Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
LANGBEINITE
18, analogue, at 150'K
Rb(2)YbTi[PO(4)](3)
Cubic P 2(1)3 Z = 4
R =0.023 NR =1333
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 = 10.2111 alpha = 90.0
b = 10.2111 beta = 90.0
c = 10.2111 gamma = 90.0
Unit cell volume (cub. angs.) = 1064.68
Molar volume ( cub.cm/mol.) = 160.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4296 0.5704 0.0704 0.0 Rb = 1.00
2 0.2079 0.7921 0.2921 0.0 Rb = 1.00
3 0.0833 0.5833 0.9167 0.0 Yb = 0.68, Ti = 0.32
4 0.3522 0.8522 0.6478 0.0 Ti = 0.68, Yb = 0.32
5 0.2648 0.8787 0.9582 0.0 P = 1.00
6 0.4028 0.8522 0.0053 0.0 O = 1.00
7 0.1802 0.7567 0.9798 0.0 O = 1.00
8 0.2638 0.9172 0.812 0.0 O = 1.00
9 0.2036 0.991 0.0376 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4296 0.5704 0.0704
2 2 0.2079 0.7921 0.2921
3 3 0.0833 0.5833 0.9167
4 4 0.3522 0.8522 0.6478
5 5 0.2648 0.8787 0.9582
6 6 0.4028 0.8522 0.0053
7 7 0.1802 0.7567 0.9798
8 8 0.2638 0.9172 0.812
9 9 0.2036 0.991 0.0376
10 1 0.0704 0.4296 0.5704
11 2 0.2921 0.2079 0.7921
12 3 0.4167 0.4167 0.4167
13 4 0.1478 0.1478 0.1478
14 5 0.2352 0.1213 0.4582
15 6 0.0972 0.1478 0.5053
16 7 0.3198 0.2433 0.4798
17 8 0.2362 0.0828 0.312
18 9 0.2964 0.009 0.5376
19 1 0.5704 0.0704 0.4296
20 2 0.7921 0.2921 0.2079
21 3 0.9167 0.0833 0.5833
22 4 0.6478 0.3522 0.8522
23 5 0.7352 0.3787 0.5418
24 6 0.5972 0.3522 0.4947
25 7 0.8198 0.2567 0.5202
26 8 0.7362 0.4172 0.688
27 9 0.7964 0.491 0.4624
28 1 0.9296 0.9296 0.9296
29 2 0.7079 0.7079 0.7079
30 3 0.5833 0.9167 0.0833
31 4 0.8522 0.6478 0.3522
32 5 0.7648 0.6213 0.0418
33 6 0.9028 0.6478 0.9947
34 7 0.6802 0.7433 0.0202
35 8 0.7638 0.5828 0.188
36 9 0.7036 0.509 0.9624
37 5 0.8787 0.9582 0.2648
38 5 0.9582 0.2648 0.8787
39 6 0.8522 0.0053 0.4028
40 6 0.0053 0.4028 0.8522
41 7 0.7567 0.9798 0.1802
42 7 0.9798 0.1802 0.7567
43 8 0.9172 0.812 0.2638
44 8 0.812 0.2638 0.9172
45 9 0.991 0.0376 0.2036
46 9 0.0376 0.2036 0.991
47 5 0.1213 0.4582 0.2352
48 5 0.4582 0.2352 0.1213
49 6 0.1478 0.5053 0.0972
50 6 0.5053 0.0972 0.1478
51 7 0.2433 0.4798 0.3198
52 7 0.4798 0.3198 0.2433
53 8 0.0828 0.312 0.2362
54 8 0.312 0.2362 0.0828
55 9 0.009 0.5376 0.2964
56 9 0.5376 0.2964 0.009
57 5 0.3787 0.5418 0.7352
58 5 0.5418 0.7352 0.3787
59 6 0.3522 0.4947 0.5972
60 6 0.4947 0.5972 0.3522
61 7 0.2567 0.5202 0.8198
62 7 0.5202 0.8198 0.2567
63 8 0.4172 0.688 0.7362
64 8 0.688 0.7362 0.4172
65 9 0.491 0.4624 0.7964
66 9 0.4624 0.7964 0.491
67 5 0.6213 0.0418 0.7648
68 5 0.0418 0.7648 0.6213
69 6 0.6478 0.9947 0.9028
70 6 0.9947 0.9028 0.6478
71 7 0.7433 0.0202 0.6802
72 7 0.0202 0.6802 0.7433
73 8 0.5828 0.188 0.7638
74 8 0.188 0.7638 0.5828
75 9 0.509 0.9624 0.7036
76 9 0.9624 0.7036 0.509
X-ray density (g/cm cub.) = 4.22
MU (1/cm) = 399.737 Mass attenuation coefficient (cm**2/g) = 94.705
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Rb 3.42 12
2.9661 6
3.3108 7
3.1507 7
3.0717 9
2.9661 6
3.3108 7
3.1507 7
3.0717 9
2.9661 6
3.1507 7
3.3108 7
3.0717 9
2 Rb 3.42 9
3.2221 7
3.2986 9
2.989 8
2.989 8
3.2221 7
3.2986 9
3.2221 7
3.2986 9
2.989 8
3 Yb ,Ti 2.604 6
2.128 7
2.1133 6
2.1133 6
2.1133 6
2.128 7
2.128 7
4 Ti ,Yb 2.604 6
2.0167 8
2.0381 9
2.0167 8
2.0381 9
2.0167 8
2.0381 9
5 P 2.232 4
1.5139 6
1.5318 7
1.5434 8
1.5371 9
6 O 3.264 8
2.487 7
2.5201 8
2.501 9
3.0468 7
3.0775 6
2.8524 7
3.2223 8
3.0776 6
7 O 3.264 7
2.487 6
2.52 8
2.4757 9
3.0468 6
2.8524 6
3.0185 7
3.0185 7
8 O 3.264 8
2.5201 6
2.52 7
2.5005 9
2.9733 9
2.9206 8
3.2223 6
2.9206 8
2.7762 9
9 O 3.264 7
2.501 6
2.4757 7
2.5005 8
2.9733 8
2.7951 9
2.7951 9
2.7762 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 6.124 12.248 0.069 172.76 12 24.6 110.6
2 1 1 1 7.508 15.015 0.085 114.2 8 44.5 159.7
3 2 0 0 8.677 17.355 0.098 84.93 6 27.9 35.1
4 1 2 0 9.711 19.422 0.109 67.37 12 103.0 756.0
5 2 1 0 9.711 19.422 0.109 67.37 12 2.4 0.4
6 1 1 2 10.648 21.296 0.12 55.67 24 111.7 1470.8
7 2 2 0 12.32 24.639 0.138 41.06 12 107.3 500.7
8 2 2 1 13.08 26.159 0.147 36.2 24 49.2 185.8
9 1 3 0 13.801 27.602 0.155 32.31 12 277.6 2636.0
10 3 1 0 13.801 27.602 0.155 32.31 12 341.5 3988.3
11 1 1 3 14.489 28.978 0.162 29.13 24 158.8 1554.2
12 2 2 2 15.148 30.296 0.17 26.48 8 67.6 85.5
13 2 3 0 15.783 31.565 0.177 24.25 12 115.9 345.0
14 3 2 0 15.783 31.565 0.177 24.25 12 74.9 144.0
15 1 2 3 16.395 32.79 0.183 22.33 24 173.2 1418.3
16 3 2 1 16.395 32.79 0.183 22.33 24 259.3 3178.9
17 4 0 0 17.562 35.125 0.196 19.23 6 42.3 18.2
18 1 4 0 18.121 36.242 0.202 17.95 12 25.6 12.4
19 2 2 3 18.121 36.242 0.202 17.95 24 77.3 227.2
20 4 1 0 18.121 36.242 0.202 17.95 12 61.2 71.1
21 1 1 4 18.666 37.331 0.208 16.82 24 49.3 86.4
22 3 3 0 18.666 37.331 0.208 16.82 12 13.3 3.2
23 3 3 1 19.197 38.394 0.213 15.81 24 62.1 129.2
24 2 4 0 19.716 39.432 0.219 14.9 12 66.7 70.1
25 4 2 0 19.716 39.432 0.219 14.9 12 88.0 122.1
26 1 2 4 20.224 40.448 0.224 14.08 24 62.7 117.2
27 4 2 1 20.224 40.448 0.224 14.08 24 26.3 20.6
28 3 3 2 20.721 41.443 0.23 13.34 24 93.8 248.2
29 2 2 4 21.688 43.377 0.24 12.04 24 232.0 1372.3
30 3 4 0 22.159 44.318 0.245 11.48 12 45.8 25.5
31 4 3 0 22.159 44.318 0.245 11.48 12 141.9 244.6
32 1 3 4 22.622 45.244 0.25 10.95 24 211.0 1032.3
33 1 5 0 22.622 45.244 0.25 10.95 12 128.1 190.3
34 4 3 1 22.622 45.244 0.25 10.95 24 129.0 385.9
35 5 1 0 22.622 45.244 0.25 10.95 12 138.7 223.0
36 1 1 5 23.077 46.155 0.254 10.47 24 66.6 98.3
37 3 3 3 23.077 46.155 0.254 10.47 8 117.5 102.0
38 2 3 4 23.968 47.937 0.264 9.61 24 48.2 47.3
39 2 5 0 23.968 47.937 0.264 9.61 12 143.3 208.9
40 4 3 2 23.968 47.937 0.264 9.61 24 148.2 447.0
41 5 2 0 23.968 47.937 0.264 9.61 12 90.5 83.2
42 1 2 5 24.405 48.809 0.268 9.22 24 86.2 145.1
43 5 2 1 24.405 48.809 0.268 9.22 24 32.0 20.0
44 4 4 0 25.26 50.52 0.277 8.53 12 103.8 97.2
45 2 2 5 25.68 51.36 0.281 8.21 24 36.5 23.1
46 4 4 1 25.68 51.36 0.281 8.21 24 167.0 484.8
47 3 3 4 26.095 52.19 0.286 7.92 24 47.2 37.4
48 3 5 0 26.095 52.19 0.286 7.92 12 139.5 163.0
49 5 3 0 26.095 52.19 0.286 7.92 12 46.4 18.0
50 1 3 5 26.505 53.011 0.29 7.64 24 20.7 6.9
51 5 3 1 26.505 53.011 0.29 7.64 24 37.6 22.9
52 4 4 2 26.911 53.823 0.294 7.38 24 90.1 126.8
53 6 0 0 26.911 53.823 0.294 7.38 6 162.3 102.9
54 1 6 0 27.313 54.627 0.298 7.14 12 127.7 123.2
55 6 1 0 27.313 54.627 0.298 7.14 12 173.3 227.0
56 1 1 6 27.711 55.423 0.302 6.91 24 177.3 459.7
57 2 3 5 27.711 55.423 0.302 6.91 24 201.2 591.9
58 5 3 2 27.711 55.423 0.302 6.91 24 200.8 589.5
59 2 6 0 28.496 56.992 0.31 6.48 12 143.4 141.2
60 6 2 0 28.496 56.992 0.31 6.48 12 156.6 168.3
61 1 2 6 28.883 57.766 0.314 6.29 24 127.3 215.8
62 4 4 3 28.883 57.766 0.314 6.29 24 64.7 55.7
63 4 5 0 28.883 57.766 0.314 6.29 12 89.9 53.8
64 5 4 0 28.883 57.766 0.314 6.29 12 55.2 20.3
65 6 2 1 28.883 57.766 0.314 6.29 24 94.6 119.1
66 1 4 5 29.267 58.534 0.317 6.1 24 190.9 471.1
67 5 4 1 29.267 58.534 0.317 6.1 24 116.4 175.1
68 3 3 5 29.648 59.295 0.321 5.93 24 75.8 72.2
69 2 2 6 30.025 60.051 0.325 5.76 24 102.4 127.8
70 2 4 5 30.4 60.8 0.328 5.61 24 66.8 53.0
71 3 6 0 30.4 60.8 0.328 5.61 12 186.6 206.5
72 5 4 2 30.4 60.8 0.328 5.61 24 137.9 225.7
73 6 3 0 30.4 60.8 0.328 5.61 12 126.2 94.5
74 1 3 6 30.772 61.545 0.332 5.46 24 44.2 22.6
75 6 3 1 30.772 61.545 0.332 5.46 24 246.1 699.6
76 4 4 4 31.509 63.018 0.339 5.18 8 259.9 246.9
77 2 3 6 31.874 63.747 0.343 5.05 24 108.0 124.7
78 6 3 2 31.874 63.747 0.343 5.05 24 72.1 55.6
79 1 7 0 32.236 64.472 0.346 4.93 12 75.4 29.7
80 3 4 5 32.236 64.472 0.346 4.93 24 109.5 125.1
81 5 4 3 32.236 64.472 0.346 4.93 24 113.8 135.2
82 5 5 0 32.236 64.472 0.346 4.93 12 113.4 67.0
83 7 1 0 32.236 64.472 0.346 4.93 12 74.4 28.9
84 1 1 7 32.596 65.193 0.35 4.81 24 39.9 16.2
85 5 5 1 32.596 65.193 0.35 4.81 24 62.1 39.3
86 4 6 0 32.955 65.909 0.353 4.7 12 10.8 0.6
87 6 4 0 32.955 65.909 0.353 4.7 12 85.3 36.2
88 1 4 6 33.311 66.621 0.356 4.59 24 53.3 27.6
89 2 7 0 33.311 66.621 0.356 4.59 12 125.8 77.0
90 6 4 1 33.311 66.621 0.356 4.59 24 19.7 3.8
91 7 2 0 33.311 66.621 0.356 4.59 12 71.3 24.7
92 1 2 7 33.665 67.33 0.36 4.49 24 43.4 17.9
93 3 3 6 33.665 67.33 0.36 4.49 24 83.2 65.7
94 5 5 2 33.665 67.33 0.36 4.49 24 93.4 83.0
95 7 2 1 33.665 67.33 0.36 4.49 24 132.9 167.8
96 2 4 6 34.368 68.736 0.366 4.3 24 79.7 57.8
97 6 4 2 34.368 68.736 0.366 4.3 24 118.7 128.4
98 2 2 7 34.717 69.434 0.37 4.21 24 86.3 66.5
99 4 4 5 34.717 69.434 0.37 4.21 24 80.7 58.1
100 3 7 0 35.065 70.129 0.373 4.13 12 277.6 336.8
101 7 3 0 35.065 70.129 0.373 4.13 12 3.6 0.1
102 1 3 7 35.411 70.821 0.376 4.05 24 74.9 48.2
103 5 5 3 35.411 70.821 0.376 4.05 24 72.9 45.6
104 7 3 1 35.411 70.821 0.376 4.05 24 146.2 183.3
105 3 4 6 36.098 72.196 0.382 3.9 24 40.5 13.5
106 5 6 0 36.098 72.196 0.382 3.9 12 20.0 1.6
107 6 4 3 36.098 72.196 0.382 3.9 24 47.8 18.9
108 6 5 0 36.098 72.196 0.382 3.9 12 7.2 0.2
109 1 5 6 36.44 72.88 0.386 3.83 24 139.2 157.0
110 2 3 7 36.44 72.88 0.386 3.83 24 5.6 0.3
111 6 5 1 36.44 72.88 0.386 3.83 24 83.9 57.1
112 7 3 2 36.44 72.88 0.386 3.83 24 103.2 86.3
113 8 0 0 37.12 74.24 0.392 3.7 6 97.3 18.5
114 1 8 0 37.458 74.916 0.395 3.64 12 37.4 5.4
115 2 5 6 37.458 74.916 0.395 3.64 24 88.9 60.8
116 4 7 0 37.458 74.916 0.395 3.64 12 91.3 32.1
117 6 5 2 37.458 74.916 0.395 3.64 24 35.3 9.6
118 7 4 0 37.458 74.916 0.395 3.64 12 156.1 93.8
119 8 1 0 37.458 74.916 0.395 3.64 12 98.0 36.9
120 1 1 8 37.795 75.59 0.398 3.58 24 56.6 24.3
121 1 4 7 37.795 75.59 0.398 3.58 24 35.8 9.7
122 5 5 4 37.795 75.59 0.398 3.58 24 118.3 106.0
123 7 4 1 37.795 75.59 0.398 3.58 24 113.0 96.7
124 3 3 7 38.131 76.263 0.401 3.52 24 133.1 132.1
125 2 8 0 38.467 76.933 0.404 3.47 12 112.1 46.2
126 4 4 6 38.467 76.933 0.404 3.47 24 42.6 13.4
127 8 2 0 38.467 76.933 0.404 3.47 12 45.4 7.6
128 1 2 8 38.801 77.602 0.407 3.42 24 60.3 26.3
129 2 4 7 38.801 77.602 0.407 3.42 24 17.2 2.1
130 7 4 2 38.801 77.602 0.407 3.42 24 117.8 100.5
131 8 2 1 38.801 77.602 0.407 3.42 24 70.2 35.6
132 3 5 6 39.134 78.268 0.41 3.37 24 111.8 89.2
133 6 5 3 39.134 78.268 0.41 3.37 24 103.1 75.9
134 2 2 8 39.799 79.597 0.415 3.28 24 186.9 242.6
135 6 6 0 39.799 79.597 0.415 3.28 12 208.4 150.8
136 3 8 0 40.13 80.26 0.418 3.24 12 64.4 14.2
137 6 6 1 40.13 80.26 0.418 3.24 24 43.5 13.0
138 8 3 0 40.13 80.26 0.418 3.24 12 38.7 5.1
139 1 3 8 40.46 80.921 0.421 3.2 24 122.3 101.3
140 3 4 7 40.46 80.921 0.421 3.2 24 238.2 384.2
141 5 7 0 40.46 80.921 0.421 3.2 12 10.3 0.4
142 7 4 3 40.46 80.921 0.421 3.2 24 45.7 14.2
143 7 5 0 40.46 80.921 0.421 3.2 12 50.4 8.6
144 8 3 1 40.46 80.921 0.421 3.2 24 134.6 122.7
145 1 5 7 40.79 81.58 0.424 3.16 24 57.6 22.2
146 5 5 5 40.79 81.58 0.424 3.16 8 173.9 67.5
147 7 5 1 40.79 81.58 0.424 3.16 24 60.7 24.7
148 6 6 2 41.12 82.239 0.427 3.13 24 87.1 50.2
149 2 3 8 41.448 82.897 0.43 3.09 24 23.9 3.7
150 4 5 6 41.448 82.897 0.43 3.09 24 14.0 1.3
151 6 5 4 41.448 82.897 0.43 3.09 24 70.8 32.8
152 8 3 2 41.448 82.897 0.43 3.09 24 55.8 20.4
153 2 5 7 41.777 83.553 0.432 3.06 24 148.2 142.4
154 7 5 2 41.777 83.553 0.432 3.06 24 157.7 161.1
155 4 8 0 42.432 84.864 0.438 3.0 12 30.0 2.9
156 8 4 0 42.432 84.864 0.438 3.0 12 50.8 8.2
157 1 4 8 42.759 85.519 0.441 2.97 24 44.5 12.5
158 4 4 7 42.759 85.519 0.441 2.97 24 19.2 2.3
159 6 6 3 42.759 85.519 0.441 2.97 24 55.9 19.7
160 8 4 1 42.759 85.519 0.441 2.97 24 66.2 27.6
161 1 9 0 43.086 86.172 0.443 2.95 12 101.6 32.2
162 3 3 8 43.086 86.172 0.443 2.95 24 70.3 30.9
163 9 1 0 43.086 86.172 0.443 2.95 12 141.0 62.0
164 1 1 9 43.413 86.826 0.446 2.92 24 123.3 94.1
165 3 5 7 43.413 86.826 0.446 2.92 24 63.7 25.1
166 7 5 3 43.413 86.826 0.446 2.92 24 73.9 33.8
167 2 4 8 43.739 87.479 0.449 2.9 24 110.7 75.2
168 8 4 2 43.739 87.479 0.449 2.9 24 105.0 67.8
169 2 9 0 44.066 88.131 0.451 2.88 12 129.4 51.1
170 6 7 0 44.066 88.131 0.451 2.88 12 48.9 7.3
171 7 6 0 44.066 88.131 0.451 2.88 12 108.8 36.1
172 9 2 0 44.066 88.131 0.451 2.88 12 1.1 0.0
173 1 2 9 44.392 88.784 0.454 2.86 24 103.9 65.4
174 1 6 7 44.392 88.784 0.454 2.86 24 129.8 102.1
175 5 5 6 44.392 88.784 0.454 2.86 24 85.2 44.0
176 7 6 1 44.392 88.784 0.454 2.86 24 37.9 8.7
177 9 2 1 44.392 88.784 0.454 2.86 24 101.6 62.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 6.124 12.248 7.22034 110.6 1.7 1.7 5.6
2 1 1 1 7.508 15.015 5.89538 159.7 2.4 2.4 5.6
3 1 2 0 9.711 19.422 4.56654 756.4 11.4 11.5 5.6
4 1 1 2 10.648 21.296 4.16866 1470.8 22.2 22.3 5.6
5 2 2 0 12.32 24.639 3.61017 500.7 7.6 7.6 5.6
6 2 2 1 13.08 26.159 3.4037 185.8 2.8 2.8 5.6
7 3 1 0 13.801 27.602 3.22903 6624.3 100.0 100.0 5.6
8 1 1 3 14.489 28.978 3.07876 1554.2 23.5 23.4 5.6
9 2 2 2 15.148 30.296 2.94769 85.5 1.3 1.3 5.6
10 2 3 0 15.783 31.565 2.83205 489.0 7.4 7.4 5.6
11 3 2 1 16.395 32.79 2.72903 4597.3 69.4 69.1 5.6
12 4 1 0 18.121 36.242 2.47656 310.7 4.7 4.7 5.7
13 1 1 4 18.666 37.331 2.40678 89.5 1.4 1.3 5.7
14 3 3 1 19.197 38.394 2.34259 129.2 2.0 1.9 5.7
15 4 2 0 19.716 39.432 2.28327 192.3 2.9 2.9 5.7
16 1 2 4 20.224 40.448 2.22824 137.8 2.1 2.1 5.7
17 3 3 2 20.721 41.443 2.17701 248.2 3.7 3.7 5.7
18 2 2 4 21.688 43.377 2.08433 1372.3 20.7 20.4 5.7
19 4 3 0 22.159 44.318 2.04222 270.1 4.1 4.0 5.7
20 1 3 4 22.622 45.244 2.00256 1831.5 27.6 27.2 5.7
21 3 3 3 23.077 46.155 1.96513 200.3 3.0 3.0 5.7
22 5 2 0 23.968 47.937 1.89615 786.5 11.9 11.6 5.7
23 1 2 5 24.405 48.809 1.86428 165.2 2.5 2.4 5.7
24 4 4 0 25.26 50.52 1.80508 97.2 1.5 1.4 5.8
25 4 4 1 25.68 51.36 1.77752 507.9 7.7 7.5 5.8
26 3 5 0 26.095 52.19 1.75119 218.5 3.3 3.2 5.8
27 4 4 2 26.911 53.823 1.70185 229.7 3.5 3.4 5.8
28 6 1 0 27.313 54.627 1.67869 350.1 5.3 5.1 5.8
29 5 3 2 27.711 55.423 1.65646 1641.0 24.8 24.1 5.8
30 6 2 0 28.496 56.992 1.61452 309.5 4.7 4.5 5.8
31 1 2 6 28.883 57.766 1.59471 464.6 7.0 6.8 5.8
32 1 4 5 29.267 58.534 1.57561 646.2 9.8 9.4 5.8
33 3 3 5 29.648 59.295 1.55718 72.2 1.1 1.1 5.8
34 2 2 6 30.025 60.051 1.53938 127.8 1.9 1.9 5.8
35 6 3 0 30.4 60.8 1.52218 579.8 8.8 8.4 5.8
36 6 3 1 30.772 61.545 1.50554 722.2 10.9 10.5 5.8
37 4 4 4 31.509 63.018 1.47385 246.9 3.7 3.6 5.9
38 2 3 6 31.874 63.747 1.45873 180.3 2.7 2.6 5.9
39 5 5 0 32.236 64.472 1.44407 385.9 5.8 5.6 5.9
40 2 7 0 33.311 66.621 1.4026 133.1 2.0 1.9 5.9
41 7 2 1 33.665 67.33 1.38955 334.5 5.0 4.8 5.9
42 6 4 2 34.368 68.736 1.36452 186.2 2.8 2.7 5.9
43 2 2 7 34.717 69.434 1.35249 124.6 1.9 1.8 5.9
44 3 7 0 35.065 70.129 1.34078 336.9 5.1 4.8 5.9
45 7 3 1 35.411 70.821 1.32937 277.1 4.2 4.0 5.9
46 1 5 6 36.44 72.88 1.29681 300.6 4.5 4.3 6.0
47 8 1 0 37.458 74.916 1.26653 238.6 3.6 3.4 6.0
48 7 4 1 37.795 75.59 1.2569 236.7 3.6 3.4 6.0
49 3 3 7 38.131 76.263 1.24748 132.1 2.0 1.9 6.0
50 2 8 0 38.467 76.933 1.23828 67.1 1.0 0.9 6.0
51 8 2 1 38.801 77.602 1.22927 164.6 2.5 2.3 6.0
52 3 5 6 39.134 78.268 1.22046 165.1 2.5 2.3 6.0
53 2 2 8 39.799 79.597 1.20339 393.4 5.9 5.5 6.0
54 8 3 1 40.46 80.921 1.18702 631.3 9.5 8.8 6.1
55 7 5 1 40.79 81.58 1.17908 114.3 1.7 1.6 6.1
56 7 5 2 41.777 83.553 1.15618 303.4 4.6 4.2 6.1
57 9 1 0 43.086 86.172 1.12763 125.1 1.9 1.7 6.1
58 1 1 9 43.413 86.826 1.12081 153.0 2.3 2.1 6.1
59 2 4 8 43.739 87.479 1.11412 143.0 2.2 2.0 6.2
60 2 9 0 44.066 88.131 1.10755 94.5 1.4 1.3 6.2
61 1 6 7 44.392 88.784 1.10109 282.8 4.3 3.9 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)
|