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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CUMMINGTONITE
2, f-amphiboles, sf-Mg-Fe-amphiboles, s-cummingtonite
Ca(0.24)Mn(2.41)Mg(4.2)Fe(0.15)Si(8)O(22)(OH)(2)
Monoclinic C 2/m Z = 2
R =0.047 NR =1212
24 .4 .1990
Ref.Str.:
S.Ghose, Y.Hexiong (1989)
* Amer. Mineral., 74, 1091-1096
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.605 alpha = 90.0
b = 18.124 beta = 102.64
c = 5.325 gamma = 90.0
Unit cell volume (cub. angs.) = 904.52
Molar volume ( cub.cm/mol.) = 272.41
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0868 0.5 0.0 Mg = 0.85, Mn = 0.15
2 0.0 0.1769 0.0 0.0 Mg = 0.89, Mn = 0.11
3 0.0 0.0 0.0 0.0 Mg = 0.94, Mn = 0.06
4 0.0 0.2635 0.5 0.0 Mn = 0.84, Ca = 0.12, Mg = 0.04
5 0.2951 0.1699 0.7839 0.0 Si = 1.00
6 0.2868 0.0842 0.2776 0.0 Si = 1.00
7 0.1143 0.086 0.2122 0.0 O = 1.00
8 0.1214 0.1721 0.7179 0.0 O = 1.00
9 0.1135 0.0 0.7122 0.0 O = 1.00
10 0.3745 0.247 0.7759 0.0 O = 1.00
11 0.3492 0.1298 0.0655 0.0 O = 1.00
12 0.3494 0.1215 0.5575 0.0 O = 1.00
13 0.3444 0.0 0.2803 0.0 O = 1.00
14 0.195 0.0 0.787 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0868 0.5
2 2 0.0 0.1769 0.0
3 3 0.0 0.0 0.0
4 4 0.0 0.2635 0.5
5 5 0.2951 0.1699 0.7839
6 6 0.2868 0.0842 0.2776
7 7 0.1143 0.086 0.2122
8 8 0.1214 0.1721 0.7179
9 9 0.1135 0.0 0.7122
10 10 0.3745 0.247 0.7759
11 11 0.3492 0.1298 0.0655
12 12 0.3494 0.1215 0.5575
13 13 0.3444 0.0 0.2803
14 14 0.195 0.0 0.787
15 1 0.0 0.9132 0.5
16 2 0.0 0.8231 0.0
17 4 0.0 0.7365 0.5
18 5 0.7049 0.8301 0.2161
19 6 0.7132 0.9158 0.7224
20 7 0.8857 0.914 0.7878
21 8 0.8786 0.8279 0.2821
22 9 0.8865 0.0 0.2878
23 10 0.6255 0.753 0.2241
24 11 0.6508 0.8702 0.9345
25 12 0.6506 0.8785 0.4425
26 13 0.6556 0.0 0.7197
27 14 0.805 0.0 0.213
28 5 0.2951 0.8301 0.7839
29 6 0.2868 0.9158 0.2776
30 7 0.1143 0.914 0.2122
31 8 0.1214 0.8279 0.7179
32 10 0.3745 0.753 0.7759
33 11 0.3492 0.8702 0.0655
34 12 0.3494 0.8785 0.5575
35 5 0.7049 0.1699 0.2161
36 6 0.7132 0.0842 0.7224
37 7 0.8857 0.086 0.7878
38 8 0.8786 0.1721 0.2821
39 10 0.6255 0.247 0.2241
40 11 0.6508 0.1298 0.9345
41 12 0.6506 0.1215 0.4425
42 1 0.5 0.4132 0.5
43 2 0.5 0.3231 0.0
44 3 0.5 0.5 0.0
45 4 0.5 0.2365 0.5
46 5 0.7951 0.3301 0.7839
47 6 0.7868 0.4158 0.2776
48 7 0.6143 0.414 0.2122
49 8 0.6214 0.3279 0.7179
50 9 0.6135 0.5 0.7122
51 10 0.8745 0.253 0.7759
52 11 0.8492 0.3702 0.0655
53 12 0.8494 0.3785 0.5575
54 13 0.8444 0.5 0.2803
55 14 0.695 0.5 0.787
56 1 0.5 0.5868 0.5
57 2 0.5 0.6769 0.0
58 4 0.5 0.7635 0.5
59 5 0.2049 0.6699 0.2161
60 6 0.2132 0.5842 0.7224
61 7 0.3857 0.586 0.7878
62 8 0.3786 0.6721 0.2821
63 9 0.3865 0.5 0.2878
64 10 0.1255 0.747 0.2241
65 11 0.1508 0.6298 0.9345
66 12 0.1506 0.6215 0.4425
67 13 0.1556 0.5 0.7197
68 14 0.305 0.5 0.213
69 5 0.7951 0.6699 0.7839
70 6 0.7868 0.5842 0.2776
71 7 0.6143 0.586 0.2122
72 8 0.6214 0.6721 0.7179
73 10 0.8745 0.747 0.7759
74 11 0.8492 0.6298 0.0655
75 12 0.8494 0.6215 0.5575
76 5 0.2049 0.3301 0.2161
77 6 0.2132 0.4158 0.7224
78 7 0.3857 0.414 0.7878
79 8 0.3786 0.3279 0.2821
80 10 0.1255 0.253 0.2241
81 11 0.1508 0.3702 0.9345
82 12 0.1506 0.3785 0.4425
X-ray density (g/cm cub.) = 3.13
MU (1/cm) = 134.576 Mass attenuation coefficient (cm**2/g) = 42.963
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Mn 2.724 6
2.0714 7
2.1222 8
2.0979 9
2.0979 9
2.0714 7
2.1222 8
2 Mg ,Mn 2.724 6
2.1572 7
2.0953 8
2.1572 7
2.0953 8
2.0371 10
2.0371 10
3 Mg ,Mn 2.724 6
2.0901 7
2.066 9
2.0901 7
2.066 9
2.0901 7
2.0901 7
4 Mn ,Ca ,Mg 2.88 6
2.2041 8
2.2041 8
2.103 10
2.5931 12
2.103 10
2.5931 12
5 Si 2.1 4
1.6285 8
1.597 10
1.6449 11
1.6644 12
6 Si 2.1 4
1.6171 7
1.6168 11
1.6272 12
1.6222 13
7 O 3.264 12
3.1001 8
3.0735 8
3.0866 9
3.0837 9
2.665 11
2.6602 12
2.6636 13
2.7865 9
3.1173 7
2.7851 7
2.8404 8
3.0288 10
8 O 3.264 11
3.0735 7
3.1001 7
3.12 9
2.7422 10
2.6512 11
2.6805 12
2.8404 7
2.9078 8
2.8618 10
3.0612 10
3.0184 10
9 O 3.264 9
3.0837 7
3.0866 7
3.12 8
2.7865 7
2.7757 9
3.0837 7
3.0866 7
3.12 8
2.7865 7
10 O 3.264 8
2.7422 8
2.667 11
2.542 12
2.9984 10
2.8618 8
3.0288 7
3.0612 8
3.0184 8
11 O 3.264 8
2.665 7
2.6512 8
2.667 10
2.6238 12
2.7097 12
2.6206 13
3.1246 11
3.1448 12
12 O 3.264 8
2.6602 7
2.6805 8
2.542 10
2.7097 11
2.6238 11
2.6456 13
3.1448 11
3.0854 12
13 O 3.264 6
2.6636 7
2.6206 11
2.6456 12
2.6636 7
2.6206 11
2.6456 12
14 H 1.632 1
0.7969 9
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 5.665 11.329 0.055 202.31 2 79.7 314.4
2 1 1 0 6.168 12.336 0.06 170.28 4 65.7 358.9
3 0 0 1 9.913 19.825 0.096 64.57 2 63.2 63.1
4 1 3 0 10.146 20.291 0.098 61.54 4 35.9 38.7
5 1 1 -1 10.624 21.247 0.103 55.94 4 65.1 116.1
6 2 0 0 11.004 22.008 0.107 52.0 2 0.3 0.0
7 0 4 0 11.385 22.771 0.11 48.43 2 77.3 70.7
8 0 2 1 11.446 22.891 0.111 47.9 4 22.8 12.1
9 2 2 0 12.409 24.818 0.12 40.44 4 70.7 98.9
10 1 1 1 12.705 25.41 0.123 38.49 4 36.3 24.8
11 2 0 -1 13.141 26.282 0.127 35.84 2 57.6 29.1
12 1 3 -1 13.37 26.74 0.129 34.55 4 93.3 146.9
13 2 2 -1 14.35 28.701 0.139 29.73 4 22.3 7.2
14 1 3 1 15.099 30.198 0.146 26.67 4 139.9 255.2
15 0 4 1 15.184 30.369 0.146 26.35 4 43.4 24.3
16 1 5 0 15.342 30.683 0.148 25.77 4 15.3 3.0
17 2 4 0 15.938 31.876 0.153 23.74 4 147.1 251.0
18 2 0 1 16.477 32.954 0.159 22.09 2 64.7 22.6
19 3 1 0 16.89 33.78 0.162 20.93 4 183.5 344.5
20 0 6 0 17.224 34.449 0.166 20.06 2 47.6 11.1
21 2 2 1 17.477 34.953 0.168 19.43 4 153.2 223.0
22 2 4 -1 17.523 35.047 0.168 19.32 4 44.1 18.4
23 1 5 -1 17.701 35.401 0.17 18.9 4 68.3 43.2
24 3 1 -1 17.704 35.407 0.17 18.89 4 25.9 6.2
25 3 3 0 18.804 37.608 0.18 16.55 4 91.8 68.2
26 1 5 1 19.077 38.154 0.183 16.03 4 253.1 502.0
27 3 3 -1 19.548 39.097 0.187 15.19 4 90.5 60.8
28 1 1 -2 19.886 39.772 0.19 14.62 4 34.2 8.4
29 0 6 1 20.03 40.06 0.191 14.39 4 167.9 198.2
30 0 0 2 20.139 40.277 0.192 14.22 2 77.1 20.7
31 2 4 1 20.217 40.433 0.193 14.09 4 32.5 7.3
32 2 6 0 20.628 41.256 0.197 13.47 4 55.8 20.5
33 2 0 -2 20.809 41.619 0.199 13.21 2 314.7 319.9
34 0 2 2 20.987 41.975 0.2 12.96 4 51.5 16.8
35 1 7 0 21.002 42.005 0.2 12.94 4 9.4 0.6
36 1 3 -2 21.572 43.145 0.206 12.19 4 8.9 0.5
37 3 1 1 21.608 43.217 0.206 12.14 4 23.6 3.3
38 2 2 -2 21.636 43.273 0.206 12.11 4 51.6 15.8
39 2 6 -1 21.921 43.841 0.209 11.76 4 24.8 3.5
40 3 5 0 22.208 44.417 0.211 11.42 4 71.0 28.1
41 1 1 2 22.339 44.677 0.212 11.27 4 6.1 0.2
42 4 0 0 22.442 44.884 0.213 11.15 2 12.1 0.4
43 4 0 -1 22.513 45.026 0.214 11.07 2 42.9 5.0
44 1 7 -1 22.859 45.717 0.217 10.7 4 111.7 65.2
45 3 5 -1 22.861 45.722 0.217 10.7 4 153.7 123.6
46 3 3 1 23.193 46.386 0.22 10.35 4 27.5 3.8
47 4 2 0 23.223 46.445 0.22 10.32 4 37.8 7.2
48 0 8 0 23.255 46.509 0.221 10.29 2 66.5 11.1
49 4 2 -1 23.292 46.583 0.221 10.25 4 127.5 81.5
50 0 4 2 23.383 46.765 0.222 10.16 4 11.7 0.7
51 3 1 -2 23.563 47.126 0.223 9.99 4 126.6 78.2
52 1 3 2 23.885 47.77 0.226 9.68 4 41.2 8.0
53 2 4 -2 23.98 47.961 0.227 9.6 4 76.1 27.2
54 1 7 1 23.988 47.976 0.227 9.59 4 100.0 46.9
55 2 6 1 24.207 48.414 0.229 9.39 4 214.8 212.0
56 1 5 -2 24.665 49.331 0.233 9.0 4 24.1 2.6
57 3 3 -2 25.051 50.102 0.237 8.69 4 61.2 15.9
58 2 0 2 25.381 50.762 0.24 8.43 2 221.6 101.3
59 4 4 0 25.453 50.906 0.24 8.38 4 40.1 6.6
60 0 8 1 25.513 51.026 0.241 8.34 4 57.7 13.5
61 4 4 -1 25.517 51.035 0.241 8.33 4 28.2 3.2
62 2 8 0 26.011 52.021 0.245 7.98 4 58.6 13.4
63 2 2 2 26.095 52.189 0.246 7.92 4 47.9 8.9
64 3 5 1 26.138 52.276 0.246 7.89 4 119.8 55.4
65 3 7 0 26.66 53.319 0.251 7.54 4 74.2 20.3
66 1 5 2 26.773 53.547 0.252 7.47 4 38.7 5.5
67 4 0 1 26.86 53.719 0.253 7.41 2 59.9 6.5
68 0 6 2 27.008 54.016 0.254 7.32 4 41.2 6.1
69 1 9 0 27.02 54.041 0.254 7.31 4 83.6 25.0
70 4 0 -2 27.045 54.091 0.254 7.3 2 168.1 50.4
71 2 8 -1 27.103 54.207 0.255 7.26 4 45.8 7.4
72 3 7 -1 27.231 54.463 0.256 7.19 4 58.2 11.9
73 4 2 1 27.546 55.092 0.259 7.0 4 32.7 3.7
74 2 6 -2 27.548 55.095 0.259 7.0 4 37.9 4.9
75 4 2 -2 27.729 55.457 0.26 6.9 4 62.7 13.3
76 3 5 -2 27.852 55.703 0.261 6.83 4 70.0 16.3
77 2 4 2 28.158 56.317 0.264 6.66 4 28.9 2.7
78 5 1 -1 28.236 56.472 0.264 6.62 4 15.4 0.8
79 1 9 -1 28.579 57.158 0.267 6.44 4 127.9 51.5
80 5 1 0 28.668 57.336 0.268 6.39 4 88.9 24.7
81 1 7 -2 28.836 57.671 0.27 6.31 4 37.9 4.4
82 4 6 0 28.89 57.78 0.27 6.28 4 50.9 8.0
83 4 6 -1 28.949 57.898 0.271 6.26 4 58.4 10.4
84 2 8 1 29.087 58.174 0.272 6.19 4 48.9 7.2
85 4 4 1 29.541 59.082 0.276 5.98 4 29.2 2.5
86 1 9 1 29.549 59.099 0.276 5.97 4 48.5 6.9
87 5 3 -1 29.555 59.111 0.276 5.97 4 36.9 4.0
88 0 10 0 29.572 59.145 0.276 5.96 2 35.1 1.8
89 4 4 -2 29.716 59.432 0.277 5.9 4 134.1 51.8
90 3 1 2 29.741 59.481 0.277 5.89 4 4.8 0.1
91 5 3 0 29.975 59.951 0.279 5.78 4 74.8 15.8
92 3 7 1 30.167 60.334 0.281 5.7 4 8.8 0.2
93 1 1 -3 30.44 60.88 0.283 5.59 4 28.8 2.3
94 2 0 -3 30.657 61.315 0.285 5.5 2 50.3 3.4
95 1 7 2 30.747 61.494 0.286 5.47 4 26.4 1.9
96 3 3 2 31.02 62.04 0.288 5.36 4 16.3 0.7
97 0 0 3 31.094 62.187 0.289 5.33 2 57.1 4.3
98 2 2 -3 31.29 62.58 0.29 5.26 4 64.1 10.6
99 2 6 2 31.398 62.795 0.291 5.22 4 42.2 4.5
100 0 10 1 31.512 63.025 0.292 5.18 4 3.9 0.0
101 0 8 2 31.591 63.182 0.293 5.15 4 106.5 28.6
102 1 3 -3 31.703 63.406 0.294 5.11 4 128.1 41.0
103 0 2 3 31.721 63.442 0.294 5.1 4 88.9 19.7
104 3 7 -2 31.738 63.476 0.294 5.1 4 64.5 10.4
105 5 1 -2 31.742 63.484 0.294 5.1 4 133.3 44.3
106 3 9 0 31.901 63.802 0.295 5.04 4 23.7 1.4
107 2 10 0 31.948 63.896 0.296 5.02 4 12.1 0.4
108 2 8 -2 32.081 64.163 0.297 4.98 4 91.7 20.5
109 5 5 -1 32.093 64.187 0.297 4.97 4 83.4 16.9
110 3 1 -3 32.355 64.711 0.299 4.89 4 34.6 2.9
111 3 9 -1 32.414 64.827 0.3 4.87 4 35.0 2.9
112 5 5 0 32.494 64.988 0.3 4.84 4 3.7 0.0
113 4 6 1 32.697 65.394 0.302 4.78 4 273.1 174.2
114 4 6 -2 32.862 65.724 0.303 4.73 4 42.7 4.2
115 2 10 -1 32.913 65.827 0.304 4.71 4 6.5 0.1
116 5 1 1 32.943 65.887 0.304 4.7 4 2.9 0.0
117 5 3 -2 32.977 65.954 0.304 4.69 4 24.4 1.4
118 2 4 -3 33.146 66.293 0.306 4.64 4 28.0 1.8
119 1 1 3 33.2 66.4 0.306 4.62 4 32.7 2.4
120 4 8 0 33.312 66.623 0.307 4.59 4 87.8 17.3
121 4 8 -1 33.366 66.732 0.307 4.58 4 27.6 1.7
122 1 11 0 33.449 66.899 0.308 4.55 4 176.5 69.3
123 3 5 2 33.494 66.989 0.308 4.54 4 32.7 2.4
124 0 4 3 33.565 67.13 0.309 4.52 4 16.4 0.6
125 3 3 -3 33.578 67.156 0.309 4.52 4 36.3 2.9
126 1 9 -2 33.867 67.735 0.312 4.43 4 22.2 1.1
127 6 0 -1 34.105 68.209 0.313 4.37 2 52.3 2.9
128 1 5 -3 34.151 68.301 0.314 4.36 4 236.0 118.7
129 5 3 1 34.155 68.311 0.314 4.36 4 0.8 0.0
130 1 3 3 34.407 68.815 0.316 4.29 4 22.3 1.0
131 4 0 2 34.56 69.12 0.317 4.25 2 162.7 27.5
132 2 10 1 34.696 69.392 0.318 4.22 4 104.9 22.7
133 6 2 -1 34.703 69.407 0.318 4.22 4 13.2 0.4
134 4 0 -3 34.827 69.654 0.319 4.19 2 43.2 1.9
135 1 11 -1 34.834 69.667 0.319 4.18 4 7.6 0.1
136 6 0 0 34.933 69.867 0.32 4.16 2 178.4 32.4
137 3 9 1 35.09 70.18 0.321 4.12 4 27.8 1.6
138 4 2 2 35.155 70.31 0.322 4.11 4 62.5 7.9
139 5 5 -2 35.38 70.76 0.324 4.06 4 13.2 0.3
140 4 2 -3 35.42 70.841 0.324 4.05 4 14.6 0.4
141 6 2 0 35.526 71.052 0.325 4.02 4 51.2 5.2
142 1 9 2 35.627 71.254 0.326 4.0 4 97.5 18.6
143 2 8 2 35.645 71.29 0.326 4.0 4 2.9 0.0
144 1 11 1 35.708 71.415 0.326 3.98 4 43.2 3.6
145 5 7 -1 35.713 71.426 0.326 3.98 4 16.6 0.5
146 3 5 -3 35.962 71.924 0.328 3.93 4 30.0 1.7
147 2 0 3 36.048 72.095 0.329 3.91 2 35.3 1.2
148 5 7 0 36.094 72.188 0.329 3.9 4 45.2 3.9
149 2 6 -3 36.132 72.264 0.33 3.89 4 223.2 94.8
150 0 12 0 36.315 72.63 0.331 3.85 2 282.8 75.4
151 6 4 -1 36.473 72.946 0.332 3.82 4 30.7 1.8
152 5 5 1 36.522 73.044 0.333 3.81 4 100.2 18.7
153 0 6 3 36.535 73.069 0.333 3.81 4 126.9 30.0
154 3 9 -2 36.551 73.101 0.333 3.81 4 10.9 0.2
155 2 2 3 36.632 73.265 0.334 3.79 4 51.2 4.9
156 1 5 3 36.767 73.534 0.335 3.76 4 23.7 1.0
157 4 8 1 36.87 73.741 0.335 3.74 4 63.8 7.4
158 6 0 -2 36.879 73.758 0.335 3.74 2 206.6 39.0
159 4 4 2 36.915 73.831 0.336 3.74 4 137.4 34.5
160 0 10 2 36.995 73.99 0.336 3.72 4 23.5 1.0
161 4 8 -2 37.027 74.053 0.337 3.71 4 83.1 12.5
162 3 7 2 37.049 74.097 0.337 3.71 4 57.5 6.0
163 4 4 -3 37.175 74.351 0.338 3.69 4 40.0 2.9
164 6 4 0 37.279 74.558 0.339 3.67 4 11.4 0.2
165 2 10 -2 37.452 74.903 0.34 3.64 4 30.8 1.7
166 6 2 -2 37.459 74.918 0.34 3.64 4 41.1 3.0
167 1 7 -3 37.678 75.356 0.342 3.6 4 117.3 24.2
168 3 11 0 37.861 75.722 0.343 3.57 4 119.3 24.8
169 0 12 1 38.078 76.157 0.345 3.53 4 19.7 0.7
170 3 11 -1 38.337 76.674 0.347 3.49 4 57.0 5.5
171 2 4 3 38.366 76.733 0.347 3.48 4 27.4 1.3
172 2 12 0 38.479 76.958 0.348 3.47 4 7.9 0.1
173 5 1 -3 38.587 77.173 0.349 3.45 4 10.6 0.2
174 4 10 0 38.604 77.208 0.349 3.45 4 9.6 0.2
175 4 10 -1 38.655 77.311 0.349 3.44 4 95.0 15.2
176 5 7 -2 38.862 77.724 0.351 3.41 4 17.8 0.5
177 6 4 -2 39.18 78.36 0.353 3.36 4 59.2 5.8
178 6 0 1 39.271 78.542 0.354 3.35 2 32.5 0.9
179 6 6 -1 39.353 78.706 0.354 3.34 4 343.6 192.8
180 2 12 -1 39.373 78.746 0.355 3.34 4 16.6 0.5
181 3 7 -3 39.425 78.851 0.355 3.33 4 44.1 3.2
182 1 11 -2 39.697 79.395 0.357 3.29 4 74.1 8.8
183 5 3 -3 39.727 79.453 0.357 3.29 4 42.1 2.8
184 4 6 2 39.784 79.569 0.358 3.28 4 19.9 0.6
185 6 2 1 39.839 79.679 0.358 3.28 4 73.5 8.6
186 5 7 1 39.969 79.938 0.359 3.26 4 30.5 1.5
187 4 6 -3 40.039 80.077 0.36 3.25 4 117.0 21.7
188 6 6 0 40.14 80.28 0.36 3.24 4 1.8 0.0
189 3 1 3 40.154 80.309 0.36 3.24 4 6.5 0.1
190 2 8 -3 40.157 80.315 0.36 3.24 4 54.5 4.7
191 1 7 3 40.207 80.414 0.361 3.23 4 41.9 2.8
192 5 9 -1 40.32 80.64 0.362 3.22 4 23.2 0.8
193 5 1 2 40.43 80.861 0.363 3.2 4 200.1 62.7
194 1 13 0 40.439 80.878 0.363 3.2 4 1.9 0.0
195 0 8 3 40.547 81.093 0.363 3.19 4 38.0 2.2
196 5 9 0 40.686 81.372 0.364 3.17 4 20.0 0.6
197 2 10 2 40.819 81.639 0.365 3.16 4 8.3 0.1
198 3 11 1 40.854 81.708 0.366 3.15 4 25.3 1.0
199 7 1 -1 40.863 81.726 0.366 3.15 4 3.7 0.0
200 2 12 1 41.044 82.089 0.367 3.13 4 29.0 1.3
201 2 6 3 41.205 82.411 0.368 3.12 4 146.6 32.7
202 3 3 3 41.283 82.567 0.369 3.11 4 4.9 0.0
203 1 11 2 41.366 82.731 0.369 3.1 4 155.7 36.8
204 6 4 1 41.533 83.067 0.371 3.08 4 24.7 0.9
205 5 3 2 41.558 83.116 0.371 3.08 4 103.3 16.1
206 3 9 2 41.608 83.216 0.371 3.08 4 11.7 0.2
207 1 13 -1 41.737 83.474 0.372 3.06 4 70.1 7.4
208 5 5 -3 41.984 83.967 0.374 3.04 4 105.8 16.6
209 7 3 -1 41.988 83.976 0.374 3.04 4 10.2 0.2
210 4 10 1 41.997 83.995 0.374 3.04 4 10.2 0.2
211 6 6 -2 42.006 84.012 0.374 3.04 4 56.5 4.7
212 7 1 0 42.058 84.116 0.374 3.03 4 97.5 14.1
213 4 10 -2 42.148 84.297 0.375 3.02 4 3.8 0.0
214 1 9 -3 42.219 84.437 0.376 3.02 4 64.0 6.0
215 3 11 -2 42.25 84.501 0.376 3.02 4 88.2 11.5
216 2 0 -4 42.306 84.613 0.376 3.01 2 112.6 9.3
217 1 1 -4 42.529 85.058 0.378 2.99 4 114.5 19.2
218 1 13 1 42.565 85.13 0.378 2.99 4 18.5 0.5
219 2 2 -4 42.867 85.733 0.38 2.96 4 42.0 2.6
220 6 0 -3 43.004 86.007 0.381 2.95 2 33.5 0.8
221 7 1 -2 43.086 86.172 0.382 2.95 4 71.4 7.3
222 7 3 0 43.178 86.357 0.383 2.94 4 46.3 3.1
223 0 12 2 43.238 86.476 0.383 2.94 4 142.4 29.1
224 6 8 -1 43.296 86.592 0.383 2.93 4 70.6 7.1
225 5 9 -2 43.374 86.747 0.384 2.93 4 106.5 16.2
226 3 1 -4 43.411 86.821 0.384 2.92 4 23.2 0.8
227 0 0 4 43.518 87.036 0.385 2.92 2 276.6 54.5
228 3 5 3 43.526 87.052 0.385 2.92 4 63.3 5.7
229 6 2 -3 43.563 87.125 0.385 2.91 4 71.8 7.3
230 1 3 -4 43.648 87.296 0.386 2.91 4 62.0 5.5
231 2 12 -2 43.678 87.357 0.386 2.91 4 283.3 114.0
232 0 14 0 43.704 87.408 0.386 2.9 2 53.7 2.0
233 4 8 2 43.72 87.441 0.386 2.9 4 0.8 0.0
234 5 5 2 43.799 87.597 0.387 2.9 4 54.8 4.3
235 3 9 -3 43.926 87.852 0.388 2.89 4 73.1 7.5
236 4 8 -3 43.971 87.941 0.388 2.89 4 44.7 2.8
237 6 8 0 44.07 88.141 0.389 2.88 4 71.5 7.2
238 0 2 4 44.077 88.154 0.389 2.88 4 43.8 2.7
239 7 3 -2 44.204 88.407 0.39 2.87 4 90.8 11.6
240 7 5 -1 44.226 88.453 0.39 2.87 4 127.4 22.8
241 6 6 1 44.333 88.666 0.391 2.86 4 78.9 8.7
242 5 9 1 44.46 88.92 0.392 2.86 4 38.2 2.0
243 3 3 -4 44.528 89.056 0.392 2.85 4 7.5 0.1
244 2 4 -4 44.543 89.087 0.392 2.85 4 117.6 19.3
245 3 13 0 44.633 89.266 0.393 2.85 4 9.4 0.1
246 1 9 3 44.695 89.39 0.393 2.84 4 70.6 6.9
247 4 12 0 44.797 89.595 0.394 2.84 4 94.1 12.3
248 4 12 -1 44.848 89.695 0.394 2.84 4 18.5 0.5
249 4 0 3 44.927 89.854 0.395 2.83 2 26.7 0.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 0 2 0 5.665 11.329 9.062 314.4 62.6 63.9 5.6
2 1 1 0 6.168 12.336 8.32499 358.9 71.5 72.9 5.6
3 0 0 1 9.913 19.825 5.19594 63.1 12.6 12.8 5.6
4 1 3 0 10.146 20.291 5.07781 38.7 7.7 7.8 5.6
5 1 1 -1 10.624 21.247 4.85175 116.1 23.1 23.4 5.6
6 0 4 0 11.385 22.771 4.531 70.7 14.1 14.3 5.6
7 0 2 1 11.446 22.891 4.50755 12.1 2.4 2.4 5.6
8 2 2 0 12.409 24.818 4.1625 98.9 19.7 19.9 5.6
9 1 1 1 12.705 25.41 4.06706 24.8 4.9 5.0 5.6
10 2 0 -1 13.141 26.282 3.93433 29.1 5.8 5.9 5.6
11 1 3 -1 13.37 26.74 3.86806 146.9 29.3 29.6 5.6
12 2 2 -1 14.35 28.701 3.60888 7.2 1.4 1.4 5.6
13 1 3 1 15.099 30.198 3.4338 255.2 50.8 51.2 5.6
14 0 4 1 15.184 30.369 3.41495 24.3 4.8 4.9 5.6
15 2 4 0 15.938 31.876 3.25736 251.0 50.0 50.3 5.6
16 2 0 1 16.477 32.954 3.15358 22.6 4.5 4.5 5.6
17 3 1 0 16.89 33.78 3.07867 344.5 68.6 68.9 5.7
18 0 6 0 17.224 34.449 3.02067 11.1 2.2 2.2 5.7
19 2 2 1 17.477 34.953 2.97839 223.0 44.4 44.6 5.7
20 2 4 -1 17.523 35.047 2.97071 18.4 3.7 3.7 5.7
21 1 5 -1 17.701 35.401 2.94187 49.3 9.8 9.9 5.7
22 3 3 0 18.804 37.608 2.775 68.2 13.6 13.6 5.7
23 1 5 1 19.077 38.154 2.7367 502.0 100.0 100.0 5.7
24 3 3 -1 19.548 39.097 2.6732 60.8 12.1 12.1 5.7
25 1 1 -2 19.886 39.772 2.62962 8.4 1.7 1.7 5.7
26 0 6 1 20.03 40.06 2.61144 198.2 39.5 39.4 5.7
27 0 0 2 20.139 40.277 2.59797 20.7 4.1 4.1 5.7
28 2 4 1 20.217 40.433 2.58837 7.3 1.4 1.4 5.7
29 2 6 0 20.628 41.256 2.5389 20.5 4.1 4.1 5.7
30 2 0 -2 20.809 41.619 2.51777 319.9 63.7 63.5 5.7
31 0 2 2 20.987 41.975 2.49737 17.4 3.5 3.4 5.7
32 2 2 -2 21.636 43.273 2.42588 19.1 3.8 3.8 5.7
33 3 5 0 22.208 44.417 2.36645 28.1 5.6 5.6 5.7
34 3 5 -1 22.861 45.722 2.30236 188.8 37.6 37.3 5.7
35 4 2 0 23.223 46.445 2.26845 7.2 1.4 1.4 5.7
36 0 8 0 23.255 46.509 2.2655 11.1 2.2 2.2 5.7
37 4 2 -1 23.292 46.583 2.26211 81.5 16.2 16.1 5.7
38 3 1 -2 23.563 47.126 2.23751 78.2 15.6 15.4 5.7
39 1 3 2 23.885 47.77 2.20907 8.0 1.6 1.6 5.7
40 1 7 1 23.988 47.976 2.20015 74.1 14.8 14.6 5.7
41 2 6 1 24.207 48.414 2.18141 212.0 42.2 41.8 5.7
42 3 3 -2 25.051 50.102 2.11243 15.9 3.2 3.1 5.7
43 2 0 2 25.381 50.762 2.08675 101.3 20.2 19.9 5.8
44 4 4 0 25.453 50.906 2.08125 6.6 1.3 1.3 5.8
45 0 8 1 25.513 51.026 2.07669 16.8 3.3 3.3 5.8
46 2 8 0 26.011 52.021 2.03965 13.4 2.7 2.6 5.8
47 2 2 2 26.095 52.189 2.03353 8.9 1.8 1.7 5.8
48 3 5 1 26.138 52.276 2.0304 55.4 11.0 10.9 5.8
49 3 7 0 26.66 53.319 1.9935 20.3 4.0 4.0 5.8
50 1 5 2 26.773 53.547 1.98565 5.5 1.1 1.1 5.8
51 4 0 1 26.86 53.719 1.97975 6.5 1.3 1.3 5.8
52 4 0 -2 27.045 54.091 1.96716 81.5 16.2 15.9 5.8
53 2 8 -1 27.103 54.207 1.96327 7.4 1.5 1.5 5.8
54 3 7 -1 27.231 54.463 1.95474 11.9 2.4 2.3 5.8
55 2 6 -2 27.548 55.095 1.93403 8.6 1.7 1.7 5.8
56 4 2 -2 27.729 55.457 1.92239 13.3 2.6 2.6 5.8
57 3 5 -2 27.852 55.703 1.91458 16.3 3.3 3.2 5.8
58 1 9 -1 28.579 57.158 1.8698 51.5 10.3 10.0 5.8
59 5 1 0 28.668 57.336 1.8645 24.7 4.9 4.8 5.8
60 4 6 0 28.89 57.78 1.85138 8.0 1.6 1.5 5.8
61 4 6 -1 28.949 57.898 1.84793 10.4 2.1 2.0 5.8
62 2 8 1 29.087 58.174 1.83994 7.2 1.4 1.4 5.8
63 5 3 -1 29.555 59.111 1.81334 15.1 3.0 2.9 5.8
64 4 4 -2 29.716 59.432 1.80444 51.9 10.3 10.1 5.8
65 5 3 0 29.975 59.951 1.79025 15.8 3.2 3.1 5.8
66 2 2 -3 31.29 62.58 1.72221 10.6 2.1 2.0 5.8
67 0 8 2 31.591 63.182 1.70748 28.6 5.7 5.5 5.9
68 1 3 -3 31.703 63.406 1.70206 60.7 12.1 11.7 5.9
69 5 1 -2 31.742 63.484 1.70018 54.7 10.9 10.6 5.9
70 2 8 -2 32.081 64.163 1.6841 37.4 7.5 7.2 5.9
71 4 6 1 32.697 65.394 1.65581 174.2 34.7 33.5 5.9
72 4 8 0 33.312 66.623 1.62868 17.3 3.4 3.3 5.9
73 1 11 0 33.449 66.899 1.62275 69.3 13.8 13.3 5.9
74 1 5 -3 34.151 68.301 1.59335 118.7 23.6 22.7 5.9
75 4 0 2 34.56 69.12 1.57679 27.5 5.5 5.3 5.9
76 2 10 1 34.696 69.392 1.57138 23.0 4.6 4.4 5.9
77 6 0 0 34.933 69.867 1.56204 32.4 6.4 6.2 5.9
78 4 2 2 35.155 70.31 1.55345 7.9 1.6 1.5 5.9
79 6 2 0 35.526 71.052 1.53933 5.2 1.0 1.0 5.9
80 1 9 2 35.627 71.254 1.53554 18.6 3.7 3.5 5.9
81 2 6 -3 36.132 72.264 1.51694 94.8 18.9 18.0 5.9
82 0 12 0 36.315 72.63 1.51033 75.4 15.0 14.3 6.0
83 0 6 3 36.535 73.069 1.50252 48.9 9.7 9.3 6.0
84 6 0 -2 36.879 73.758 1.49045 46.5 9.3 8.8 6.0
85 4 4 2 36.915 73.831 1.48919 34.5 6.9 6.5 6.0
86 4 8 -2 37.027 74.053 1.48535 18.5 3.7 3.5 6.0
87 1 7 -3 37.678 75.356 1.4634 24.2 4.8 4.6 6.0
88 3 11 0 37.861 75.722 1.45737 24.8 4.9 4.7 6.0
89 3 11 -1 38.337 76.674 1.44202 6.8 1.4 1.3 6.0
90 4 10 -1 38.655 77.311 1.43197 15.2 3.0 2.9 6.0
91 6 4 -2 39.18 78.36 1.41582 5.8 1.1 1.1 6.0
92 6 6 -1 39.353 78.706 1.41061 193.2 38.5 36.3 6.0
93 1 11 -2 39.697 79.395 1.40037 11.7 2.3 2.2 6.0
94 6 2 1 39.839 79.679 1.3962 8.6 1.7 1.6 6.0
95 4 6 -3 40.039 80.077 1.39041 21.7 4.3 4.1 6.0
96 5 1 2 40.43 80.861 1.37923 62.7 12.5 11.7 6.1
97 2 6 3 41.205 82.411 1.35779 32.7 6.5 6.1 6.1
98 1 11 2 41.366 82.731 1.35348 36.8 7.3 6.8 6.1
99 5 3 2 41.558 83.116 1.34835 16.1 3.2 3.0 6.1
100 1 13 -1 41.737 83.474 1.34361 7.4 1.5 1.4 6.1
101 5 5 -3 41.984 83.967 1.33717 21.7 4.3 4.0 6.1
102 7 1 0 42.058 84.116 1.33525 14.1 2.8 2.6 6.1
103 1 9 -3 42.219 84.437 1.33112 6.0 1.2 1.1 6.1
104 3 11 -2 42.25 84.501 1.33031 11.5 2.3 2.1 6.1
105 2 0 -4 42.306 84.613 1.32887 9.3 1.9 1.7 6.1
106 1 1 -4 42.529 85.058 1.32323 19.2 3.8 3.5 6.1
107 7 1 -2 43.086 86.172 1.30943 7.3 1.5 1.4 6.1
108 0 12 2 43.238 86.476 1.30572 29.1 5.8 5.4 6.1
109 6 8 -1 43.296 86.592 1.30433 7.1 1.4 1.3 6.1
110 5 9 -2 43.374 86.747 1.30245 16.2 3.2 3.0 6.1
111 0 0 4 43.518 87.036 1.29899 60.3 12.0 11.1 6.1
112 6 2 -3 43.563 87.125 1.29792 7.3 1.5 1.3 6.1
113 2 12 -2 43.678 87.357 1.29517 121.5 24.2 22.3 6.2
114 3 9 -3 43.926 87.852 1.28935 7.5 1.5 1.4 6.2
115 6 8 0 44.07 88.141 1.28599 9.9 2.0 1.8 6.2
116 7 5 -1 44.226 88.453 1.28239 34.3 6.8 6.3 6.2
117 6 6 1 44.333 88.666 1.27995 8.7 1.7 1.6 6.2
118 2 4 -4 44.543 89.087 1.27516 19.3 3.8 3.5 6.2
119 1 9 3 44.695 89.39 1.27175 6.9 1.4 1.3 6.2
120 4 12 0 44.797 89.595 1.26945 12.3 2.4 2.2 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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