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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DIOPSIDE
49, t-diopside, analogue
(Na,Ca)(Sc,Zn)Si(2)O(6)
Monoclinic C 2/c Z = 4
R =0.025 NR =778
3 .6 .1991
Ref.Str.:
Ohashi H., Osawa T., Sato A., Tsukimura K. (1996)
* J. Min. Petr. Econ. Geol., 91, 21-27
Reserv:
In original - clinopyroxene analogue.
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8111 alpha = 90.0
b = 8.9854 beta = 105.86
c = 5.2649 gamma = 90.0
Unit cell volume (cub. angs.) = 446.46
Molar volume ( cub.cm/mol.) = 67.23
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2871 0.092 0.2317 0.0 Si = 1.00
2 0.1167 0.0872 0.1445 0.01 O = 1.00
3 0.36 0.2483 0.3193 0.01 O = 1.00
4 0.3499 0.0175 0.9968 0.01 O = 1.00
5 0.0 0.9039 0.25 0.01 Sc = 0.15, Zn = 0.85
6 0.0 0.3012 0.25 0.01 Na = 0.5 , Ca = 0.5
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2871 0.092 0.2317
2 2 0.1167 0.0872 0.1445
3 3 0.36 0.2483 0.3193
4 4 0.3499 0.0175 0.9968
5 5 0.0 0.9039 0.25
6 6 0.0 0.3012 0.25
7 1 0.7129 0.908 0.7683
8 2 0.8833 0.9128 0.8555
9 3 0.64 0.7517 0.6807
10 4 0.6501 0.9825 0.0032
11 5 0.0 0.0961 0.75
12 6 0.0 0.6988 0.75
13 1 0.2871 0.908 0.7317
14 2 0.1167 0.9128 0.6445
15 3 0.36 0.7517 0.8193
16 4 0.3499 0.9825 0.4968
17 1 0.7129 0.092 0.2683
18 2 0.8833 0.0872 0.3555
19 3 0.64 0.2483 0.1807
20 4 0.6501 0.0175 0.5032
21 1 0.7871 0.408 0.7317
22 2 0.6167 0.4128 0.6445
23 3 0.86 0.2517 0.8193
24 4 0.8499 0.4825 0.4968
25 5 0.5 0.5961 0.75
26 6 0.5 0.1988 0.75
27 1 0.2129 0.592 0.2683
28 2 0.3833 0.5872 0.3555
29 3 0.14 0.7483 0.1807
30 4 0.1501 0.5175 0.5032
31 5 0.5 0.4039 0.25
32 6 0.5 0.8012 0.25
33 1 0.7871 0.592 0.2317
34 2 0.6167 0.5872 0.1445
35 3 0.86 0.7483 0.3193
36 4 0.8499 0.5175 0.9968
37 1 0.2129 0.408 0.7683
38 2 0.3833 0.4128 0.8555
39 3 0.14 0.2517 0.6807
40 4 0.1501 0.4825 0.0032
X-ray density (g/cm cub.) = 3.66
MU (1/cm) = 188.767 Mass attenuation coefficient (cm**2/g) = 51.591
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6087 2
1.5863 3
1.6655 4
1.681 4
2 O 3.264 11
2.7275 3
2.6841 4
2.8478 2
3.0636 2
3.0636 2
2.6908 4
2.8051 2
3.0169 3
3.0558 3
3.1391 3
2.9163 3
3 O 3.264 10
2.7275 2
2.6649 4
2.5764 4
3.029 3
3.0169 2
3.0558 2
3.1391 2
2.9163 2
3.2443 3
3.0928 4
4 O 3.264 8
2.6841 2
2.6649 3
2.9531 4
2.6908 2
2.5764 3
2.6512 4
2.6512 4
3.0928 3
5 Sc ,Zn 2.628 6
2.1633 2
2.0812 2
2.0812 2
2.1633 2
2.0612 3
2.0612 3
6 Na ,Ca 2.88 8
2.38 2
2.38 2
2.3503 3
2.749 4
2.5788 4
2.5788 4
2.3503 3
2.749 4
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 6.798 13.596 0.077 139.79 4 49.7 693.8
2 2 0 0 9.395 18.79 0.106 72.13 2 44.5 143.2
3 0 2 0 9.872 19.744 0.111 65.12 2 55.6 202.0
4 1 1 -1 10.034 20.068 0.113 62.97 4 37.2 174.4
5 1 1 1 12.099 24.197 0.136 42.65 4 26.9 61.8
6 0 2 1 13.249 26.499 0.149 35.22 4 0.1 0.0
7 2 2 0 13.694 27.388 0.154 32.85 4 42.1 116.9
8 2 2 -1 14.841 29.681 0.166 27.67 4 193.5 2079.5
9 3 1 0 15.036 30.072 0.168 26.91 4 127.5 877.5
10 3 1 -1 15.351 30.701 0.172 25.74 4 51.0 134.1
11 1 3 0 15.653 31.307 0.175 24.68 4 7.2 2.6
12 1 3 -1 17.372 34.744 0.194 19.69 4 130.7 674.6
13 2 0 -2 17.66 35.321 0.197 18.99 2 1.5 0.0
14 0 0 2 17.71 35.419 0.197 18.88 2 205.8 802.6
15 2 2 1 17.731 35.462 0.198 18.83 4 158.5 949.1
16 1 1 -2 17.753 35.506 0.198 18.78 4 36.7 50.7
17 1 3 1 18.693 37.386 0.208 16.77 4 22.1 16.4
18 4 0 0 19.055 38.11 0.212 16.07 2 57.5 53.3
19 3 1 1 19.442 38.885 0.216 15.37 4 45.9 64.9
20 0 4 0 20.054 40.108 0.223 14.35 2 45.3 29.5
21 3 1 -2 20.19 40.381 0.224 14.13 4 33.1 31.1
22 1 1 2 20.278 40.556 0.225 14.0 4 106.5 318.5
23 2 2 -2 20.394 40.788 0.226 13.82 4 0.2 0.0
24 0 2 2 20.437 40.875 0.227 13.76 4 39.3 42.6
25 3 3 0 20.799 41.599 0.23 13.23 4 46.4 57.1
26 3 3 -1 21.038 42.076 0.233 12.89 4 134.9 470.8
27 4 2 -1 21.302 42.603 0.236 12.54 4 106.1 283.0
28 4 2 0 21.639 43.278 0.239 12.1 4 0.2 0.0
29 0 4 1 22.032 44.064 0.243 11.62 4 65.3 99.3
30 2 4 0 22.32 44.639 0.247 11.29 4 24.3 13.4
31 4 0 -2 22.369 44.738 0.247 11.23 2 154.3 268.4
32 2 0 2 22.49 44.98 0.248 11.1 2 127.7 181.6
33 1 3 -2 22.928 45.855 0.253 10.62 4 44.6 42.4
34 2 4 -1 23.089 46.178 0.255 10.46 4 56.8 67.7
35 5 1 -1 23.819 47.638 0.262 9.75 4 50.3 49.4
36 3 3 1 24.318 48.637 0.267 9.3 4 76.4 108.9
37 5 1 0 24.645 49.291 0.271 9.02 4 31.1 17.5
38 4 2 -2 24.671 49.342 0.271 9.0 4 39.8 28.6
39 2 2 2 24.783 49.567 0.272 8.9 4 27.0 13.0
40 3 3 -2 24.948 49.896 0.274 8.77 4 24.8 10.8
41 1 3 2 25.022 50.045 0.275 8.71 4 32.8 18.8
42 2 4 1 25.174 50.347 0.276 8.59 4 55.1 52.3
43 4 2 1 25.568 51.135 0.28 8.3 4 66.8 74.3
44 1 5 0 25.87 51.74 0.283 8.08 4 140.8 321.5
45 5 1 -2 26.462 52.924 0.289 7.67 4 1.6 0.0
46 3 1 2 26.605 53.209 0.291 7.58 4 60.7 56.0
47 1 1 -3 26.697 53.395 0.292 7.52 4 19.2 5.6
48 1 5 -1 27.044 54.088 0.295 7.3 4 36.4 19.4
49 2 4 -2 27.248 54.496 0.297 7.18 4 11.1 1.8
50 0 4 2 27.283 54.566 0.298 7.16 4 102.0 149.5
51 3 1 -3 27.585 55.17 0.301 6.98 4 42.7 25.5
52 4 4 -1 27.983 55.966 0.305 6.75 4 17.5 4.1
53 1 5 1 27.993 55.986 0.305 6.75 4 14.9 3.0
54 5 3 -1 28.102 56.204 0.306 6.69 4 152.8 313.2
55 2 2 -3 28.215 56.43 0.307 6.63 4 167.0 371.1
56 4 4 0 28.259 56.519 0.307 6.61 4 105.4 147.2
57 5 1 1 28.723 57.446 0.312 6.37 4 34.9 15.6
58 5 3 0 28.84 57.681 0.313 6.31 4 25.3 8.1
59 0 2 3 29.172 58.345 0.316 6.15 4 41.6 21.3
60 6 0 0 29.322 58.643 0.318 6.08 2 128.3 100.4
61 1 1 3 29.506 59.012 0.32 5.99 4 27.1 8.8
62 3 5 0 29.58 59.16 0.32 5.96 4 103.9 129.1
63 3 5 -1 29.765 59.529 0.322 5.88 4 15.9 3.0
64 6 0 -2 30.061 60.122 0.325 5.75 2 141.6 115.7
65 6 2 -1 30.108 60.216 0.326 5.73 4 84.1 81.3
66 4 0 2 30.225 60.45 0.327 5.68 2 151.4 130.5
67 5 3 -2 30.484 60.968 0.329 5.57 4 22.5 5.7
68 3 3 2 30.614 61.229 0.331 5.52 4 20.6 4.7
69 1 3 -3 30.699 61.399 0.331 5.48 4 159.2 279.0
70 4 4 -2 30.815 61.629 0.333 5.44 4 38.0 15.8
71 4 2 -3 30.837 61.673 0.333 5.43 4 59.0 38.0
72 2 4 2 30.912 61.824 0.333 5.4 4 12.6 1.7
73 0 6 0 30.954 61.909 0.334 5.38 2 145.1 113.8
74 6 2 0 31.256 62.512 0.337 5.27 4 5.3 0.3
75 1 5 -2 31.264 62.528 0.337 5.27 4 46.2 22.6
76 3 3 -3 31.514 63.028 0.339 5.18 4 62.0 40.0
77 4 4 1 31.593 63.185 0.34 5.15 4 15.1 2.3
78 5 1 -3 31.967 63.934 0.344 5.02 4 55.0 30.5
79 6 2 -2 31.968 63.936 0.344 5.02 4 42.2 18.0
80 4 2 2 32.127 64.253 0.345 4.96 4 62.3 38.6
81 3 5 1 32.404 64.807 0.348 4.87 4 20.8 4.2
82 0 6 1 32.437 64.874 0.348 4.86 4 24.0 5.6
83 5 3 1 32.567 65.133 0.349 4.82 4 195.1 368.0
84 2 6 0 32.659 65.318 0.35 4.79 4 2.8 0.1
85 3 5 -2 32.929 65.857 0.353 4.71 4 146.0 201.3
86 1 5 2 32.991 65.982 0.353 4.69 4 108.9 111.7
87 2 6 -1 33.259 66.518 0.356 4.61 4 32.7 9.9
88 1 3 3 33.296 66.592 0.356 4.6 4 49.7 22.8
89 2 2 3 33.52 67.04 0.358 4.53 4 111.1 112.2
90 7 1 -1 33.796 67.592 0.361 4.45 4 14.7 1.9
91 2 4 -3 33.939 67.878 0.362 4.42 4 73.6 48.0
92 0 4 3 34.804 69.608 0.37 4.19 4 24.2 4.9
93 2 6 1 34.934 69.869 0.372 4.16 4 0.5 0.0
94 7 1 -2 35.141 70.281 0.374 4.11 4 138.4 157.9
95 6 2 1 35.248 70.496 0.375 4.09 4 110.7 100.5
96 7 1 0 35.291 70.582 0.375 4.08 4 77.2 48.7
97 5 1 2 35.322 70.644 0.375 4.07 4 14.3 1.7
98 3 1 3 35.461 70.923 0.377 4.04 4 13.5 1.5
99 5 3 -3 35.614 71.227 0.378 4.0 4 105.7 89.7
100 5 5 -1 35.636 71.273 0.378 4.0 4 16.9 2.3
101 6 4 -1 35.658 71.315 0.378 3.99 4 13.2 1.4
102 2 0 -4 35.819 71.638 0.38 3.96 2 13.4 0.7
103 5 5 0 36.287 72.574 0.384 3.86 4 18.7 2.7
104 4 4 -3 36.327 72.655 0.385 3.85 4 12.9 1.3
105 6 2 -3 36.587 73.174 0.387 3.8 4 40.8 12.7
106 3 1 -4 36.631 73.262 0.387 3.79 4 113.5 98.0
107 2 6 -2 36.667 73.333 0.388 3.78 4 51.8 20.4
108 1 1 -4 36.691 73.381 0.388 3.78 4 29.0 6.4
109 0 6 2 36.696 73.393 0.388 3.78 4 141.5 151.8
110 6 4 0 36.715 73.429 0.388 3.77 4 6.6 0.3
111 1 7 0 37.272 74.545 0.393 3.67 4 18.7 2.6
112 4 6 -1 37.295 74.59 0.393 3.67 4 17.7 2.3
113 4 0 -4 37.355 74.709 0.394 3.65 2 113.9 47.6
114 7 3 -1 37.358 74.715 0.394 3.65 4 24.6 4.5
115 6 4 -2 37.376 74.752 0.394 3.65 4 44.3 14.4
116 0 0 4 37.473 74.946 0.395 3.63 2 144.7 76.4
117 4 4 2 37.524 75.047 0.395 3.62 4 71.2 36.8
118 4 6 0 37.533 75.066 0.395 3.62 4 45.4 15.0
119 2 2 -4 37.577 75.154 0.396 3.62 4 7.1 0.4
120 5 5 -2 37.758 75.515 0.397 3.58 4 41.9 12.6
121 3 5 2 37.875 75.75 0.399 3.56 4 151.7 164.7
122 1 5 -3 37.952 75.904 0.399 3.55 4 1.4 0.0
123 1 7 -1 38.24 76.48 0.402 3.51 4 78.5 43.3
124 7 3 -2 38.651 77.302 0.405 3.44 4 22.8 3.6
125 3 5 -3 38.693 77.385 0.406 3.43 4 20.9 3.0
126 7 3 0 38.796 77.592 0.407 3.42 4 19.9 2.7
127 5 3 2 38.826 77.652 0.407 3.41 4 20.5 2.9
128 2 4 3 38.83 77.66 0.407 3.41 4 27.6 5.2
129 3 3 3 38.96 77.921 0.408 3.4 4 27.7 5.2
130 1 7 1 39.037 78.074 0.409 3.38 4 96.9 63.8
131 4 2 -4 39.087 78.175 0.409 3.38 4 23.3 3.7
132 7 1 -3 39.2 78.4 0.41 3.36 4 25.2 4.3
133 0 2 4 39.204 78.408 0.41 3.36 4 35.2 8.4
134 7 1 1 39.489 78.978 0.413 3.32 4 5.7 0.2
135 5 5 1 39.659 79.319 0.414 3.3 4 26.3 4.6
136 5 1 -4 39.716 79.432 0.415 3.29 4 11.0 0.8
137 4 6 -2 39.78 79.559 0.415 3.28 4 30.1 6.0
138 8 0 -2 39.833 79.665 0.416 3.28 2 64.4 13.6
139 2 6 2 39.867 79.733 0.416 3.27 4 18.2 2.2
140 1 1 4 39.89 79.78 0.416 3.27 4 30.3 6.0
141 6 0 2 40.035 80.071 0.418 3.25 2 15.8 0.8
142 3 3 -4 40.094 80.188 0.418 3.24 4 22.2 3.2
143 1 3 -4 40.152 80.304 0.419 3.24 4 3.8 0.1
144 1 5 3 40.335 80.67 0.42 3.21 4 35.0 7.9
145 3 7 0 40.4 80.799 0.421 3.21 4 2.0 0.0
146 6 4 1 40.469 80.938 0.421 3.2 4 31.6 6.4
147 4 6 1 40.479 80.958 0.421 3.2 4 5.0 0.2
148 3 7 -1 40.561 81.121 0.422 3.19 4 22.6 3.3
149 8 2 -1 40.663 81.325 0.423 3.18 4 68.0 29.5
150 4 2 3 40.722 81.444 0.423 3.17 4 19.0 2.3
151 8 0 0 40.764 81.529 0.424 3.16 2 115.0 42.0
152 8 2 -2 41.537 83.073 0.43 3.08 4 15.1 1.4
153 6 2 2 41.737 83.475 0.432 3.06 4 34.3 7.2
154 6 4 -3 41.753 83.506 0.432 3.06 4 21.3 2.8
155 1 7 -2 41.884 83.768 0.433 3.05 4 30.0 5.5
156 6 0 -4 41.963 83.925 0.434 3.04 2 151.2 69.8
157 2 0 4 42.192 84.384 0.436 3.02 2 50.2 7.6
158 8 2 0 42.461 84.922 0.438 3.0 4 10.4 0.7
159 5 5 -3 42.514 85.029 0.439 2.99 4 44.9 12.1
160 7 3 -3 42.605 85.211 0.439 2.99 4 5.7 0.2
161 2 6 -3 42.63 85.261 0.44 2.98 4 0.3 0.0
162 2 4 -4 42.71 85.42 0.44 2.98 4 28.4 4.8
163 7 3 1 42.889 85.779 0.442 2.96 4 1.1 0.0
164 3 7 1 42.909 85.819 0.442 2.96 4 33.6 6.7
165 5 3 -4 43.113 86.226 0.444 2.95 4 20.4 2.5
166 1 3 4 43.285 86.569 0.445 2.93 4 1.2 0.0
167 0 8 0 43.299 86.598 0.445 2.93 2 5.7 0.1
168 3 7 -2 43.387 86.775 0.446 2.93 4 31.8 5.9
169 0 6 3 43.438 86.877 0.446 2.92 4 16.0 1.5
170 1 7 2 43.444 86.889 0.446 2.92 4 6.8 0.3
171 6 2 -4 43.652 87.304 0.448 2.91 4 10.1 0.6
172 2 2 4 43.88 87.761 0.45 2.89 4 51.7 15.5
173 5 1 3 44.076 88.152 0.452 2.88 4 3.7 0.1
174 4 4 -4 44.182 88.364 0.452 2.87 4 54.1 16.8
175 7 5 -1 44.185 88.37 0.452 2.87 4 10.2 0.6
176 6 6 -1 44.243 88.487 0.453 2.87 4 8.2 0.4
177 0 4 4 44.296 88.592 0.453 2.87 4 39.7 9.1
178 0 8 1 44.625 89.251 0.456 2.85 4 3.9 0.1
179 2 8 0 44.827 89.654 0.458 2.84 4 21.8 2.7
180 4 6 -3 44.88 89.761 0.458 2.83 4 0.2 0.0
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 6.798 13.596 6.5076 693.8 33.4 33.7 5.6
2 2 0 0 9.395 18.79 4.71876 143.2 6.9 6.9 5.6
3 0 2 0 9.872 19.744 4.4927 202.0 9.7 9.8 5.6
4 1 1 -1 10.034 20.068 4.42093 174.4 8.4 8.4 5.6
5 1 1 1 12.099 24.197 3.6751 61.8 3.0 3.0 5.6
6 2 2 0 13.694 27.388 3.2538 116.9 5.6 5.6 5.6
7 2 2 -1 14.841 29.681 3.00736 2079.5 100.0 100.0 5.6
8 3 1 0 15.036 30.072 2.96913 877.5 42.2 42.2 5.6
9 3 1 -1 15.351 30.701 2.90974 134.1 6.4 6.4 5.6
10 1 3 -1 17.372 34.744 2.57983 674.6 32.4 32.3 5.7
11 2 2 1 17.731 35.462 2.52929 1802.4 86.7 86.2 5.7
12 4 0 0 19.055 38.11 2.35938 53.3 2.6 2.5 5.7
13 3 1 1 19.442 38.885 2.31414 64.9 3.1 3.1 5.7
14 0 4 0 20.054 40.108 2.24635 29.5 1.4 1.4 5.7
15 3 1 -2 20.19 40.381 2.2318 31.1 1.5 1.5 5.7
16 1 1 2 20.278 40.556 2.22254 318.5 15.3 15.2 5.7
17 0 2 2 20.437 40.875 2.20595 42.6 2.0 2.0 5.7
18 3 3 0 20.799 41.599 2.1692 57.1 2.7 2.7 5.7
19 3 3 -1 21.038 42.076 2.14572 470.8 22.6 22.4 5.7
20 4 2 -1 21.302 42.603 2.12036 283.0 13.6 13.4 5.7
21 0 4 1 22.032 44.064 2.05342 99.3 4.8 4.7 5.7
22 4 0 -2 22.369 44.738 2.02403 268.4 12.9 12.7 5.7
23 2 0 2 22.49 44.98 2.01369 181.6 8.7 8.6 5.7
24 1 3 -2 22.928 45.855 1.97727 42.4 2.0 2.0 5.7
25 2 4 -1 23.089 46.178 1.96419 67.7 3.3 3.2 5.7
26 5 1 -1 23.819 47.638 1.90735 49.4 2.4 2.3 5.7
27 3 3 1 24.318 48.637 1.87048 108.9 5.2 5.1 5.7
28 4 2 -2 24.671 49.342 1.8454 46.1 2.2 2.2 5.7
29 2 4 1 25.174 50.347 1.81087 52.3 2.5 2.5 5.8
30 4 2 1 25.568 51.135 1.7848 74.3 3.6 3.5 5.8
31 1 5 0 25.87 51.74 1.76536 321.5 15.5 15.1 5.8
32 3 1 2 26.605 53.209 1.72002 56.0 2.7 2.6 5.8
33 0 4 2 27.283 54.566 1.68043 149.5 7.2 7.0 5.8
34 3 1 -3 27.585 55.17 1.66344 25.5 1.2 1.2 5.8
35 5 3 -1 28.102 56.204 1.63525 313.2 15.1 14.6 5.8
36 2 2 -3 28.215 56.43 1.62924 371.1 17.8 17.3 5.8
37 4 4 0 28.259 56.519 1.6269 147.2 7.1 6.9 5.8
38 0 2 3 29.172 58.345 1.58027 21.3 1.0 1.0 5.8
39 6 0 0 29.322 58.643 1.57292 100.4 4.8 4.7 5.8
40 3 5 0 29.58 59.16 1.56042 129.1 6.2 6.0 5.8
41 6 0 -2 30.061 60.122 1.53773 115.7 5.6 5.4 5.8
42 6 2 -1 30.108 60.216 1.53556 81.3 3.9 3.8 5.8
43 4 0 2 30.225 60.45 1.53017 130.5 6.3 6.1 5.8
44 1 3 -3 30.699 61.399 1.50878 279.0 13.4 12.9 5.8
45 4 2 -3 30.837 61.673 1.50272 53.8 2.6 2.5 5.8
46 0 6 0 30.954 61.909 1.49757 113.8 5.5 5.3 5.8
47 1 5 -2 31.264 62.528 1.48421 22.6 1.1 1.0 5.8
48 3 3 -3 31.514 63.028 1.47364 40.0 1.9 1.9 5.9
49 5 1 -3 31.967 63.934 1.45491 48.4 2.3 2.2 5.9
50 4 2 2 32.127 64.253 1.44846 38.6 1.9 1.8 5.9
51 5 3 1 32.567 65.133 1.43101 368.0 17.7 17.0 5.9
52 3 5 -2 32.929 65.857 1.41701 201.3 9.7 9.3 5.9
53 1 5 2 32.991 65.982 1.41463 111.7 5.4 5.1 5.9
54 1 3 3 33.296 66.592 1.40316 22.8 1.1 1.0 5.9
55 2 2 3 33.52 67.04 1.39486 112.2 5.4 5.2 5.9
56 2 4 -3 33.939 67.878 1.37966 48.0 2.3 2.2 5.9
57 7 1 -2 35.141 70.281 1.33825 157.9 7.6 7.2 5.9
58 6 2 1 35.248 70.496 1.3347 100.5 4.8 4.6 5.9
59 7 1 0 35.291 70.582 1.33329 48.7 2.3 2.2 5.9
60 5 3 -3 35.614 71.227 1.32279 92.0 4.4 4.2 5.9
61 3 1 -4 36.631 73.262 1.29099 98.0 4.7 4.5 6.0
62 0 6 2 36.696 73.393 1.28901 178.6 8.6 8.1 6.0
63 4 0 -4 37.355 74.709 1.26952 66.4 3.2 3.0 6.0
64 0 0 4 37.473 74.946 1.26611 76.4 3.7 3.5 6.0
65 4 4 2 37.524 75.047 1.26464 51.8 2.5 2.3 6.0
66 3 5 2 37.875 75.75 1.25464 164.7 7.9 7.4 6.0
67 1 7 -1 38.24 76.48 1.24449 43.3 2.1 2.0 6.0
68 1 7 1 39.037 78.074 1.22301 63.8 3.1 2.9 6.0
69 8 2 -1 40.663 81.325 1.18213 29.5 1.4 1.3 6.1
70 8 0 0 40.764 81.529 1.17969 42.0 2.0 1.9 6.1
71 6 0 -4 41.963 83.925 1.152 69.8 3.4 3.1 6.1
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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