.0208
8 8 0.7368 0.0807 0.1856
9 9 0.7958 0.0116 0.961
10 1 0.93 0.57 0.43
11 2 0.7077 0.7923 0.2077
12 3 0.5835 0.5834 0.5835
13 4 0.8529 0.8529 0.8529
14 5 0.7646 0.8786 0.5408
15 6 0.9038 0.8525 0.4952
16 7 0.6828 0.758 0.5208
17 8 0.7632 0.9193 0.6856
18 9 0.7042 0.9884 0.461
19 1 0.43 0.93 0.57
20 2 0.2077 0.7077 0.7923
21 3 0.0835 0.9166 0.4166
22 4 0.3529 0.6471 0.1471
23 5 0.2646 0.6214 0.4592
24 6 0.4038 0.6475 0.5048
25 7 0.1828 0.742 0.4792
26 8 0.2632 0.5807 0.3144
27 9 0.2042 0.5116 0.539
28 1 0.07 0.07 0.07
29 2 0.2923 0.2923 0.2923
30 3 0.4165 0.0834 0.9165
31 4 0.1471 0.3529 0.6471
32 5 0.2354 0.3786 0.9592
33 6 0.0962 0.3525 0.0048
34 7 0.3172 0.258 0.9792
35 8 0.2368 0.4193 0.8144
36 9 0.2958 0.4884 0.039
37 5 0.1214 0.0408 0.7354
38 5 0.0408 0.7354 0.1214
39 6 0.1475 0.9952 0.5962
40 6 0.9952 0.5962 0.1475
41 7 0.242 0.0208 0.8172
42 7 0.0208 0.8172 0.242
43 8 0.0807 0.1856 0.7368
44 8 0.1856 0.7368 0.0807
45 9 0.0116 0.961 0.7958
46 9 0.961 0.7958 0.0116
47 5 0.8786 0.5408 0.7646
48 5 0.5408 0.7646 0.8786
49 6 0.8525 0.4952 0.9038
50 6 0.4952 0.9038 0.8525
51 7 0.758 0.5208 0.6828
52 7 0.5208 0.6828 0.758
53 8 0.9193 0.6856 0.7632
54 8 0.6856 0.7632 0.9193
55 9 0.9884 0.461 0.7042
56 9 0.461 0.7042 0.9884
57 5 0.6214 0.4592 0.2646
58 5 0.4592 0.2646 0.6214
59 6 0.6475 0.5048 0.4038
60 6 0.5048 0.4038 0.6475
61 7 0.742 0.4792 0.1828
62 7 0.4792 0.1828 0.742
63 8 0.5807 0.3144 0.2632
64 8 0.3144 0.2632 0.5807
65 9 0.5116 0.539 0.2042
66 9 0.539 0.2042 0.5116
67 5 0.3786 0.9592 0.2354
68 5 0.9592 0.2354 0.3786
69 6 0.3525 0.0048 0.0962
70 6 0.0048 0.0962 0.3525
71 7 0.258 0.9792 0.3172
72 7 0.9792 0.3172 0.258
73 8 0.4193 0.8144 0.2368
74 8 0.8144 0.2368 0.4193
75 9 0.4884 0.039 0.2958
76 9 0.039 0.2958 0.4884
X-ray density (g/cm cub.) = 3.68
MU (1/cm) = 335.126 Mass attenuation coefficient (cm**2/g) = 90.968
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Rb 3.42 12
2.9734 6
3.305 7
3.1629 7
3.0716 9
2.9734 6
3.305 7
3.1629 7
3.0716 9
2.9734 6
3.1629 7
3.305 7
3.0716 9
2 Rb 3.42 9
3.2265 7
3.2718 9
2.9694 8
2.9694 8
3.2265 7
3.2718 9
3.2265 7
3.2718 9
2.9694 8
3 Ti ,Yb 2.604 6
2.1487 7
2.107 6
2.107 6
2.107 6
2.1487 7
2.1487 7
4 Ti ,Yb 2.604 6
2.0539 8
2.0461 9
2.0539 8
2.0461 9
2.0539 8
2.0461 9
5 P 2.232 4
1.5196 6
1.5023 7
1.5362 8
1.5173 9
6 O 3.264 8
2.4687 7
2.5118 8
2.4908 9
3.0692 7
3.0632 6
2.8714 7
3.2284 8
3.0632 6
7 O 3.264 7
2.4687 6
2.4942 8
2.4409 9
3.0692 6
2.8714 6
3.0325 7
3.0325 7
8 O 3.264 8
2.5118 6
2.4942 7
2.4745 9
2.9851 9
2.9777 8
3.2284 6
2.9777 8
2.8079 9
9 O 3.264 7
2.4908 6
2.4409 7
2.4745 8
2.9851 8
2.8234 9
2.8234 9
2.8079 8
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 6.123 12.246 0.069 172.83 12 8.0 11.6
2 1 1 1 7.506 15.012 0.085 114.25 8 18.3 26.9
3 2 0 0 8.676 17.351 0.098 84.96 6 2.4 0.3
4 1 2 0 9.709 19.418 0.109 67.4 12 29.4 61.7
5 2 1 0 9.709 19.418 0.109 67.4 12 7.6 4.2
6 1 1 2 10.646 21.292 0.12 55.7 24 68.5 551.9
7 2 2 0 12.317 24.634 0.138 41.08 12 85.5 317.7
8 2 2 1 13.077 26.154 0.147 36.21 24 31.7 77.2
9 1 3 0 13.798 27.596 0.155 32.32 12 254.3 2209.1
10 3 1 0 13.798 27.596 0.155 32.32 12 288.2 2837.5
11 1 1 3 14.486 28.972 0.162 29.14 24 135.9 1138.8
12 2 2 2 15.145 30.29 0.17 26.49 8 52.7 51.9
13 2 3 0 15.779 31.558 0.177 24.26 12 164.6 694.8
14 3 2 0 15.779 31.558 0.177 24.26 12 47.5 57.9
15 1 2 3 16.391 32.783 0.183 22.34 24 138.5 905.9
16 3 2 1 16.391 32.783 0.183 22.34 24 203.6 1958.0
17 4 0 0 17.559 35.117 0.196 19.24 6 18.0 3.3
18 1 4 0 18.117 36.235 0.202 17.96 12 66.1 83.0
19 2 2 3 18.117 36.235 0.202 17.96 24 64.7 159.0
20 4 1 0 18.117 36.235 0.202 17.96 12 105.7 212.2
21 1 1 4 18.662 37.323 0.208 16.83 24 33.0 38.7
22 3 3 0 18.662 37.323 0.208 16.83 12 6.9 0.8
23 3 3 1 19.193 38.386 0.213 15.82 24 88.4 261.5
24 2 4 0 19.712 39.424 0.219 14.91 12 56.5 50.4
25 4 2 0 19.712 39.424 0.219 14.91 12 79.9 100.6
26 1 2 4 20.22 40.439 0.224 14.09 24 25.9 20.1
27 4 2 1 20.22 40.439 0.224 14.09 24 53.9 86.4
28 3 3 2 20.717 41.434 0.23 13.35 24 99.2 278.0
29 2 2 4 21.684 43.367 0.24 12.05 24 176.8 796.5
30 3 4 0 22.154 44.308 0.245 11.48 12 61.1 45.3
31 4 3 0 22.154 44.308 0.245 11.48 12 81.2 80.0
32 1 3 4 22.617 45.234 0.25 10.96 24 165.0 631.0
33 1 5 0 22.617 45.234 0.25 10.96 12 100.6 117.4
34 4 3 1 22.617 45.234 0.25 10.96 24 116.9 316.6
35 5 1 0 22.617 45.234 0.25 10.96 12 95.7 106.1
36 1 1 5 23.072 46.145 0.254 10.47 24 31.9 22.6
37 3 3 3 23.072 46.145 0.254 10.47 8 72.1 38.4
38 2 3 4 23.963 47.926 0.264 9.61 24 29.4 17.5
39 2 5 0 23.963 47.926 0.264 9.61 12 90.7 83.7
40 4 3 2 23.963 47.926 0.264 9.61 24 136.5 379.0
41 5 2 0 23.963 47.926 0.264 9.61 12 47.7 23.1
42 1 2 5 24.399 48.799 0.268 9.23 24 59.9 70.0
43 5 2 1 24.399 48.799 0.268 9.23 24 27.4 14.7
44 4 4 0 25.255 50.509 0.277 8.53 12 71.4 45.9
45 2 2 5 25.674 51.349 0.281 8.22 24 20.3 7.2
46 4 4 1 25.674 51.349 0.281 8.22 24 141.6 348.4
47 3 3 4 26.089 52.179 0.285 7.92 24 42.0 29.6
48 3 5 0 26.089 52.179 0.285 7.92 12 84.0 59.1
49 5 3 0 26.089 52.179 0.285 7.92 12 21.8 4.0
50 1 3 5 26.5 52.999 0.29 7.65 24 19.1 5.9
51 5 3 1 26.5 52.999 0.29 7.65 24 44.1 31.5
52 4 4 2 26.905 53.811 0.294 7.39 24 61.6 59.3
53 6 0 0 26.905 53.811 0.294 7.39 6 123.1 59.1
54 1 6 0 27.307 54.615 0.298 7.14 12 119.0 106.8
55 6 1 0 27.307 54.615 0.298 7.14 12 159.5 192.1
56 1 1 6 27.705 55.41 0.302 6.91 24 148.5 322.3
57 2 3 5 27.705 55.41 0.302 6.91 24 169.1 418.0
58 5 3 2 27.705 55.41 0.302 6.91 24 156.3 356.8
59 2 6 0 28.49 56.979 0.31 6.49 12 109.0 81.4
60 6 2 0 28.49 56.979 0.31 6.49 12 123.4 104.3
61 1 2 6 28.877 57.753 0.313 6.29 24 131.0 228.5
62 4 4 3 28.877 57.753 0.313 6.29 24 68.3 62.1
63 4 5 0 28.877 57.753 0.313 6.29 12 99.3 65.6
64 5 4 0 28.877 57.753 0.313 6.29 12 97.5 63.3
65 6 2 1 28.877 57.753 0.313 6.29 24 54.1 38.9
66 1 4 5 29.26 58.521 0.317 6.11 24 157.6 320.9
67 5 4 1 29.26 58.521 0.317 6.11 24 87.8 99.5
68 3 3 5 29.641 59.282 0.321 5.93 24 82.4 85.2
69 2 2 6 30.019 60.037 0.325 5.77 24 82.5 83.1
70 2 4 5 30.393 60.787 0.328 5.61 24 55.2 36.1
71 3 6 0 30.393 60.787 0.328 5.61 12 173.0 177.4
72 5 4 2 30.393 60.787 0.328 5.61 24 98.3 114.7
73 6 3 0 30.393 60.787 0.328 5.61 12 131.1 101.8
74 1 3 6 30.765 61.531 0.332 5.46 24 30.0 10.4
75 6 3 1 30.765 61.531 0.332 5.46 24 190.5 418.8
76 4 4 4 31.502 63.004 0.339 5.18 8 211.7 163.7
77 2 3 6 31.866 63.733 0.343 5.05 24 87.6 81.9
78 6 3 2 31.866 63.733 0.343 5.05 24 53.1 30.1
79 1 7 0 32.229 64.457 0.346 4.93 12 29.1 4.4
80 3 4 5 32.229 64.457 0.346 4.93 24 65.5 44.7
81 5 4 3 32.229 64.457 0.346 4.93 24 87.4 79.7
82 5 5 0 32.229 64.457 0.346 4.93 12 87.5 39.9
83 7 1 0 32.229 64.457 0.346 4.93 12 42.8 9.6
84 1 1 7 32.589 65.178 0.35 4.81 24 16.4 2.7
85 5 5 1 32.589 65.178 0.35 4.81 24 22.0 4.9
86 4 6 0 32.947 65.894 0.353 4.7 12 27.1 3.6
87 6 4 0 32.947 65.894 0.353 4.7 12 74.9 27.9
88 1 4 6 33.303 66.606 0.356 4.59 24 7.9 0.6
89 2 7 0 33.303 66.606 0.356 4.59 12 96.3 45.1
90 6 4 1 33.303 66.606 0.356 4.59 24 16.1 2.5
91 7 2 0 33.303 66.606 0.356 4.59 12 90.1 39.5
92 1 2 7 33.657 67.314 0.36 4.49 24 49.0 22.8
93 3 3 6 33.657 67.314 0.36 4.49 24 79.3 59.8
94 5 5 2 33.657 67.314 0.36 4.49 24 71.6 48.7
95 7 2 1 33.657 67.314 0.36 4.49 24 130.4 161.6
96 2 4 6 34.36 68.72 0.366 4.3 24 78.8 56.5
97 6 4 2 34.36 68.72 0.366 4.3 24 103.3 97.2
98 2 2 7 34.709 69.418 0.37 4.22 24 60.0 32.1
99 4 4 5 34.709 69.418 0.37 4.22 24 62.2 34.5
100 3 7 0 35.056 70.113 0.373 4.13 12 221.9 215.1
101 7 3 0 35.056 70.113 0.373 4.13 12 8.2 0.3
102 1 3 7 35.402 70.804 0.376 4.05 24 66.3 37.7
103 5 5 3 35.402 70.804 0.376 4.05 24 65.4 36.7
104 7 3 1 35.402 70.804 0.376 4.05 24 130.9 146.8
105 3 4 6 36.09 72.179 0.382 3.9 24 32.9 8.9
106 5 6 0 36.09 72.179 0.382 3.9 12 22.8 2.1
107 6 4 3 36.09 72.179 0.382 3.9 24 66.5 36.5
108 6 5 0 36.09 72.179 0.382 3.9 12 22.3 2.1
109 1 5 6 36.431 72.863 0.385 3.83 24 121.3 119.2
110 2 3 7 36.431 72.863 0.385 3.83 24 16.2 2.1
111 6 5 1 36.431 72.863 0.385 3.83 24 79.9 51.7
112 7 3 2 36.431 72.863 0.385 3.83 24 67.0 36.4
113 8 0 0 37.111 74.222 0.392 3.7 6 81.6 13.0
114 1 8 0 37.449 74.898 0.395 3.64 12 57.6 12.8
115 2 5 6 37.449 74.898 0.395 3.64 24 91.9 65.0
116 4 7 0 37.449 74.898 0.395 3.64 12 74.3 21.2
117 6 5 2 37.449 74.898 0.395 3.64 24 45.6 16.0
118 7 4 0 37.449 74.898 0.395 3.64 12 101.8 39.8
119 8 1 0 37.449 74.898 0.395 3.64 12 57.8 12.8
120 1 1 8 37.786 75.572 0.398 3.58 24 41.9 13.3
121 1 4 7 37.786 75.572 0.398 3.58 24 7.1 0.4
122 5 5 4 37.786 75.572 0.398 3.58 24 95.3 68.7
123 7 4 1 37.786 75.572 0.398 3.58 24 79.7 48.0
124 3 3 7 38.122 76.244 0.401 3.52 24 102.6 78.5
125 2 8 0 38.457 76.914 0.404 3.47 12 96.4 34.1
126 4 4 6 38.457 76.914 0.404 3.47 24 43.6 14.0
127 8 2 0 38.457 76.914 0.404 3.47 12 61.2 13.7
128 1 2 8 38.791 77.583 0.407 3.42 24 72.6 38.1
129 2 4 7 38.791 77.583 0.407 3.42 24 13.7 1.4
130 7 4 2 38.791 77.583 0.407 3.42 24 134.0 129.9
131 8 2 1 38.791 77.583 0.407 3.42 24 42.7 13.2
132 3 5 6 39.125 78.249 0.41 3.37 24 63.0 28.3
133 6 5 3 39.125 78.249 0.41 3.37 24 101.4 73.3
134 2 2 8 39.789 79.578 0.415 3.28 24 140.8 137.5
135 6 6 0 39.789 79.578 0.415 3.28 12 138.8 66.9
136 3 8 0 40.12 80.24 0.418 3.24 12 44.5 6.8
137 6 6 1 40.12 80.24 0.418 3.24 24 46.2 14.6
138 8 3 0 40.12 80.24 0.418 3.24 12 9.4 0.3
139 1 3 8 40.45 80.901 0.421 3.2 24 88.7 53.2
140 3 4 7 40.45 80.901 0.421 3.2 24 194.2 255.3
141 5 7 0 40.45 80.901 0.421 3.2 12 13.0 0.6
142 7 4 3 40.45 80.901 0.421 3.2 24 20.7 2.9
143 7 5 0 40.45 80.901 0.421 3.2 12 71.7 17.4
144 8 3 1 40.45 80.901 0.421 3.2 24 109.5 81.1
145 1 5 7 40.78 81.56 0.424 3.16 24 60.5 24.5
146 5 5 5 40.78 81.56 0.424 3.16 8 160.7 57.5
147 7 5 1 40.78 81.56 0.424 3.16 24 39.0 10.2
148 6 6 2 41.109 82.218 0.427 3.13 24 66.0 28.8
149 2 3 8 41.438 82.876 0.43 3.09 24 19.6 2.5
150 4 5 6 41.438 82.876 0.43 3.09 24 20.2 2.7
151 6 5 4 41.438 82.876 0.43 3.09 24 49.7 16.1
152 8 3 2 41.438 82.876 0.43 3.09 24 36.9 8.9
153 2 5 7 41.766 83.532 0.432 3.06 24 123.7 98.9
154 7 5 2 41.766 83.532 0.432 3.06 24 119.7 92.6
155 4 8 0 42.421 84.843 0.438 3.0 12 19.1 1.2
156 8 4 0 42.421 84.843 0.438 3.0 12 55.7 9.8
157 1 4 8 42.748 85.497 0.441 2.97 24 11.5 0.8
158 4 4 7 42.748 85.497 0.441 2.97 24 17.7 2.0
159 6 6 3 42.748 85.497 0.441 2.97 24 45.5 13.0
160 8 4 1 42.748 85.497 0.441 2.97 24 79.0 39.3
161 1 9 0 43.075 86.15 0.443 2.95 12 109.5 37.4
162 3 3 8 43.075 86.15 0.443 2.95 24 62.2 24.1
163 9 1 0 43.075 86.15 0.443 2.95 12 86.5 23.4
164 1 1 9 43.402 86.803 0.446 2.92 24 122.8 93.2
165 3 5 7 43.402 86.803 0.446 2.92 24 56.0 19.4
166 7 5 3 43.402 86.803 0.446 2.92 24 82.1 41.7
167 2 4 8 43.728 87.456 0.449 2.9 24 90.9 50.7
168 8 4 2 43.728 87.456 0.449 2.9 24 85.9 45.3
169 2 9 0 44.054 88.108 0.451 2.88 12 74.6 17.0
170 6 7 0 44.054 88.108 0.451 2.88 12 45.0 6.2
171 7 6 0 44.054 88.108 0.451 2.88 12 120.9 44.5
172 9 2 0 44.054 88.108 0.451 2.88 12 12.9 0.5
173 1 2 9 44.38 88.76 0.454 2.86 24 86.4 45.1
174 1 6 7 44.38 88.76 0.454 2.86 24 114.0 78.7
175 5 5 6 44.38 88.76 0.454 2.86 24 65.2 25.7
176 7 6 1 44.38 88.76 0.454 2.86 24 29.7 5.3
177 9 2 1 44.38 88.76 0.454 2.86 24 74.6 33.7
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 2 0 9.709 19.418 4.56748 65.9 1.3 1.3 5.6
2 1 1 2 10.646 21.292 4.16952 551.9 10.9 11.0 5.6
3 2 2 0 12.317 24.634 3.61091 317.7 6.3 6.3 5.6
4 2 2 1 13.077 26.154 3.4044 77.2 1.5 1.5 5.6
5 3 1 0 13.798 27.596 3.2297 5046.7 100.0 100.0 5.6
6 1 1 3 14.486 28.972 3.0794 1138.8 22.6 22.5 5.6
7 2 2 2 15.145 30.29 2.9483 51.9 1.0 1.0 5.6
8 2 3 0 15.779 31.558 2.83263 752.7 14.9 14.9 5.6
9 3 2 1 16.391 32.783 2.72959 2863.9 56.7 56.5 5.6
10 4 1 0 18.117 36.235 2.47706 454.2 9.0 8.9 5.7
11 3 3 1 19.193 38.386 2.34307 261.5 5.2 5.1 5.7
12 4 2 0 19.712 39.424 2.28374 151.0 3.0 3.0 5.7
13 4 2 1 20.22 40.439 2.2287 106.5 2.1 2.1 5.7
14 3 3 2 20.717 41.434 2.17746 278.0 5.5 5.4 5.7
15 2 2 4 21.684 43.367 2.08476 796.5 15.8 15.6 5.7
16 4 3 0 22.154 44.308 2.04264 125.3 2.5 2.4 5.7
17 1 3 4 22.617 45.234 2.00297 1171.0 23.2 22.8 5.7
18 3 3 3 23.072 46.145 1.96553 61.0 1.2 1.2 5.7
19 5 2 0 23.963 47.926 1.89654 503.3 10.0 9.8 5.7
20 1 2 5 24.399 48.799 1.86467 84.6 1.7 1.6 5.7
21 4 4 1 25.674 51.349 1.77789 355.6 7.0 6.9 5.8
22 3 5 0 26.089 52.179 1.75155 92.6 1.8 1.8 5.8
23 4 4 2 26.905 53.811 1.7022 118.5 2.3 2.3 5.8
24 6 1 0 27.307 54.615 1.67904 299.0 5.9 5.8 5.8
25 5 3 2 27.705 55.41 1.6568 1097.1 21.7 21.1 5.8
26 6 2 0 28.49 56.979 1.61485 185.8 3.7 3.6 5.8
27 1 2 6 28.877 57.753 1.59503 458.3 9.1 8.8 5.8
28 1 4 5 29.26 58.521 1.57593 420.4 8.3 8.1 5.8
29 3 3 5 29.641 59.282 1.5575 85.2 1.7 1.6 5.8
30 2 2 6 30.019 60.037 1.5397 83.1 1.6 1.6 5.8
31 6 3 0 30.393 60.787 1.52249 430.1 8.5 8.2 5.8
32 6 3 1 30.765 61.531 1.50585 429.1 8.5 8.2 5.8
33 4 4 4 31.502 63.004 1.47415 163.7 3.2 3.1 5.9
34 2 3 6 31.866 63.733 1.45903 112.0 2.2 2.1 5.9
35 7 1 0 32.229 64.457 1.44436 178.2 3.5 3.4 5.9
36 2 7 0 33.303 66.606 1.40289 87.0 1.7 1.6 5.9
37 7 2 1 33.657 67.314 1.38984 292.9 5.8 5.5 5.9
38 6 4 2 34.36 68.72 1.3648 153.6 3.0 2.9 5.9
39 4 4 5 34.709 69.418 1.35277 66.7 1.3 1.3 5.9
40 3 7 0 35.056 70.113 1.34106 215.4 4.3 4.1 5.9
41 7 3 1 35.402 70.804 1.32965 221.2 4.4 4.2 5.9
42 1 5 6 36.431 72.863 1.29708 209.4 4.1 3.9 6.0
43 8 1 0 37.449 74.898 1.26679 167.7 3.3 3.1 6.0
44 7 4 1 37.786 75.572 1.25716 130.5 2.6 2.4 6.0
45 3 3 7 38.122 76.244 1.24774 78.5 1.6 1.5 6.0
46 2 8 0 38.457 76.914 1.23853 61.8 1.2 1.1 6.0
47 7 4 2 38.791 77.583 1.22952 182.6 3.6 3.4 6.0
48 6 5 3 39.125 78.249 1.22071 101.5 2.0 1.9 6.0
49 2 2 8 39.789 79.578 1.20364 204.4 4.1 3.8 6.0
50 8 3 1 40.45 80.901 1.18726 410.5 8.1 7.6 6.1
51 5 5 5 40.78 81.56 1.17932 92.2 1.8 1.7 6.1
52 2 5 7 41.766 83.532 1.15642 191.6 3.8 3.5 6.1
53 8 4 1 42.748 85.497 1.1348 54.3 1.1 1.0 6.1
54 1 9 0 43.075 86.15 1.12786 84.9 1.7 1.5 6.1
55 1 1 9 43.402 86.803 1.12104 154.2 3.1 2.8 6.1
56 2 4 8 43.728 87.456 1.11435 96.0 1.9 1.7 6.2
57 7 6 0 44.054 88.108 1.10778 68.2 1.4 1.2 6.2
58 1 6 7 44.38 88.76 1.10132 188.5 3.7 3.4 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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