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 ***
***********************
WODEGONGJIEITE
1, Pm-kokchetavite
KCa(3)[Al(7)Si(9)]O(32)
Hexagonal P 6/mcc Z = 2
P6/mcc
29 .8 .24
Ref.Str.:
E. Mugnaioli, F. Xiong, Xiangzhen Xu, M. Gemmi,
R. Wirth, Jingsui Yang, E.S. Grew (2011)
* Mineral. Mag., 86, 975-986, doi:10.1180/mgm.2022.107
L: $K0.58 Sr0.26 Ca2.25 Al7.20 Si8.80 O31.20$
R: Locality - Kangjinla district, Tibet, China.
IMA2020-036b. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.2 alpha = 90.0
b = 10.2 beta = 90.0
c = 14.9 gamma = 120.0
Unit cell volume (cub. angs.) = 1342.51
Molar volume ( cub.cm/mol.) = 404.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 0.0 K = 0.58, Sr = 0.16
2 0.5 0.0 0.25 0.0 Ca = 0.75, Sr = 0.04
3 0.3384 0.1244 0.8905 0.0 Si = 0.55, Al = 0.45
4 0.5131 0.1849 0.1492 0.0 O = 1.00
5 0.3342 0.1233 0.0 0.0 O = 1.00
6 0.6667 0.3333 0.1094 0.0 Si = 0.55, Al = 0.45
7 0.2411 0.9554 0.1534 0.0 O = 1.00
8 0.6667 0.3333 0.0 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.5 0.0 0.25
3 3 0.3384 0.1244 0.8905
4 4 0.5131 0.1849 0.1492
5 5 0.3342 0.1233 0.0
6 6 0.6667 0.3333 0.1094
7 7 0.2411 0.9554 0.1534
8 8 0.6667 0.3333 0.0
9 2 0.0 0.5 0.25
10 2 0.5 0.5 0.25
11 3 0.8756 0.214 0.8905
12 3 0.786 0.6616 0.8905
13 4 0.8151 0.3282 0.1492
14 4 0.6718 0.4869 0.1492
15 5 0.8767 0.2109 0.0
16 5 0.7891 0.6658 0.0
17 7 0.0446 0.2857 0.1534
18 7 0.7143 0.7589 0.1534
19 3 0.6616 0.8756 0.8905
20 4 0.4869 0.8151 0.1492
21 5 0.6658 0.8767 0.0
22 6 0.3333 0.6667 0.1094
23 7 0.7589 0.0446 0.1534
24 8 0.3333 0.6667 0.0
25 3 0.1244 0.786 0.8905
26 3 0.214 0.3384 0.8905
27 4 0.1849 0.6718 0.1492
28 4 0.3282 0.5131 0.1492
29 5 0.1233 0.7891 0.0
30 5 0.2109 0.3342 0.0
31 7 0.9554 0.7143 0.1534
32 7 0.2857 0.2411 0.1534
33 1 0.0 0.0 0.75
34 2 0.5 0.5 0.75
35 3 0.3384 0.214 0.3905
36 4 0.5131 0.3282 0.6492
37 5 0.3342 0.2109 0.5
38 6 0.6667 0.3333 0.6094
39 7 0.2411 0.2857 0.6534
40 8 0.6667 0.3333 0.5
41 2 0.0 0.5 0.75
42 2 0.5 0.0 0.75
43 3 0.8756 0.6616 0.3905
44 3 0.786 0.1244 0.3905
45 4 0.8151 0.4869 0.6492
46 4 0.6718 0.1849 0.6492
47 5 0.8767 0.6658 0.5
48 5 0.7891 0.1233 0.5
49 7 0.0446 0.7589 0.6534
50 7 0.7143 0.9554 0.6534
51 3 0.6616 0.786 0.3905
52 4 0.4869 0.6718 0.6492
53 5 0.6658 0.7891 0.5
54 6 0.3333 0.6667 0.6094
55 7 0.7589 0.7143 0.6534
56 8 0.3333 0.6667 0.5
57 3 0.1244 0.3384 0.3905
58 3 0.214 0.8756 0.3905
59 4 0.1849 0.5131 0.6492
60 4 0.3282 0.8151 0.6492
61 5 0.1233 0.3342 0.5
62 5 0.2109 0.8767 0.5
63 7 0.9554 0.2411 0.6534
64 7 0.2857 0.0446 0.6534
65 3 0.3384 0.1244 0.1095
66 4 0.5131 0.1849 0.8508
67 6 0.6667 0.3333 0.8906
68 7 0.2411 0.9554 0.8466
69 3 0.8756 0.214 0.1095
70 3 0.786 0.6616 0.1095
71 4 0.8151 0.3282 0.8508
72 4 0.6718 0.4869 0.8508
73 7 0.0446 0.2857 0.8466
74 7 0.7143 0.7589 0.8466
75 3 0.6616 0.8756 0.1095
76 4 0.4869 0.8151 0.8508
77 6 0.3333 0.6667 0.8906
78 7 0.7589 0.0446 0.8466
79 3 0.1244 0.786 0.1095
80 3 0.214 0.3384 0.1095
81 4 0.1849 0.6718 0.8508
82 4 0.3282 0.5131 0.8508
83 7 0.9554 0.7143 0.8466
84 7 0.2857 0.2411 0.8466
85 3 0.3384 0.214 0.6095
86 4 0.5131 0.3282 0.3508
87 6 0.6667 0.3333 0.3906
88 7 0.2411 0.2857 0.3466
89 3 0.8756 0.6616 0.6095
90 3 0.786 0.1244 0.6095
91 4 0.8151 0.4869 0.3508
92 4 0.6718 0.1849 0.3508
93 7 0.0446 0.7589 0.3466
94 7 0.7143 0.9554 0.3466
95 3 0.6616 0.786 0.6095
96 4 0.4869 0.6718 0.3508
97 6 0.3333 0.6667 0.3906
98 7 0.7589 0.7143 0.3466
99 3 0.1244 0.3384 0.6095
100 3 0.214 0.8756 0.6095
101 4 0.1849 0.5131 0.3508
102 4 0.3282 0.8151 0.3508
103 7 0.9554 0.2411 0.3466
104 7 0.2857 0.0446 0.3466
X-ray density (g/cm cub.) = 2.69
MU (1/cm) = 126.132 Mass attenuation coefficient (cm**2/g) = 46.835
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,Sr 3.228 12
3.0733 7
3.0732 7
3.0732 7
3.0733 7
3.0732 7
3.0732 7
3.0733 7
3.0732 7
3.0732 7
3.0733 7
3.0732 7
3.0732 7
2 Ca ,Sr 3.072 8
2.3619 4
2.8374 7
2.3619 4
2.8374 7
2.362 4
2.8375 7
2.362 4
2.8375 7
3 Si ,Al 2.316 4
1.632 5
1.6752 4
1.6351 7
1.6655 7
4 O 3.264 6
2.7423 5
2.5858 7
2.7049 8
2.6689 4
2.6689 4
2.6538 7
5 O 3.264 9
2.7423 4
2.7263 7
2.9706 8
2.9857 5
2.9858 5
2.74 7
2.7423 4
2.7263 7
2.74 7
6 Si ,Al 2.316 4
1.651 4
1.6301 8
1.651 4
1.651 4
7 O 3.264 7
2.5858 4
2.7263 5
2.6536 4
2.7399 5
2.7154 7
2.7154 7
2.9845 7
8 O 3.264 9
2.7049 4
2.9706 5
2.7049 4
2.7049 4
2.9706 5
2.9706 5
2.7049 4
2.7049 4
2.7049 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 0 0 5.003 10.005 0.057 260.04 6 27.3 64.5
2 0 0 2 5.935 11.869 0.067 184.12 2 41.6 35.3
3 1 0 2 7.773 15.547 0.088 106.38 12 2.0 0.3
4 1 1 0 8.687 17.374 0.098 84.74 6 25.1 17.7
5 2 0 0 10.044 20.088 0.113 62.84 6 182.6 697.2
6 1 1 2 10.547 21.093 0.119 56.79 12 3.4 0.4
7 2 0 2 11.698 23.395 0.132 45.77 12 168.8 868.1
8 0 0 4 11.934 23.868 0.134 43.89 2 365.3 650.0
9 1 0 4 12.969 25.938 0.146 36.85 12 22.4 12.3
10 2 1 0 13.339 26.678 0.15 34.72 12 13.5 4.2
11 2 1 1 13.676 27.352 0.153 32.94 24 102.8 463.1
12 2 1 2 14.644 29.289 0.164 28.47 24 1.2 0.1
13 1 1 4 14.837 29.674 0.166 27.69 12 13.9 3.6
14 3 0 0 15.165 30.33 0.17 26.42 6 82.6 60.0
15 2 0 4 15.695 31.389 0.176 24.54 12 243.5 969.1
16 2 1 3 16.14 32.281 0.18 23.1 24 43.8 59.0
17 3 0 2 16.337 32.675 0.183 22.5 12 18.7 5.2
18 2 2 0 17.582 35.164 0.196 19.18 6 331.2 700.4
19 2 1 4 18.048 36.097 0.201 18.11 24 6.6 1.1
20 0 0 6 18.07 36.14 0.201 18.06 2 48.2 4.7
21 3 1 0 18.325 36.65 0.204 17.52 12 72.7 61.7
22 3 1 1 18.58 37.16 0.207 16.99 24 55.9 70.7
23 2 2 2 18.619 37.238 0.207 16.91 12 44.6 22.4
24 1 0 6 18.796 37.593 0.209 16.56 12 5.0 0.3
25 3 1 2 19.328 38.655 0.215 15.57 24 20.7 8.9
26 3 0 4 19.479 38.958 0.216 15.31 12 35.4 12.8
27 1 1 6 20.182 40.363 0.224 14.15 12 14.1 1.9
28 2 1 5 20.271 40.543 0.225 14.01 24 50.0 46.7
29 4 0 0 20.414 40.828 0.226 13.79 6 58.2 15.6
30 3 1 3 20.523 41.045 0.228 13.63 24 96.6 169.3
31 2 0 6 20.845 41.691 0.231 13.16 12 102.1 91.4
32 4 0 2 21.334 42.668 0.236 12.5 12 177.1 261.0
33 2 2 4 21.473 42.947 0.238 12.32 12 4.2 0.1
34 3 1 4 22.105 44.211 0.244 11.54 24 45.1 31.2
35 3 2 0 22.34 44.679 0.247 11.27 12 57.5 24.8
36 3 2 1 22.557 45.113 0.249 11.02 24 74.0 80.4
37 2 1 6 22.741 45.483 0.251 10.82 24 11.8 2.0
38 3 2 2 23.198 46.396 0.256 10.35 24 18.8 4.9
39 4 1 0 23.553 47.107 0.259 10.0 12 30.9 6.3
40 4 1 1 23.762 47.523 0.262 9.8 24 35.7 16.6
41 4 0 4 23.922 47.844 0.263 9.65 12 83.5 44.8
42 3 0 6 23.939 47.878 0.263 9.63 12 5.6 0.2
43 3 1 5 24.018 48.035 0.264 9.56 24 83.8 89.3
44 3 2 3 24.238 48.475 0.266 9.37 24 48.5 29.3
45 4 1 2 24.378 48.757 0.268 9.24 24 7.6 0.7
46 0 0 8 24.429 48.859 0.268 9.2 2 410.6 172.2
47 1 0 8 25.003 50.006 0.274 8.73 12 13.4 1.0
48 4 1 3 25.381 50.763 0.278 8.43 24 46.4 24.2
49 2 1 7 25.415 50.829 0.279 8.41 24 46.1 23.8
50 3 2 4 25.639 51.279 0.281 8.24 24 33.1 12.0
51 2 2 6 25.656 51.312 0.281 8.23 12 197.2 213.0
52 5 0 0 25.849 51.698 0.283 8.09 6 97.2 25.4
53 1 1 8 26.122 52.245 0.286 7.9 12 0.6 0.0
54 3 1 6 26.21 52.419 0.287 7.84 24 42.9 19.3
55 5 0 2 26.621 53.243 0.291 7.57 12 11.1 0.6
56 2 0 8 26.669 53.339 0.291 7.54 12 45.1 10.2
57 4 1 4 26.74 53.479 0.292 7.49 24 14.2 2.0
58 3 3 0 26.943 53.886 0.294 7.36 6 95.4 22.3
59 3 2 5 27.365 54.73 0.298 7.11 24 31.8 9.6
60 4 2 0 27.479 54.958 0.3 7.04 12 19.8 1.8
61 4 2 1 27.665 55.331 0.301 6.93 24 26.8 6.6
62 3 3 2 27.694 55.388 0.302 6.92 12 5.0 0.1
63 4 0 6 27.825 55.65 0.303 6.84 12 21.5 2.1
64 4 2 2 28.22 56.441 0.307 6.63 24 104.8 97.0
65 2 1 8 28.266 56.533 0.307 6.6 24 1.2 0.0
66 4 1 5 28.419 56.838 0.309 6.52 24 6.8 0.4
67 3 1 7 28.645 57.29 0.311 6.41 24 51.5 22.6
68 5 0 4 28.852 57.705 0.313 6.3 12 57.5 13.9
69 5 1 0 29.046 58.092 0.315 6.21 12 33.3 4.6
70 4 2 3 29.13 58.259 0.316 6.17 24 7.4 0.4
71 5 1 1 29.226 58.452 0.317 6.12 24 123.2 123.8
72 3 0 8 29.299 58.598 0.318 6.09 12 36.9 5.5
73 3 2 6 29.38 58.76 0.318 6.05 24 12.4 1.2
74 5 1 2 29.762 59.524 0.322 5.88 24 20.6 3.3
75 3 3 4 29.872 59.744 0.323 5.83 12 63.9 15.8
76 4 2 4 30.374 60.747 0.328 5.62 24 130.0 126.4
77 4 1 6 30.388 60.777 0.328 5.61 24 6.2 0.3
78 5 1 3 30.642 61.285 0.331 5.51 24 18.5 2.5
79 2 2 8 30.807 61.613 0.332 5.44 12 247.6 222.2
80 0 0 10 31.129 62.258 0.336 5.32 2 17.8 0.2
81 2 1 9 31.287 62.575 0.337 5.26 24 61.7 26.7
82 3 1 8 31.3 62.599 0.337 5.25 24 13.0 1.2
83 6 0 0 31.547 63.095 0.34 5.16 6 251.8 109.0
84 1 0 10 31.619 63.238 0.34 5.14 12 1.7 0.0
85 3 2 7 31.656 63.311 0.341 5.13 24 48.2 15.8
86 5 1 4 31.851 63.702 0.343 5.06 24 26.8 4.9
87 4 2 5 31.93 63.861 0.343 5.03 24 19.4 2.5
88 4 3 0 32.034 64.067 0.344 4.99 12 1.9 0.0
89 4 3 1 32.204 64.408 0.346 4.94 24 80.5 42.6
90 6 0 2 32.23 64.46 0.346 4.93 12 36.5 4.4
91 5 0 6 32.349 64.698 0.347 4.89 12 15.4 0.8
92 1 1 10 32.587 65.174 0.35 4.81 12 2.0 0.0
93 4 1 7 32.623 65.246 0.35 4.8 24 32.3 6.7
94 4 3 2 32.711 65.422 0.351 4.77 24 23.7 3.6
95 4 0 8 32.753 65.506 0.351 4.76 12 0.4 0.0
96 5 2 0 32.995 65.99 0.353 4.69 12 188.6 110.9
97 2 0 10 33.065 66.13 0.354 4.67 12 157.3 76.8
98 5 2 1 33.162 66.325 0.355 4.64 24 26.1 4.2
99 3 3 6 33.306 66.611 0.356 4.59 12 33.7 3.5
100 5 1 5 33.369 66.738 0.357 4.58 24 90.6 50.0
101 4 3 3 33.547 67.095 0.359 4.52 24 42.6 10.9
102 5 2 2 33.662 67.324 0.36 4.49 24 40.8 10.0
103 4 2 6 33.779 67.557 0.361 4.46 24 65.3 25.4
104 3 1 9 34.162 68.325 0.365 4.36 24 173.8 175.3
105 3 2 8 34.174 68.348 0.365 4.35 24 31.0 5.6
106 6 0 4 34.235 68.469 0.365 4.34 12 34.0 3.3
107 2 1 10 34.479 68.959 0.367 4.27 24 3.0 0.1
108 5 2 3 34.487 68.974 0.368 4.27 24 32.3 5.9
109 4 3 4 34.702 69.403 0.37 4.22 24 4.8 0.1
110 6 1 0 34.877 69.753 0.371 4.17 12 50.2 7.0
111 6 1 1 35.04 70.079 0.373 4.14 24 88.0 42.7
112 4 1 8 35.106 70.211 0.373 4.12 24 17.6 1.7
113 5 1 6 35.179 70.358 0.374 4.1 24 43.7 10.4
114 3 0 10 35.407 70.815 0.376 4.05 12 35.8 3.5
115 6 1 2 35.527 71.053 0.377 4.02 24 0.4 0.0
116 5 2 4 35.627 71.254 0.378 4.0 24 110.0 64.5
117 4 2 7 35.902 71.804 0.381 3.94 24 9.7 0.5
118 4 3 5 36.16 72.321 0.383 3.89 24 44.4 10.2
119 6 1 3 36.332 72.665 0.385 3.85 24 33.9 5.9
120 2 2 10 36.78 73.561 0.389 3.76 12 168.2 70.9
121 3 2 9 36.927 73.853 0.39 3.73 24 30.6 4.7
122 5 0 8 36.938 73.876 0.39 3.73 12 44.0 4.8
123 5 2 5 37.071 74.141 0.391 3.71 24 6.8 0.2
124 4 4 0 37.167 74.334 0.392 3.69 6 138.2 23.5
125 3 1 10 37.234 74.467 0.393 3.68 24 35.2 6.1
126 5 1 7 37.267 74.535 0.393 3.67 24 26.0 3.3
127 6 1 4 37.449 74.898 0.395 3.64 24 39.2 7.5
128 6 0 6 37.462 74.924 0.395 3.64 12 78.0 14.7
129 5 3 0 37.619 75.237 0.396 3.61 12 41.5 4.1
130 7 0 0 37.619 75.237 0.396 3.61 6 131.5 20.8
131 5 3 1 37.777 75.554 0.398 3.58 24 169.0 136.2
132 4 4 2 37.801 75.603 0.398 3.58 12 33.3 2.6
133 4 1 9 37.83 75.659 0.398 3.57 24 10.7 0.5
134 3 3 8 37.841 75.682 0.398 3.57 12 33.8 2.7
135 2 1 11 37.856 75.712 0.398 3.57 24 11.2 0.6
136 4 3 6 37.912 75.825 0.399 3.56 24 27.8 3.7
137 5 3 2 38.25 76.5 0.402 3.5 24 6.5 0.2
138 7 0 2 38.25 76.5 0.402 3.5 12 26.4 1.6
139 4 2 8 38.29 76.579 0.402 3.5 24 11.9 0.7
140 0 0 12 38.342 76.685 0.403 3.49 2 83.6 2.7
141 4 0 10 38.582 77.164 0.405 3.45 12 215.8 107.0
142 1 0 12 38.789 77.579 0.407 3.42 12 6.4 0.1
143 5 2 6 38.808 77.615 0.407 3.42 24 19.8 1.8
144 6 1 5 38.867 77.735 0.407 3.41 24 51.2 11.9
145 6 2 0 38.962 77.925 0.408 3.39 12 23.7 1.3
146 5 3 3 39.035 78.07 0.409 3.38 24 106.0 50.7
147 6 2 1 39.119 78.238 0.41 3.37 24 21.4 2.0
148 6 2 2 39.587 79.175 0.414 3.31 24 85.2 32.0
149 5 1 8 39.626 79.253 0.414 3.3 24 3.7 0.1
150 1 1 12 39.679 79.357 0.414 3.3 12 7.1 0.1
151 4 4 4 39.684 79.368 0.414 3.3 12 32.6 2.3
152 3 2 10 39.916 79.831 0.417 3.27 24 38.6 6.5
153 4 3 7 39.949 79.898 0.417 3.26 24 35.9 5.6
154 2 0 12 40.121 80.243 0.418 3.24 12 70.0 10.6
155 5 3 4 40.127 80.253 0.418 3.24 24 25.3 2.8
156 7 0 4 40.127 80.253 0.418 3.24 12 85.9 15.9
157 6 2 3 40.365 80.73 0.42 3.21 24 12.3 0.7
158 3 1 11 40.526 81.052 0.422 3.19 24 79.6 27.0
159 6 1 6 40.581 81.162 0.422 3.18 24 11.3 0.5
160 4 1 10 40.799 81.597 0.424 3.16 24 16.0 1.1
161 5 2 7 40.832 81.663 0.424 3.16 24 22.1 2.1
162 4 2 9 40.94 81.881 0.425 3.14 24 26.5 2.9
163 7 1 0 41.174 82.348 0.427 3.12 12 45.6 4.3
164 7 1 1 41.328 82.657 0.429 3.1 24 24.2 2.4
165 2 1 12 41.443 82.885 0.43 3.09 24 5.3 0.1
166 6 2 4 41.448 82.896 0.43 3.09 24 91.8 34.7
167 5 3 5 41.52 83.039 0.43 3.08 24 85.1 29.8
168 7 1 2 41.791 83.582 0.433 3.06 24 22.8 2.1
169 6 0 8 41.83 83.66 0.433 3.05 12 169.9 58.7
170 5 1 9 42.257 84.514 0.437 3.02 24 137.2 75.6
171 4 3 8 42.268 84.536 0.437 3.01 24 15.9 1.0
172 3 0 12 42.319 84.639 0.437 3.01 12 2.7 0.0
173 5 0 10 42.553 85.107 0.439 2.99 12 16.0 0.5
174 7 1 3 42.561 85.121 0.439 2.99 24 46.8 8.7
175 6 1 7 42.586 85.172 0.439 2.99 24 35.1 4.9
176 4 4 6 42.775 85.549 0.441 2.97 12 97.5 18.8
177 6 2 5 42.833 85.666 0.441 2.97 24 27.2 2.9
178 5 4 0 42.926 85.852 0.442 2.96 12 81.2 13.0
179 5 4 1 43.08 86.159 0.443 2.95 24 5.6 0.1
180 5 2 8 43.142 86.284 0.444 2.94 24 109.1 46.6
181 3 2 11 43.157 86.314 0.444 2.94 24 4.2 0.1
182 5 3 6 43.211 86.423 0.444 2.94 24 18.5 1.3
183 7 0 6 43.211 86.423 0.444 2.94 12 9.0 0.2
184 3 3 10 43.427 86.854 0.446 2.92 12 13.1 0.3
185 5 4 2 43.54 87.08 0.447 2.91 24 20.9 1.7
186 2 2 12 43.63 87.259 0.448 2.91 12 19.4 0.7
187 7 1 4 43.635 87.27 0.448 2.91 24 35.1 4.8
188 6 3 0 43.799 87.598 0.449 2.9 12 39.3 3.0
189 4 2 10 43.863 87.726 0.45 2.89 24 109.3 46.1
190 6 3 1 43.952 87.905 0.451 2.89 24 19.1 1.4
191 4 1 11 44.029 88.058 0.451 2.88 24 7.6 0.2
192 3 1 12 44.066 88.131 0.451 2.88 24 15.7 0.9
193 8 0 0 44.235 88.47 0.453 2.87 6 40.6 1.6
194 5 4 3 44.306 88.612 0.453 2.87 24 29.0 3.2
195 6 3 2 44.412 88.824 0.454 2.86 24 30.3 3.5
196 6 2 6 44.519 89.039 0.455 2.85 24 39.8 6.0
197 8 0 2 44.848 89.695 0.458 2.84 12 60.6 6.9
198 4 3 9 44.875 89.75 0.458 2.83 24 51.4 10.0
199 6 1 8 44.886 89.772 0.458 2.83 24 21.8 1.8
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 0 0 5.003 10.005 8.83346 64.5 6.7 6.8 5.6
2 0 0 2 5.935 11.869 7.45 35.3 3.6 3.7 5.6
3 1 1 0 8.687 17.374 5.1 17.7 1.8 1.9 5.6
4 2 0 0 10.044 20.088 4.41673 697.2 71.9 72.6 5.6
5 2 0 2 11.698 23.395 3.79925 868.1 89.6 90.1 5.6
6 0 0 4 11.934 23.868 3.725 650.0 67.1 67.5 5.6
7 1 0 4 12.969 25.938 3.43231 12.3 1.3 1.3 5.6
8 2 1 1 13.676 27.352 3.25794 463.1 47.8 47.9 5.6
9 3 0 0 15.165 30.33 2.94449 60.0 6.2 6.2 5.6
10 2 0 4 15.695 31.389 2.8475 969.1 100.0 100.0 5.6
11 2 1 3 16.14 32.281 2.77086 59.0 6.1 6.1 5.6
12 2 2 0 17.582 35.164 2.55 700.4 72.3 72.0 5.7
13 3 1 0 18.325 36.65 2.44996 61.7 6.4 6.3 5.7
14 3 1 1 18.58 37.16 2.4175 70.7 7.3 7.3 5.7
15 2 2 2 18.619 37.238 2.41259 22.4 2.3 2.3 5.7
16 3 0 4 19.479 38.958 2.30996 12.8 1.3 1.3 5.7
17 2 1 5 20.271 40.543 2.22323 46.7 4.8 4.8 5.7
18 4 0 0 20.414 40.828 2.20836 15.6 1.6 1.6 5.7
19 3 1 3 20.523 41.045 2.19719 169.3 17.5 17.3 5.7
20 2 0 6 20.845 41.691 2.16464 91.4 9.4 9.3 5.7
21 4 0 2 21.334 42.668 2.1173 261.0 26.9 26.6 5.7
22 3 1 4 22.105 44.211 2.04691 31.2 3.2 3.2 5.7
23 3 2 0 22.34 44.679 2.02653 24.8 2.6 2.5 5.7
24 3 2 1 22.557 45.113 2.00805 80.4 8.3 8.2 5.7
25 4 1 1 23.762 47.523 1.91169 16.6 1.7 1.7 5.7
26 4 0 4 23.922 47.844 1.89962 45.0 4.6 4.6 5.7
27 3 1 5 24.018 48.035 1.89249 89.3 9.2 9.1 5.7
28 3 2 3 24.238 48.475 1.87635 29.3 3.0 3.0 5.7
29 0 0 8 24.429 48.859 1.8625 172.2 17.8 17.5 5.7
30 4 1 3 25.381 50.763 1.79702 24.2 2.5 2.4 5.8
31 2 1 7 25.415 50.829 1.79484 23.8 2.5 2.4 5.8
32 2 2 6 25.656 51.312 1.77908 225.1 23.2 22.8 5.8
33 5 0 0 25.849 51.698 1.76669 25.4 2.6 2.6 5.8
34 3 1 6 26.21 52.419 1.74406 19.3 2.0 1.9 5.8
35 2 0 8 26.669 53.339 1.71615 10.2 1.1 1.0 5.8
36 3 3 0 26.943 53.886 1.7 22.3 2.3 2.2 5.8
37 4 2 2 28.22 56.441 1.62897 97.0 10.0 9.7 5.8
38 3 1 7 28.645 57.29 1.60683 22.6 2.3 2.3 5.8
39 5 0 4 28.852 57.705 1.59626 13.9 1.4 1.4 5.8
40 5 1 1 29.226 58.452 1.57762 123.8 12.8 12.4 5.8
41 3 3 4 29.872 59.744 1.54655 15.8 1.6 1.6 5.8
42 4 2 4 30.374 60.747 1.52338 126.7 13.1 12.6 5.8
43 2 2 8 30.807 61.613 1.50404 222.2 22.9 22.1 5.8
44 2 1 9 31.287 62.575 1.48322 27.8 2.9 2.8 5.8
45 6 0 0 31.547 63.095 1.47224 109.0 11.2 10.8 5.9
46 3 2 7 31.656 63.311 1.46772 15.8 1.6 1.6 5.9
47 4 3 1 32.204 64.408 1.44536 46.9 4.8 4.7 5.9
48 5 2 0 32.995 65.99 1.41449 110.9 11.4 11.0 5.9
49 2 0 10 33.065 66.13 1.41183 76.8 7.9 7.6 5.9
50 5 1 5 33.369 66.738 1.40043 50.0 5.2 4.9 5.9
51 4 3 3 33.547 67.095 1.39385 10.9 1.1 1.1 5.9
52 5 2 2 33.662 67.324 1.38966 10.0 1.0 1.0 5.9
53 4 2 6 33.779 67.557 1.38543 25.4 2.6 2.5 5.9
54 3 1 9 34.162 68.325 1.37173 180.8 18.7 17.8 5.9
55 6 1 1 35.04 70.079 1.34162 42.7 4.4 4.2 5.9
56 5 1 6 35.179 70.358 1.33698 10.4 1.1 1.0 5.9
57 5 2 4 35.627 71.254 1.32236 64.5 6.7 6.3 5.9
58 4 3 5 36.16 72.321 1.30545 10.2 1.1 1.0 5.9
59 2 2 10 36.78 73.561 1.28648 70.9 7.3 6.9 6.0
60 4 4 0 37.167 74.334 1.275 23.5 2.4 2.3 6.0
61 6 0 6 37.462 74.924 1.26642 22.2 2.3 2.2 6.0
62 7 0 0 37.619 75.237 1.26192 24.9 2.6 2.4 6.0
63 5 3 1 37.777 75.554 1.25742 138.8 14.3 13.5 6.0
64 4 0 10 38.582 77.164 1.23515 107.0 11.0 10.4 6.0
65 6 1 5 38.867 77.735 1.2275 11.9 1.2 1.1 6.0
66 5 3 3 39.035 78.07 1.22306 50.7 5.2 4.9 6.0
67 6 2 2 39.587 79.175 1.20875 32.0 3.3 3.1 6.0
68 7 0 4 40.127 80.253 1.1952 29.2 3.0 2.8 6.0
69 3 1 11 40.526 81.052 1.18543 27.0 2.8 2.6 6.1
70 6 2 4 41.448 82.896 1.16367 34.7 3.6 3.3 6.1
71 5 3 5 41.52 83.039 1.16203 29.8 3.1 2.8 6.1
72 6 0 8 41.83 83.66 1.15498 58.7 6.1 5.6 6.1
73 5 1 9 42.257 84.514 1.14547 76.6 7.9 7.3 6.1
74 7 1 3 42.561 85.121 1.13885 13.6 1.4 1.3 6.1
75 4 4 6 42.775 85.549 1.13424 18.8 1.9 1.8 6.1
76 5 4 0 42.926 85.852 1.13101 13.0 1.3 1.2 6.1
77 5 2 8 43.142 86.284 1.12646 46.7 4.8 4.4 6.1
78 4 2 10 43.863 87.726 1.11161 46.1 4.8 4.4 6.2
79 4 3 9 44.875 89.75 1.09172 18.7 1.9 1.8 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)
|