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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ANDESINE
1, f-feldspar, sf-plagioclase, DF
Ca(0.38)Na(0.62)Al(1.38)Si(2.62)O(8)
Triclinic C 1(-) Z = 4
R =0.044 NR =1176
12 .2 .1993
Ref.Str.:
Steurer W., Jagodzinski H. (1988)
* Acta Cryst., B44, 4, 344-351
Reserv:
P 1(-) has been substituted for C 1(-). c(new) = 0.5c(original).
z(new) = 2z(original). D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.151 alpha = 93.62
b = 12.829 beta = 116.21
c = 7.103 gamma = 89.7
Unit cell volume (cub. angs.) = 664.84
Molar volume ( cub.cm/mol.) = 100.11
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2673 0.9799 0.1662 0.03 Ca = 0.18, Na = 0.29
2 0.2718 0.0277 0.1026 0.01 Ca = 0.2 , Na = 0.33
3 0.0067 0.1651 0.2134 0.01 Si = 0.65, Al = 0.34
4 0.0037 0.8176 0.232 0.01 Si = 0.65, Al = 0.34
5 0.6868 0.1093 0.3172 0.01 Si = 0.65, Al = 0.34
6 0.6822 0.8796 0.3472 0.01 Si = 0.65, Al = 0.34
7 0.0027 0.1295 0.9774 0.02 O = 1.00
8 0.5836 0.9936 0.2778 0.01 O = 1.00
9 0.8128 0.1067 0.1902 0.02 O = 1.00
10 0.8176 0.8526 0.2474 0.03 O = 1.00
11 0.0149 0.2936 0.2774 0.02 O = 1.00
12 0.0166 0.6887 0.2174 0.02 O = 1.00
13 0.1989 0.1084 0.3848 0.01 O = 1.00
14 0.1887 0.8669 0.4304 0.02 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2673 0.9799 0.1662
2 2 0.2718 0.0277 0.1026
3 3 0.0067 0.1651 0.2134
4 4 0.0037 0.8176 0.232
5 5 0.6868 0.1093 0.3172
6 6 0.6822 0.8796 0.3472
7 7 0.0027 0.1295 0.9774
8 8 0.5836 0.9936 0.2778
9 9 0.8128 0.1067 0.1902
10 10 0.8176 0.8526 0.2474
11 11 0.0149 0.2936 0.2774
12 12 0.0166 0.6887 0.2174
13 13 0.1989 0.1084 0.3848
14 14 0.1887 0.8669 0.4304
15 1 0.7327 0.0201 0.8338
16 2 0.7282 0.9723 0.8974
17 3 0.9933 0.8349 0.7866
18 4 0.9963 0.1824 0.768
19 5 0.3132 0.8907 0.6828
20 6 0.3178 0.1204 0.6528
21 7 0.9973 0.8705 0.0226
22 8 0.4164 0.0064 0.7222
23 9 0.1872 0.8933 0.8098
24 10 0.1824 0.1474 0.7526
25 11 0.9851 0.7064 0.7226
26 12 0.9834 0.3113 0.7826
27 13 0.8011 0.8916 0.6152
28 14 0.8113 0.1331 0.5696
29 1 0.2327 0.5201 0.8338
30 2 0.2282 0.4723 0.8974
31 3 0.4933 0.3349 0.7866
32 4 0.4963 0.6824 0.768
33 5 0.8132 0.3907 0.6828
34 6 0.8178 0.6204 0.6528
35 7 0.4973 0.3705 0.0226
36 8 0.9164 0.5064 0.7222
37 9 0.6872 0.3933 0.8098
38 10 0.6824 0.6474 0.7526
39 11 0.4851 0.2064 0.7226
40 12 0.4834 0.8113 0.7826
41 13 0.3011 0.3916 0.6152
42 14 0.3113 0.6331 0.5696
43 1 0.7673 0.4799 0.1662
44 2 0.7718 0.5277 0.1026
45 3 0.5067 0.6651 0.2134
46 4 0.5037 0.3176 0.232
47 5 0.1868 0.6093 0.3172
48 6 0.1822 0.3796 0.3472
49 7 0.5027 0.6295 0.9774
50 8 0.0836 0.4936 0.2778
51 9 0.3128 0.6067 0.1902
52 10 0.3176 0.3526 0.2474
53 11 0.5149 0.7936 0.2774
54 12 0.5166 0.1887 0.2174
55 13 0.6989 0.6084 0.3848
56 14 0.6887 0.3669 0.4304
X-ray density (g/cm cub.) = 2.68
MU (1/cm) = 106.236 Mass attenuation coefficient (cm**2/g) = 39.647
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 2.88 6
2.8036 7
2.3427 8
2.4231 13
2.7293 14
2.3921 7
2.5023 9
2 Ca ,Na 2.88 7
2.3877 7
2.3372 8
2.4953 13
2.8593 7
2.4631 9
2.8178 10
2.7029 12
3 Si ,Al 2.316 4
1.6955 7
1.6891 9
1.6758 11
1.6973 13
4 Si ,Al 2.316 4
1.6272 10
1.6561 12
1.6371 14
1.6535 7
5 Si ,Al 2.316 4
1.6558 8
1.6382 9
1.6322 14
1.6347 12
6 Si ,Al 2.316 4
1.6603 8
1.5801 10
1.7093 13
1.6347 11
7 O 3.264 6
2.6255 9
2.869 11
2.6479 13
2.6198 10
2.7551 12
2.6174 14
8 O 3.264 6
2.6743 9
2.6898 10
2.6865 13
2.6668 14
2.6286 11
2.581 12
9 O 3.264 6
2.6255 7
2.6743 8
2.7927 11
2.8231 13
2.7002 14
2.7079 12
10 O 3.264 7
2.6898 8
2.7038 12
2.7158 14
2.6198 7
2.6904 13
3.2328 12
2.6852 11
11 O 3.264 6
2.869 7
2.7927 9
2.7672 13
2.7359 13
2.6286 8
2.6852 10
12 O 3.264 7
2.7038 10
2.6843 14
2.7551 7
3.2328 10
2.727 14
2.581 8
2.7079 9
13 O 3.264 7
2.6479 7
2.8231 9
2.7672 11
3.1407 14
2.6865 8
2.6904 10
2.7359 11
14 O 3.264 8
2.7158 10
2.6843 12
3.1407 13
2.6174 7
2.6668 8
2.7002 9
2.727 12
3.2316 14
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 6.893 13.786 0.078 135.9 2 23.8 34.8
2 0 2 0 6.913 13.826 0.078 135.09 2 11.4 8.0
3 0 0 1 6.959 13.917 0.079 133.3 2 10.0 6.1
4 1 1 0 7.045 14.091 0.08 129.98 2 9.2 5.0
5 -1 -1 1 7.589 15.179 0.086 111.71 2 19.4 19.0
6 -1 1 1 7.876 15.753 0.089 103.55 2 15.7 11.5
7 0 -2 1 9.491 18.981 0.107 70.64 2 24.1 18.5
8 0 2 1 10.164 20.329 0.115 61.31 2 0.8 0.0
9 -2 0 1 11.015 22.03 0.124 51.89 2 137.0 440.7
10 1 -1 1 11.446 22.892 0.129 47.9 2 65.9 94.2
11 1 1 1 11.826 23.652 0.133 44.74 2 85.8 149.0
12 -1 3 0 11.931 23.861 0.134 43.92 2 104.1 215.5
13 2 0 0 12.165 24.33 0.137 42.16 2 3.1 0.2
14 1 3 0 12.2 24.401 0.137 41.91 2 93.5 165.6
15 -1 -3 1 12.259 24.517 0.138 41.49 2 60.2 68.0
16 -1 3 1 12.801 25.601 0.144 37.88 2 20.1 6.9
17 -1 -1 2 12.815 25.63 0.144 37.79 2 68.6 80.4
18 -2 -2 1 12.96 25.92 0.146 36.9 2 35.9 21.6
19 -2 2 1 13.141 26.282 0.148 35.84 2 11.1 2.0
20 -1 1 2 13.247 26.494 0.149 35.24 2 82.6 108.8
21 -2 2 0 13.888 27.776 0.156 31.88 2 132.5 253.4
22 0 4 0 13.929 27.859 0.156 31.68 2 152.2 332.1
23 -2 0 2 13.93 27.861 0.156 31.67 2 174.8 437.9
24 0 0 2 14.022 28.045 0.157 31.23 2 197.7 552.2
25 2 2 0 14.2 28.4 0.159 30.4 2 125.0 214.9
26 1 -3 1 14.856 29.712 0.166 27.61 2 99.8 124.5
27 0 -4 1 15.192 30.384 0.17 26.32 2 101.5 122.6
28 0 -2 2 15.256 30.513 0.171 26.08 2 83.8 82.8
29 -2 -2 2 15.316 30.633 0.171 25.86 2 70.4 57.9
30 1 3 1 15.741 31.481 0.176 24.39 2 104.7 121.0
31 -1 -3 2 15.879 31.758 0.178 23.93 2 62.5 42.3
32 -2 2 2 15.907 31.814 0.178 23.84 2 20.4 4.5
33 0 4 1 16.065 32.131 0.18 23.33 2 14.1 2.1
34 0 2 2 16.127 32.253 0.18 23.14 2 11.1 1.3
35 2 0 1 16.605 33.21 0.185 21.72 2 3.2 0.1
36 -3 -1 1 16.881 33.761 0.188 20.96 2 12.5 1.5
37 -3 1 1 16.886 33.772 0.189 20.95 2 13.1 1.6
38 -1 3 2 16.93 33.86 0.189 20.83 2 83.9 66.4
39 2 -2 1 17.745 35.49 0.198 18.8 2 44.4 16.7
40 -2 -4 1 17.762 35.524 0.198 18.76 2 130.9 145.3
41 -3 -1 2 17.804 35.609 0.198 18.66 2 56.0 26.5
42 1 -1 2 17.826 35.652 0.199 18.61 2 49.9 21.0
43 -3 1 2 18.003 36.006 0.201 18.21 2 32.9 8.9
44 -2 4 1 18.034 36.068 0.201 18.14 2 111.1 101.4
45 1 1 2 18.273 36.546 0.204 17.63 2 10.2 0.8
46 2 2 1 18.379 36.758 0.205 17.4 2 45.3 16.2
47 -2 4 0 18.415 36.83 0.205 17.33 2 41.7 13.6
48 -1 5 0 18.439 36.878 0.205 17.28 2 28.2 6.2
49 -1 -5 1 18.596 37.192 0.207 16.96 2 59.2 26.9
50 -3 1 0 18.679 37.359 0.208 16.79 2 51.9 20.4
51 1 5 0 18.743 37.486 0.209 16.67 2 14.0 1.5
52 3 1 0 18.86 37.721 0.21 16.44 2 48.0 17.1
53 2 4 0 18.9 37.8 0.21 16.36 2 54.9 22.4
54 -1 5 1 19.22 38.441 0.214 15.77 2 47.1 15.8
55 0 -4 2 19.255 38.51 0.214 15.7 2 4.7 0.2
56 -2 0 3 19.256 38.513 0.214 15.7 2 13.2 1.2
57 -1 -1 3 19.398 38.796 0.216 15.45 2 21.4 3.2
58 -2 -4 2 19.421 38.843 0.216 15.41 2 13.3 1.2
59 -3 -3 1 19.665 39.329 0.218 14.99 2 80.2 43.6
60 -3 3 1 19.679 39.358 0.219 14.96 2 65.5 29.1
61 -1 1 3 19.877 39.753 0.221 14.64 2 60.7 24.4
62 1 -3 2 20.099 40.199 0.223 14.28 2 29.4 5.6
63 -2 -2 3 20.145 40.289 0.224 14.21 2 2.3 0.0
64 -3 -3 2 20.307 40.613 0.225 13.96 2 18.5 2.2
65 1 -5 1 20.362 40.724 0.226 13.87 2 62.7 24.7
66 -2 4 2 20.378 40.756 0.226 13.85 2 40.8 10.4
67 0 4 2 20.667 41.335 0.229 13.42 2 45.8 12.7
68 -3 3 2 20.837 41.674 0.231 13.17 2 21.9 2.8
69 -2 2 3 20.955 41.91 0.232 13.01 2 50.0 14.7
70 -1 -5 2 21.091 42.182 0.234 12.82 2 34.0 6.7
71 -3 3 0 21.102 42.205 0.234 12.81 2 28.6 4.7
72 0 6 0 21.167 42.334 0.234 12.72 2 100.0 57.5
73 1 3 2 21.294 42.588 0.236 12.55 2 18.4 1.9
74 -3 -1 3 21.306 42.612 0.236 12.53 2 14.0 1.1
75 0 0 3 21.312 42.625 0.236 12.53 2 22.1 2.8
76 2 -4 1 21.396 42.793 0.237 12.42 2 107.2 64.5
77 -1 -3 3 21.472 42.944 0.238 12.32 2 19.2 2.0
78 1 5 1 21.486 42.973 0.238 12.3 2 87.2 42.3
79 3 3 0 21.59 43.181 0.239 12.17 2 34.5 6.5
80 -3 1 3 21.643 43.286 0.239 12.1 2 40.4 8.9
81 0 -6 1 21.901 43.802 0.242 11.78 2 8.9 0.4
82 0 -2 3 22.027 44.053 0.243 11.63 2 3.2 0.1
83 -4 0 2 22.465 44.931 0.248 11.13 2 53.4 14.4
84 -1 5 2 22.469 44.937 0.248 11.12 2 40.1 8.1
85 2 4 1 22.475 44.949 0.248 11.11 2 31.5 5.0
86 -4 0 1 22.557 45.113 0.249 11.02 2 63.1 19.8
87 2 0 2 22.648 45.296 0.25 10.92 2 36.4 6.6
88 -1 3 3 22.775 45.551 0.251 10.79 2 47.6 11.0
89 3 -1 1 22.797 45.595 0.252 10.76 2 46.9 10.7
90 0 6 1 22.866 45.732 0.252 10.69 2 70.4 24.0
91 0 2 3 22.988 45.976 0.254 10.56 2 23.5 2.6
92 3 1 1 23.109 46.217 0.255 10.44 2 46.9 10.4
93 -3 -3 3 23.342 46.684 0.257 10.2 2 27.5 3.5
94 -2 -4 3 23.376 46.751 0.258 10.17 2 23.4 2.5
95 2 -2 2 23.384 46.769 0.258 10.16 2 66.3 20.2
96 -4 -2 2 23.509 47.018 0.259 10.04 2 65.5 19.5
97 -4 2 1 23.66 47.319 0.26 9.89 2 6.2 0.2
98 -4 2 2 23.726 47.452 0.261 9.83 2 110.3 54.1
99 -4 -2 1 23.751 47.503 0.261 9.81 2 26.3 3.1
100 -2 -6 1 23.952 47.903 0.264 9.62 2 23.8 2.5
101 2 2 2 24.197 48.395 0.266 9.4 2 102.1 44.3
102 -2 6 1 24.272 48.543 0.267 9.34 2 2.4 0.0
103 -3 3 3 24.275 48.549 0.267 9.33 2 7.4 0.2
104 -2 6 0 24.422 48.844 0.268 9.21 2 89.1 33.1
105 -3 -5 1 24.437 48.873 0.269 9.19 2 43.8 8.0
106 -3 5 1 24.457 48.913 0.269 9.18 2 38.5 6.2
107 1 -5 2 24.46 48.92 0.269 9.17 2 6.6 0.2
108 -4 0 3 24.672 49.345 0.271 9.0 2 126.7 65.3
109 3 -3 1 24.745 49.49 0.272 8.94 2 39.4 6.3
110 -2 4 3 24.805 49.611 0.272 8.89 2 38.7 6.0
111 -3 -5 2 24.831 49.663 0.273 8.87 2 0.2 0.0
112 0 -6 2 24.897 49.794 0.273 8.81 2 76.3 23.2
113 1 -1 3 24.91 49.82 0.273 8.8 2 68.4 18.6
114 4 0 0 24.927 49.854 0.274 8.79 2 141.8 80.0
115 0 -4 3 24.968 49.937 0.274 8.76 2 66.9 17.7
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 1 0 6.893 13.786 6.41838 42.7 5.6 5.6 5.6
2 -1 -1 1 7.589 15.179 5.83221 19.0 2.5 2.5 5.6
3 -1 1 1 7.876 15.753 5.62098 11.5 1.5 1.5 5.6
4 0 -2 1 9.491 18.981 4.67158 18.5 2.4 2.4 5.6
5 -2 0 1 11.015 22.03 4.03156 440.7 57.2 57.5 5.6
6 1 -1 1 11.446 22.892 3.88152 94.2 12.2 12.3 5.6
7 1 1 1 11.826 23.652 3.75856 149.0 19.4 19.4 5.6
8 -1 3 0 11.931 23.861 3.7261 215.5 28.0 28.1 5.6
9 1 3 0 12.2 24.401 3.64491 165.6 21.5 21.6 5.6
10 -1 -3 1 12.259 24.517 3.62783 68.0 8.8 8.9 5.6
11 -1 -1 2 12.815 25.63 3.47278 87.4 11.3 11.4 5.6
12 -2 -2 1 12.96 25.92 3.43458 21.6 2.8 2.8 5.6
13 -1 1 2 13.247 26.494 3.36144 108.8 14.1 14.1 5.6
14 -2 2 0 13.888 27.776 3.20919 253.4 32.9 32.9 5.6
15 -2 0 2 13.93 27.861 3.19958 770.0 100.0 100.0 5.6
16 0 0 2 14.022 28.045 3.17901 552.2 71.7 71.7 5.6
17 2 2 0 14.2 28.4 3.14001 214.9 27.9 27.9 5.6
18 1 -3 1 14.856 29.712 3.0043 124.5 16.2 16.1 5.6
19 0 -4 1 15.192 30.384 2.9394 122.6 15.9 15.9 5.6
20 0 -2 2 15.256 30.513 2.92726 82.8 10.8 10.7 5.6
21 -2 -2 2 15.316 30.633 2.91611 57.9 7.5 7.5 5.6
22 1 3 1 15.741 31.481 2.83941 121.0 15.7 15.7 5.6
23 -1 -3 2 15.879 31.758 2.81531 46.8 6.1 6.1 5.6
24 -1 3 2 16.93 33.86 2.64519 66.4 8.6 8.6 5.7
25 -2 -4 1 17.762 35.524 2.52496 162.1 21.0 20.9 5.7
26 -3 -1 2 17.804 35.609 2.51917 47.5 6.2 6.1 5.7
27 -3 1 2 18.003 36.006 2.49226 8.9 1.2 1.1 5.7
28 -2 4 1 18.034 36.068 2.48812 101.4 13.2 13.1 5.7
29 2 2 1 18.379 36.758 2.44303 16.2 2.1 2.1 5.7
30 -2 4 0 18.415 36.83 2.43841 19.9 2.6 2.6 5.7
31 -1 -5 1 18.596 37.192 2.41545 26.9 3.5 3.5 5.7
32 -3 1 0 18.679 37.359 2.40507 20.4 2.7 2.6 5.7
33 3 1 0 18.86 37.721 2.38281 17.1 2.2 2.2 5.7
34 2 4 0 18.9 37.8 2.37801 22.4 2.9 2.9 5.7
35 -1 5 1 19.22 38.441 2.33984 15.8 2.1 2.0 5.7
36 -3 -3 1 19.665 39.329 2.289 72.7 9.4 9.3 5.7
37 -1 1 3 19.877 39.753 2.26556 24.4 3.2 3.1 5.7
38 1 -5 1 20.362 40.724 2.21379 35.1 4.6 4.5 5.7
39 0 4 2 20.667 41.335 2.18245 12.7 1.7 1.6 5.7
40 -2 2 3 20.955 41.91 2.15383 14.7 1.9 1.9 5.7
41 -1 -5 2 21.091 42.182 2.14054 11.4 1.5 1.5 5.7
42 0 6 0 21.167 42.334 2.13322 57.5 7.5 7.4 5.7
43 2 -4 1 21.396 42.793 2.11141 64.5 8.4 8.3 5.7
44 1 5 1 21.486 42.973 2.10298 44.3 5.8 5.7 5.7
45 -3 1 3 21.643 43.286 2.08849 8.9 1.2 1.1 5.7
46 -4 0 2 22.465 44.931 2.01578 27.5 3.6 3.5 5.7
47 -4 0 1 22.557 45.113 2.00805 19.8 2.6 2.5 5.7
48 -1 3 3 22.775 45.551 1.98977 21.8 2.8 2.8 5.7
49 0 6 1 22.866 45.732 1.9823 24.0 3.1 3.1 5.7
50 3 1 1 23.109 46.217 1.96262 10.4 1.3 1.3 5.7
51 2 -2 2 23.384 46.769 1.94076 22.7 2.9 2.9 5.7
52 -4 -2 2 23.509 47.018 1.93103 19.5 2.5 2.5 5.7
53 -4 2 2 23.726 47.452 1.9144 57.2 7.4 7.3 5.7
54 2 2 2 24.197 48.395 1.87928 44.3 5.8 5.6 5.7
55 -2 6 0 24.422 48.844 1.86305 41.1 5.3 5.2 5.7
56 -4 0 3 24.672 49.345 1.84529 65.3 8.5 8.3 5.7
57 0 -6 2 24.897 49.794 1.82969 41.8 5.4 5.3 5.7
58 4 0 0 24.927 49.854 1.82765 80.0 10.4 10.2 5.7
59 0 -4 3 24.968 49.937 1.8248 17.7 2.3 2.3 5.7
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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