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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WILLHENDERSONITE
4, at 423'K, f-zeolites, sf-thomsonite, DN, ZL
KCaAl(3)Si(3)O(12)
Rhombohedral * R3(-) Z = 2
*R3(-)
26 .3 .10
Ref.Str.:
Fischer R.X., Kahlenberg V., Lengauer C.L., Tillmanns E. (2008)
* Amer. Mineral., 93, 1317-1325
R: from Mayen, Eifel district, Germany.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.411 alpha = 91.48
b = 9.411 beta = 91.48
c = 9.411 gamma = 91.48
Unit cell volume (cub. angs.) = 832.65
Molar volume ( cub.cm/mol.) = 250.77
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.547 0.543 0.017 0.0 K = 0.31, K = 0.0
2 0.0 0.0 0.0 0.0 Ca = 0.27, Ca = 0.0
3 0.543 0.625 0.011 0.0 Ca = 0.17, Ca = 0.0
4 0.649 0.539 0.949 0.0 Ca = 0.05, Ca = 0.0
5 0.3294 0.083 0.8596 0.0 Al = 1.00
6 0.1002 0.3249 0.8621 0.0 Si = 1.00
7 0.2982 0.7098 0.0155 0.0 O = 1.00
8 0.1099 0.8731 0.509 0.0 O = 1.00
9 0.2513 0.2479 0.8657 0.0 O = 1.00
10 0.9845 0.0003 0.2545 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.547 0.543 0.017
2 2 0.0 0.0 0.0
3 3 0.543 0.625 0.011
4 4 0.649 0.539 0.949
5 5 0.3294 0.083 0.8596
6 6 0.1002 0.3249 0.8621
7 7 0.2982 0.7098 0.0155
8 8 0.1099 0.8731 0.509
9 9 0.2513 0.2479 0.8657
10 10 0.9845 0.0003 0.2545
11 1 0.543 0.017 0.547
12 1 0.017 0.547 0.543
13 3 0.625 0.011 0.543
14 3 0.011 0.543 0.625
15 4 0.539 0.949 0.649
16 4 0.949 0.649 0.539
17 5 0.083 0.8596 0.3294
18 5 0.8596 0.3294 0.083
19 6 0.3249 0.8621 0.1002
20 6 0.8621 0.1002 0.3249
21 7 0.7098 0.0155 0.2982
22 7 0.0155 0.2982 0.7098
23 8 0.8731 0.509 0.1099
24 8 0.509 0.1099 0.8731
25 9 0.2479 0.8657 0.2513
26 9 0.8657 0.2513 0.2479
27 10 0.0003 0.2545 0.9845
28 10 0.2545 0.9845 0.0003
29 1 0.453 0.457 0.983
30 3 0.457 0.375 0.989
31 4 0.351 0.461 0.051
32 5 0.6706 0.917 0.1404
33 6 0.8998 0.6751 0.1379
34 7 0.7018 0.2902 0.9845
35 8 0.8901 0.1269 0.491
36 9 0.7487 0.7521 0.1343
37 10 0.0155 0.9997 0.7455
38 1 0.457 0.983 0.453
39 1 0.983 0.453 0.457
40 3 0.375 0.989 0.457
41 3 0.989 0.457 0.375
42 4 0.461 0.051 0.351
43 4 0.051 0.351 0.461
44 5 0.917 0.1404 0.6706
45 5 0.1404 0.6706 0.917
46 6 0.6751 0.1379 0.8998
47 6 0.1379 0.8998 0.6751
48 7 0.2902 0.9845 0.7018
49 7 0.9845 0.7018 0.2902
50 8 0.1269 0.491 0.8901
51 8 0.491 0.8901 0.1269
52 9 0.7521 0.1343 0.7487
53 9 0.1343 0.7487 0.7521
54 10 0.9997 0.7455 0.0155
55 10 0.7455 0.0155 0.9997
X-ray density (g/cm cub.) = 1.7
MU (1/cm) = 86.31 Mass attenuation coefficient (cm**2/g) = 50.861
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,K 3.228 4
2.8524 7
3.1956 8
2.8356 7
2.8776 9
2 Ca ,Ca 2.88 6
2.4032 10
2.4032 10
2.4032 10
2.4032 10
2.4032 10
2.4032 10
3 Ca ,Ca 2.88 3
2.4586 7
2.4935 9
2.7575 8
4 Ca ,Ca 2.88 3
2.5901 8
2.4358 7
2.7534 9
5 Al 2.316 4
1.7345 9
1.7036 8
1.7853 10
1.756 7
6 Si 2.1 4
1.6126 9
1.6325 7
1.6471 10
1.5909 8
7 O 3.264 6
2.6876 9
2.6351 10
2.7993 8
2.6308 8
2.9217 9
2.8378 10
8 O 3.264 7
2.9389 10
2.7806 9
3.2048 8
2.68 10
2.6308 7
2.7993 7
2.6043 9
9 O 3.264 6
2.6876 7
2.7806 8
2.6408 10
2.8132 10
2.9217 7
2.6043 8
10 O 3.264 8
2.9389 8
2.6351 7
2.8132 9
2.6408 9
2.68 8
2.8378 7
3.2535 10
3.2535 10
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 4.698 9.396 0.053 295.15 6 97.8 2440.6
2 1 -1 0 6.562 13.125 0.074 150.16 6 87.4 992.1
3 1 1 0 6.74 13.479 0.076 142.25 6 30.3 113.4
4 1 -1 1 8.083 16.166 0.091 98.22 6 7.0 4.2
5 1 1 1 8.371 16.741 0.094 91.43 2 12.3 4.0
6 2 0 0 9.428 18.856 0.106 71.61 6 20.1 25.1
7 1 -2 0 10.439 20.878 0.118 58.01 6 99.9 501.5
8 2 -1 0 10.439 20.878 0.118 58.01 6 76.4 292.7
9 1 2 0 10.666 21.331 0.12 55.48 6 15.2 11.1
10 2 1 0 10.666 21.331 0.12 55.48 6 3.1 0.5
11 -2 1 1 11.417 22.834 0.128 48.15 6 34.8 50.3
12 2 -1 1 11.522 23.043 0.13 47.24 6 16.2 10.7
13 2 1 -1 11.522 23.043 0.13 47.24 6 30.6 38.4
14 2 1 1 11.83 23.66 0.133 44.7 6 62.6 151.4
15 2 -2 0 13.213 26.426 0.148 35.43 6 27.5 23.1
16 2 2 0 13.575 27.149 0.152 33.46 6 60.1 104.5
17 1 -2 2 14.052 28.104 0.158 31.09 6 34.7 32.4
18 1 2 -2 14.052 28.104 0.158 31.09 6 24.2 15.7
19 -1 2 2 14.224 28.448 0.159 30.3 6 14.0 5.2
20 3 0 0 14.224 28.448 0.159 30.3 6 24.4 15.7
21 1 2 2 14.563 29.125 0.163 28.81 6 82.4 169.5
22 1 -3 0 14.888 29.777 0.167 27.48 6 13.2 4.1
23 3 -1 0 14.888 29.777 0.167 27.48 6 19.0 8.6
24 1 3 0 15.133 30.266 0.169 26.54 6 37.6 32.4
25 3 1 0 15.133 30.266 0.169 26.54 6 43.1 42.7
26 -3 1 1 15.566 31.133 0.174 24.98 6 157.4 535.6
27 3 -1 1 15.723 31.447 0.176 24.44 6 26.2 14.5
28 3 1 -1 15.723 31.447 0.176 24.44 6 14.6 4.5
29 3 1 1 16.033 32.066 0.179 23.43 6 57.5 67.2
30 2 -2 2 16.332 32.665 0.183 22.52 6 44.0 37.6
31 2 2 2 16.927 33.854 0.189 20.84 2 80.5 39.0
32 2 -3 0 16.958 33.917 0.189 20.75 6 35.0 22.0
33 3 -2 0 16.958 33.917 0.189 20.75 6 33.7 20.4
34 2 3 0 17.392 34.784 0.194 19.64 6 44.4 33.5
35 3 2 0 17.392 34.784 0.194 19.64 6 57.4 56.0
36 -3 2 1 17.6 35.2 0.196 19.14 6 28.7 13.6
37 1 2 -3 17.6 35.2 0.196 19.14 6 25.2 10.6
38 1 -2 3 17.671 35.341 0.197 18.97 6 19.2 6.0
39 3 -2 1 17.671 35.341 0.197 18.97 6 39.3 25.3
40 -1 2 3 17.881 35.762 0.199 18.48 6 20.2 6.5
41 3 2 -1 17.881 35.762 0.199 18.48 6 42.6 29.0
42 1 2 3 18.227 36.454 0.203 17.72 6 0.5 0.0
43 3 2 1 18.227 36.454 0.203 17.72 6 13.4 2.8
44 4 0 0 19.124 38.249 0.213 15.94 6 0.4 0.0
45 -3 2 2 19.479 38.958 0.216 15.31 6 37.1 18.3
46 1 -4 0 19.608 39.217 0.218 15.08 6 5.7 0.4
47 3 -2 2 19.608 39.217 0.218 15.08 6 31.6 13.0
48 3 2 -2 19.608 39.217 0.218 15.08 6 28.0 10.2
49 4 -1 0 19.608 39.217 0.218 15.08 6 5.9 0.5
50 1 4 0 19.865 39.73 0.221 14.65 6 18.9 4.5
51 4 1 0 19.865 39.73 0.221 14.65 6 21.3 5.8
52 3 -3 0 20.051 40.102 0.223 14.35 6 8.2 0.8
53 -4 1 1 20.114 40.228 0.223 14.25 6 80.6 80.1
54 3 2 2 20.245 40.489 0.225 14.05 6 13.0 2.0
55 4 -1 1 20.303 40.606 0.225 13.96 6 23.0 6.4
56 4 1 -1 20.303 40.606 0.225 13.96 6 15.8 3.0
57 3 3 0 20.614 41.228 0.229 13.49 6 11.9 1.7
58 4 1 1 20.614 41.228 0.229 13.49 6 92.7 100.3
59 1 -3 3 20.641 41.281 0.229 13.46 6 12.2 1.7
60 1 3 -3 20.641 41.281 0.229 13.46 6 24.7 7.1
61 -1 3 3 21.009 42.017 0.233 12.93 6 53.9 32.5
62 2 -4 0 21.247 42.493 0.235 12.61 6 6.5 0.5
63 4 -2 0 21.247 42.493 0.235 12.61 6 2.0 0.0
64 1 3 3 21.371 42.743 0.237 12.45 6 27.4 8.1
65 2 4 0 21.725 43.45 0.24 12.0 6 15.5 2.5
66 4 2 0 21.725 43.45 0.24 12.0 6 38.4 15.3
67 -4 2 1 21.751 43.501 0.241 11.97 6 5.7 0.3
68 1 2 -4 21.751 43.501 0.241 11.97 6 32.2 10.8
69 1 -2 4 21.869 43.738 0.242 11.82 6 2.2 0.0
70 4 -2 1 21.869 43.738 0.242 11.82 6 5.1 0.3
71 -1 2 4 22.104 44.207 0.244 11.54 6 21.8 4.7
72 4 2 -1 22.104 44.207 0.244 11.54 6 46.0 21.1
73 2 -3 3 22.332 44.665 0.247 11.28 6 38.3 14.3
74 2 3 -3 22.332 44.665 0.247 11.28 6 21.8 4.6
75 1 2 4 22.452 44.904 0.248 11.14 6 29.4 8.3
76 4 2 1 22.452 44.904 0.248 11.14 6 25.6 6.3
77 -2 3 3 22.506 45.012 0.248 11.08 6 45.6 19.9
78 2 3 3 23.189 46.379 0.256 10.36 6 5.9 0.3
79 -4 2 2 23.322 46.644 0.257 10.22 6 1.1 0.0
80 4 -2 2 23.545 47.091 0.259 10.0 6 10.7 1.0
81 4 2 -2 23.545 47.091 0.259 10.0 6 4.5 0.2
82 3 -4 0 23.846 47.692 0.262 9.72 6 47.3 18.9
83 4 -3 0 23.846 47.692 0.262 9.72 6 11.3 1.1
84 5 0 0 24.175 48.35 0.266 9.42 6 75.1 46.0
85 4 2 2 24.206 48.412 0.266 9.4 6 25.1 5.1
86 -4 3 1 24.334 48.669 0.267 9.28 6 53.2 22.8
87 1 3 -4 24.334 48.669 0.267 9.28 6 44.8 16.1
88 1 -3 4 24.389 48.777 0.268 9.24 6 32.6 8.5
89 4 -3 1 24.389 48.777 0.268 9.24 6 48.7 19.0
90 3 4 0 24.501 49.001 0.269 9.14 6 19.5 3.0
91 4 3 0 24.501 49.001 0.269 9.14 6 25.3 5.1
92 1 -5 0 24.551 49.102 0.27 9.1 6 3.8 0.1
93 5 -1 0 24.551 49.102 0.27 9.1 6 3.0 0.1
94 -1 3 4 24.819 49.639 0.272 8.88 6 28.2 6.1
95 1 5 0 24.819 49.639 0.272 8.88 6 72.0 39.8
96 4 3 -1 24.819 49.639 0.272 8.88 6 42.2 13.7
97 5 1 0 24.819 49.639 0.272 8.88 6 70.4 38.1
98 -5 1 1 24.949 49.898 0.274 8.77 6 45.5 15.7
99 3 -3 3 24.949 49.898 0.274 8.77 6 18.2 2.5
100 5 -1 1 25.162 50.323 0.276 8.6 6 42.0 13.2
101 5 1 -1 25.162 50.323 0.276 8.6 6 41.2 12.7
102 1 3 4 25.192 50.384 0.276 8.58 6 11.6 1.0
103 4 3 1 25.192 50.384 0.276 8.58 6 12.5 1.2
104 5 1 1 25.478 50.956 0.279 8.36 6 34.2 8.5
105 -4 3 2 25.81 51.62 0.283 8.12 6 17.2 2.1
106 2 3 -4 25.81 51.62 0.283 8.12 6 12.1 1.0
107 3 3 3 25.895 51.791 0.283 8.06 2 46.0 4.9
108 2 -5 0 25.914 51.828 0.284 8.04 6 0.8 0.0
109 2 -3 4 25.914 51.828 0.284 8.04 6 9.0 0.6
110 4 -3 2 25.914 51.828 0.284 8.04 6 5.5 0.2
111 5 -2 0 25.914 51.828 0.284 8.04 6 11.9 1.0
112 -2 3 4 26.121 52.242 0.286 7.9 6 21.2 3.1
113 4 3 -2 26.121 52.242 0.286 7.9 6 14.4 1.4
114 -5 2 1 26.323 52.646 0.288 7.76 6 39.7 10.6
115 1 2 -5 26.323 52.646 0.288 7.76 6 39.7 10.6
116 2 5 0 26.429 52.858 0.289 7.69 6 9.2 0.6
117 5 2 0 26.429 52.858 0.289 7.69 6 34.5 7.9
118 1 -2 5 26.476 52.953 0.289 7.66 6 0.8 0.0
119 5 -2 1 26.476 52.953 0.289 7.66 6 13.8 1.3
120 -1 2 5 26.731 53.462 0.292 7.5 6 65.8 28.1
121 5 2 -1 26.731 53.462 0.292 7.5 6 40.1 10.4
122 2 3 4 26.836 53.672 0.293 7.43 6 0.3 0.0
123 4 3 2 26.836 53.672 0.293 7.43 6 13.9 1.2
124 1 2 5 27.084 54.169 0.296 7.27 6 5.8 0.2
125 5 2 1 27.084 54.169 0.296 7.27 6 2.2 0.0
126 4 -4 0 27.203 54.406 0.297 7.2 6 107.7 72.3
127 -5 2 2 27.673 55.345 0.301 6.93 6 3.9 0.1
128 1 -4 4 27.673 55.345 0.301 6.93 6 5.8 0.2
129 1 4 -4 27.673 55.345 0.301 6.93 6 30.1 5.4
130 5 -2 2 27.969 55.938 0.304 6.76 6 8.2 0.4
131 5 2 -2 27.969 55.938 0.304 6.76 6 31.0 5.6
132 4 4 0 27.997 55.994 0.305 6.75 6 13.4 1.1
133 -4 3 3 28.162 56.324 0.306 6.66 6 12.3 0.9
134 3 -5 0 28.162 56.324 0.306 6.66 6 19.8 2.3
135 5 -3 0 28.162 56.324 0.306 6.66 6 5.8 0.2
136 -1 4 4 28.263 56.526 0.307 6.6 6 46.6 12.4
137 4 -3 3 28.309 56.617 0.308 6.58 6 34.9 7.0
138 4 3 -3 28.309 56.617 0.308 6.58 6 58.1 19.2
139 -5 3 1 28.573 57.146 0.31 6.44 6 55.0 16.9
140 1 3 -5 28.573 57.146 0.31 6.44 6 36.4 7.4
141 1 4 4 28.652 57.305 0.311 6.4 6 33.5 6.2
142 5 2 2 28.652 57.305 0.311 6.4 6 15.3 1.3
143 1 -3 5 28.67 57.34 0.311 6.39 6 12.7 0.9
144 5 -3 1 28.67 57.34 0.311 6.39 6 17.1 1.6
145 3 5 0 28.891 57.781 0.314 6.28 6 20.4 2.3
146 5 3 0 28.891 57.781 0.314 6.28 6 33.5 6.1
147 2 -4 4 29.052 58.104 0.315 6.21 6 17.8 1.7
148 2 4 -4 29.052 58.104 0.315 6.21 6 18.0 1.7
149 -1 3 5 29.151 58.303 0.316 6.16 6 33.4 5.9
150 5 3 -1 29.151 58.303 0.316 6.16 6 9.0 0.4
151 4 3 3 29.322 58.644 0.318 6.08 6 49.1 12.7
152 -2 4 4 29.435 58.869 0.319 6.03 6 57.6 17.3
153 6 0 0 29.435 58.869 0.319 6.03 6 35.1 6.4
154 1 3 5 29.533 59.066 0.32 5.98 6 31.1 5.0
155 5 3 1 29.533 59.066 0.32 5.98 6 12.2 0.8
156 1 -6 0 29.74 59.48 0.322 5.89 6 58.9 17.7
157 6 -1 0 29.74 59.48 0.322 5.89 6 43.1 9.5
158 -5 3 2 29.878 59.756 0.323 5.83 6 17.2 1.5
159 2 3 -5 29.878 59.756 0.323 5.83 6 4.2 0.1
160 1 6 0 30.023 60.046 0.325 5.76 6 7.4 0.3
161 6 1 0 30.023 60.046 0.325 5.76 6 23.7 2.8
162 -6 1 1 30.067 60.133 0.325 5.74 6 11.9 0.7
163 2 -3 5 30.067 60.133 0.325 5.74 6 7.9 0.3
164 5 -3 2 30.067 60.133 0.325 5.74 6 3.4 0.1
165 2 4 4 30.191 60.381 0.326 5.69 6 19.3 1.8
166 -2 3 5 30.301 60.602 0.328 5.65 6 14.1 1.0
167 5 3 -2 30.301 60.602 0.328 5.65 6 17.7 1.5
168 6 -1 1 30.301 60.602 0.328 5.65 6 47.3 10.9
169 6 1 -1 30.301 60.602 0.328 5.65 6 48.1 11.3
170 6 1 1 30.628 61.255 0.331 5.51 6 6.6 0.2
171 2 -6 0 30.922 61.845 0.334 5.4 6 26.0 3.2
172 6 -2 0 30.922 61.845 0.334 5.4 6 43.0 8.6
173 2 3 5 31.044 62.089 0.335 5.35 6 35.3 5.8
174 5 3 2 31.044 62.089 0.335 5.35 6 60.9 17.2
175 4 -5 0 31.173 62.346 0.336 5.3 6 68.1 21.3
176 5 -4 0 31.173 62.346 0.336 5.3 6 68.7 21.7
177 -6 2 1 31.265 62.53 0.337 5.27 6 14.8 1.0
178 1 2 -6 31.265 62.53 0.337 5.27 6 36.2 6.0
179 3 -4 4 31.265 62.53 0.337 5.27 6 15.5 1.1
180 3 4 -4 31.265 62.53 0.337 5.27 6 10.1 0.5
181 -3 4 4 31.448 62.896 0.339 5.2 6 30.2 4.1
182 1 -2 6 31.448 62.896 0.339 5.2 6 59.9 16.1
183 6 -2 1 31.448 62.896 0.339 5.2 6 26.3 3.1
184 2 6 0 31.474 62.949 0.339 5.19 6 5.1 0.1
185 6 2 0 31.474 62.949 0.339 5.19 6 11.0 0.5
186 -5 4 1 31.582 63.164 0.34 5.15 6 34.8 5.4
187 1 4 -5 31.582 63.164 0.34 5.15 6 12.4 0.7
188 1 -4 5 31.628 63.256 0.34 5.14 6 15.1 1.0
189 5 -4 1 31.628 63.256 0.34 5.14 6 14.7 1.0
190 -1 2 6 31.722 63.445 0.341 5.1 6 13.9 0.9
191 6 2 -1 31.722 63.445 0.341 5.1 6 9.8 0.4
192 -5 3 3 32.011 64.023 0.344 5.0 6 66.1 18.9
193 1 2 6 32.086 64.171 0.345 4.98 6 35.6 5.4
194 4 5 0 32.086 64.171 0.345 4.98 6 37.5 6.1
195 5 4 0 32.086 64.171 0.345 4.98 6 45.7 9.0
196 6 2 1 32.086 64.171 0.345 4.98 6 7.8 0.3
197 5 -3 3 32.283 64.566 0.347 4.91 6 15.7 1.0
198 5 3 -3 32.283 64.566 0.347 4.91 6 32.8 4.6
199 -1 4 5 32.309 64.617 0.347 4.9 6 8.2 0.3
200 5 4 -1 32.309 64.617 0.347 4.9 6 13.6 0.8
201 -6 2 2 32.46 64.92 0.348 4.85 6 44.1 8.2
202 3 4 4 32.537 65.074 0.349 4.83 6 64.5 17.4
203 1 4 5 32.713 65.426 0.351 4.77 6 29.6 3.6
204 5 4 1 32.713 65.426 0.351 4.77 6 52.3 11.3
205 6 -2 2 32.819 65.638 0.352 4.74 6 79.4 25.9
206 6 2 -2 32.819 65.638 0.352 4.74 6 88.5 32.1
207 -5 4 2 32.838 65.676 0.352 4.73 6 23.3 2.2
208 2 4 -5 32.838 65.676 0.352 4.73 6 34.2 4.8
209 2 -4 5 32.928 65.855 0.353 4.71 6 24.4 2.4
210 3 -6 0 32.928 65.855 0.353 4.71 6 5.2 0.1
211 5 -4 2 32.928 65.855 0.353 4.71 6 22.1 2.0
212 6 -3 0 32.928 65.855 0.353 4.71 6 1.7 0.0
213 -6 3 1 33.281 66.561 0.356 4.6 6 23.9 2.3
214 1 3 -6 33.281 66.561 0.356 4.6 6 28.2 3.2
215 5 3 3 33.357 66.714 0.357 4.58 6 72.0 20.5
216 -2 4 5 33.373 66.745 0.357 4.57 6 23.0 2.1
217 5 4 -2 33.373 66.745 0.357 4.57 6 64.8 16.6
218 1 -3 6 33.414 66.828 0.357 4.56 6 70.2 19.4
219 6 -3 1 33.414 66.828 0.357 4.56 6 48.9 9.4
220 6 2 2 33.531 67.062 0.359 4.53 6 51.2 10.3
221 3 6 0 33.727 67.453 0.36 4.47 6 11.1 0.5
222 6 3 0 33.727 67.453 0.36 4.47 6 3.3 0.0
223 -1 3 6 33.944 67.888 0.362 4.41 6 3.0 0.0
224 6 3 -1 33.944 67.888 0.362 4.41 6 1.5 0.0
225 2 4 5 34.167 68.333 0.365 4.35 6 2.0 0.0
226 5 4 2 34.167 68.333 0.365 4.35 6 30.0 3.4
227 4 -4 4 34.223 68.446 0.365 4.34 6 25.0 2.4
228 1 3 6 34.339 68.678 0.366 4.31 6 13.4 0.7
229 6 3 1 34.339 68.678 0.366 4.31 6 3.2 0.0
230 -6 3 2 34.461 68.921 0.367 4.28 6 40.5 6.1
231 2 3 -6 34.461 68.921 0.367 4.28 6 20.8 1.6
232 2 -3 6 34.722 69.445 0.37 4.21 6 81.8 24.4
233 6 -3 2 34.722 69.445 0.37 4.21 6 97.9 34.9
234 5 -5 0 34.85 69.7 0.371 4.18 6 38.4 5.3
235 -5 4 3 34.893 69.786 0.371 4.17 6 16.3 1.0
236 3 4 -5 34.893 69.786 0.371 4.17 6 10.6 0.4
237 -2 3 6 34.983 69.966 0.372 4.15 6 76.6 21.1
238 6 3 -2 34.983 69.966 0.372 4.15 6 45.3 7.4
239 7 0 0 34.983 69.966 0.372 4.15 6 53.3 10.2
240 3 -4 5 35.023 70.047 0.373 4.14 6 0.8 0.0
241 5 -4 3 35.023 70.047 0.373 4.14 6 12.5 0.6
242 -3 4 5 35.24 70.48 0.375 4.09 6 16.1 0.9
243 1 -7 0 35.24 70.48 0.375 4.09 6 16.3 0.9
244 5 4 -3 35.24 70.48 0.375 4.09 6 2.9 0.0
245 7 -1 0 35.24 70.48 0.375 4.09 6 15.1 0.8
246 1 -5 5 35.259 70.517 0.375 4.08 6 1.8 0.0
247 1 5 -5 35.259 70.517 0.375 4.08 6 22.6 1.8
248 -7 1 1 35.518 71.035 0.377 4.02 6 86.3 25.9
249 1 7 0 35.542 71.084 0.377 4.02 6 10.5 0.4
250 7 1 0 35.542 71.084 0.377 4.02 6 11.9 0.5
251 4 4 4 35.613 71.226 0.378 4.0 2 80.7 7.5
252 4 -6 0 35.687 71.373 0.379 3.99 6 14.6 0.7
253 6 -4 0 35.687 71.373 0.379 3.99 6 33.4 3.8
254 2 3 6 35.76 71.521 0.379 3.97 6 22.2 1.7
255 6 3 2 35.76 71.521 0.379 3.97 6 21.2 1.5
256 7 -1 1 35.776 71.552 0.379 3.97 6 10.5 0.4
257 7 1 -1 35.776 71.552 0.379 3.97 6 29.2 2.9
258 5 5 0 35.929 71.858 0.381 3.93 6 61.9 13.1
259 -6 4 1 36.049 72.097 0.382 3.91 6 22.9 1.8
260 1 4 -6 36.049 72.097 0.382 3.91 6 17.8 1.1
261 -1 5 5 36.119 72.238 0.383 3.89 6 15.5 0.8
262 7 1 1 36.119 72.238 0.383 3.89 6 6.2 0.1
263 1 -4 6 36.134 72.268 0.383 3.89 6 32.6 3.6
264 6 -4 1 36.134 72.268 0.383 3.89 6 31.3 3.3
265 2 -7 0 36.305 72.61 0.384 3.86 6 44.3 6.5
266 7 -2 0 36.305 72.61 0.384 3.86 6 28.6 2.7
267 3 4 5 36.4 72.799 0.385 3.84 6 1.2 0.0
268 5 4 3 36.4 72.799 0.385 3.84 6 31.4 3.3
269 -6 3 3 36.43 72.861 0.385 3.83 6 61.3 12.5
270 2 -5 5 36.473 72.946 0.386 3.82 6 20.2 1.4
271 2 5 -5 36.473 72.946 0.386 3.82 6 20.8 1.4
272 1 5 5 36.546 73.092 0.387 3.81 6 93.1 28.5
273 -7 2 1 36.601 73.201 0.387 3.8 6 78.0 20.0
274 1 2 -7 36.601 73.201 0.387 3.8 6 49.2 7.9
275 4 6 0 36.713 73.426 0.388 3.77 6 37.6 4.6
276 6 4 0 36.713 73.426 0.388 3.77 6 28.4 2.6
277 1 -2 7 36.813 73.627 0.389 3.76 6 17.9 1.0
278 6 -3 3 36.813 73.627 0.389 3.76 6 13.1 0.6
279 6 3 -3 36.813 73.627 0.389 3.76 6 24.9 2.0
280 7 -2 1 36.813 73.627 0.389 3.76 6 11.9 0.5
281 -1 4 6 36.901 73.803 0.39 3.74 6 17.1 0.9
282 2 7 0 36.901 73.803 0.39 3.74 6 25.2 2.1
283 6 4 -1 36.901 73.803 0.39 3.74 6 42.8 5.9
284 7 2 0 36.901 73.803 0.39 3.74 6 18.8 1.1
285 -2 5 5 37.11 74.221 0.392 3.7 6 22.7 1.7
286 -1 2 7 37.11 74.221 0.392 3.7 6 9.5 0.3
287 7 2 -1 37.11 74.221 0.392 3.7 6 5.9 0.1
288 -6 4 2 37.21 74.42 0.393 3.68 6 2.4 0.0
289 2 4 -6 37.21 74.42 0.393 3.68 6 30.5 3.0
290 1 4 6 37.325 74.65 0.394 3.66 6 47.5 7.1
291 6 4 1 37.325 74.65 0.394 3.66 6 22.4 1.6
292 2 -4 6 37.379 74.759 0.394 3.65 6 11.4 0.4
293 6 -4 2 37.379 74.759 0.394 3.65 6 1.4 0.0
294 1 2 7 37.491 74.982 0.395 3.63 6 2.0 0.0
295 7 2 1 37.491 74.982 0.395 3.63 6 12.3 0.5
296 -7 2 2 37.693 75.386 0.397 3.6 6 26.7 2.2
297 -5 4 4 37.693 75.386 0.397 3.6 6 9.2 0.3
298 5 -4 4 37.861 75.722 0.398 3.57 6 21.8 1.5
299 5 4 -4 37.861 75.722 0.398 3.57 6 45.8 6.5
300 -2 4 6 37.885 75.77 0.399 3.56 6 33.1 3.4
301 6 4 -2 37.885 75.77 0.399 3.56 6 4.2 0.1
302 2 5 5 37.954 75.908 0.399 3.55 6 55.3 9.4
303 6 3 3 37.954 75.908 0.399 3.55 6 33.9 3.5
304 7 -2 2 38.113 76.226 0.401 3.53 6 22.9 1.6
305 7 2 -2 38.113 76.226 0.401 3.53 6 38.1 4.4
306 3 -7 0 38.152 76.304 0.401 3.52 6 73.9 16.6
307 7 -3 0 38.152 76.304 0.401 3.52 6 57.2 10.0
308 -7 3 1 38.464 76.927 0.404 3.47 6 9.0 0.2
309 1 3 -7 38.464 76.927 0.404 3.47 6 40.4 4.9
310 3 -5 5 38.464 76.927 0.404 3.47 6 10.3 0.3
311 3 5 -5 38.464 76.927 0.404 3.47 6 0.3 0.0
312 1 -3 7 38.631 77.262 0.405 3.44 6 18.9 1.1
313 7 -3 1 38.631 77.262 0.405 3.44 6 50.7 7.7
314 2 4 6 38.723 77.446 0.406 3.43 6 62.5 11.6
315 6 4 2 38.723 77.446 0.406 3.43 6 53.9 8.6
316 7 2 2 38.866 77.733 0.407 3.41 6 49.1 7.1
317 -3 5 5 38.881 77.763 0.407 3.41 6 36.8 4.0
318 3 7 0 39.03 78.06 0.409 3.39 6 2.7 0.0
319 7 3 0 39.03 78.06 0.409 3.39 6 5.6 0.1
320 -6 4 3 39.146 78.293 0.41 3.37 6 38.4 4.3
321 3 4 -6 39.146 78.293 0.41 3.37 6 3.8 0.0
322 5 -6 0 39.146 78.293 0.41 3.37 6 27.6 2.2
323 6 -5 0 39.146 78.293 0.41 3.37 6 34.4 3.5
324 -1 3 7 39.215 78.429 0.41 3.36 6 35.2 3.6
325 7 3 -1 39.215 78.429 0.41 3.36 6 33.8 3.3
326 5 4 4 39.366 78.732 0.412 3.34 6 25.6 1.9
327 3 -4 6 39.396 78.792 0.412 3.33 6 67.7 13.2
328 6 -4 3 39.396 78.792 0.412 3.33 6 61.2 10.8
329 -6 5 1 39.518 79.035 0.413 3.32 6 25.8 1.9
330 1 5 -6 39.518 79.035 0.413 3.32 6 30.8 2.7
331 -7 3 2 39.559 79.118 0.413 3.31 6 1.3 0.0
332 1 -5 6 39.559 79.118 0.413 3.31 6 14.6 0.6
333 2 3 -7 39.559 79.118 0.413 3.31 6 8.1 0.2
334 6 -5 1 39.559 79.118 0.413 3.31 6 16.2 0.7
335 1 3 7 39.63 79.26 0.414 3.3 6 30.3 2.6
336 7 3 1 39.63 79.26 0.414 3.3 6 27.7 2.2
337 -3 4 6 39.645 79.29 0.414 3.3 6 26.9 2.1
338 6 4 -3 39.645 79.29 0.414 3.3 6 2.7 0.0
339 2 -3 7 39.891 79.781 0.416 3.27 6 4.2 0.1
340 7 -3 2 39.891 79.781 0.416 3.27 6 8.6 0.2
341 3 5 5 40.127 80.254 0.418 3.24 6 29.3 2.4
342 -2 3 7 40.18 80.361 0.419 3.23 6 12.3 0.4
343 7 3 -2 40.18 80.361 0.419 3.23 6 27.2 2.1
344 5 6 0 40.39 80.78 0.421 3.21 6 4.5 0.1
345 6 5 0 40.39 80.78 0.421 3.21 6 12.5 0.4
346 -1 5 6 40.552 81.104 0.422 3.19 6 34.5 3.3
347 6 5 -1 40.552 81.104 0.422 3.19 6 44.8 5.5
348 -6 5 2 40.667 81.334 0.423 3.17 6 39.8 4.4
349 2 5 -6 40.667 81.334 0.423 3.17 6 39.5 4.3
350 2 -5 6 40.75 81.499 0.424 3.17 6 1.7 0.0
351 4 -7 0 40.75 81.499 0.424 3.17 6 33.8 3.1
352 6 -5 2 40.75 81.499 0.424 3.17 6 16.2 0.7
353 7 -4 0 40.75 81.499 0.424 3.17 6 44.5 5.4
354 3 4 6 40.885 81.77 0.425 3.15 6 24.2 1.6
355 6 4 3 40.885 81.77 0.425 3.15 6 5.5 0.1
356 8 0 0 40.938 81.876 0.425 3.14 6 44.9 5.5
357 1 5 6 41.005 82.011 0.426 3.14 6 28.5 2.2
358 2 3 7 41.005 82.011 0.426 3.14 6 37.5 3.8
359 6 5 1 41.005 82.011 0.426 3.14 6 16.4 0.7
360 7 3 2 41.005 82.011 0.426 3.14 6 13.2 0.5
361 -7 4 1 41.076 82.152 0.427 3.13 6 0.8 0.0
362 1 4 -7 41.076 82.152 0.427 3.13 6 38.6 4.0
363 1 -8 0 41.161 82.323 0.427 3.12 6 30.1 2.4
364 8 -1 0 41.161 82.323 0.427 3.12 6 20.9 1.2
365 1 -4 7 41.2 82.399 0.428 3.12 6 7.8 0.2
366 4 -5 5 41.2 82.399 0.428 3.12 6 3.9 0.0
367 4 5 -5 41.2 82.399 0.428 3.12 6 5.8 0.1
368 7 -4 1 41.2 82.399 0.428 3.12 6 18.3 0.9
369 -8 1 1 41.405 82.81 0.429 3.1 6 58.5 9.2
370 -4 5 5 41.405 82.81 0.429 3.1 6 75.4 15.2
371 -7 3 3 41.423 82.845 0.429 3.09 6 14.4 0.6
372 -2 5 6 41.49 82.98 0.43 3.09 6 1.5 0.0
373 1 8 0 41.49 82.98 0.43 3.09 6 31.7 2.7
374 6 5 -2 41.49 82.98 0.43 3.09 6 10.5 0.3
375 8 1 0 41.49 82.98 0.43 3.09 6 13.4 0.5
376 8 -1 1 41.692 83.385 0.432 3.07 6 5.6 0.1
377 8 1 -1 41.692 83.385 0.432 3.07 6 10.4 0.3
378 -6 4 4 41.83 83.66 0.433 3.05 6 45.8 5.5
379 4 7 0 41.9 83.801 0.434 3.05 6 33.6 3.0
380 7 4 0 41.9 83.801 0.434 3.05 6 34.5 3.1
381 7 -3 3 41.915 83.83 0.434 3.05 6 32.6 2.8
382 7 3 -3 41.915 83.83 0.434 3.05 6 34.5 3.1
383 -1 4 7 42.062 84.123 0.435 3.03 6 63.4 10.5
384 7 4 -1 42.062 84.123 0.435 3.03 6 34.4 3.1
385 8 1 1 42.062 84.123 0.435 3.03 6 28.8 2.2
386 2 -8 0 42.158 84.316 0.436 3.02 6 27.4 2.0
387 6 -4 4 42.158 84.316 0.436 3.02 6 61.1 9.8
388 6 4 -4 42.158 84.316 0.436 3.02 6 30.4 2.4
389 8 -2 0 42.158 84.316 0.436 3.02 6 31.1 2.5
390 -7 4 2 42.176 84.351 0.436 3.02 6 35.0 3.2
391 2 4 -7 42.176 84.351 0.436 3.02 6 25.9 1.8
392 2 5 6 42.392 84.784 0.438 3.0 6 2.7 0.0
393 6 5 2 42.392 84.784 0.438 3.0 6 16.5 0.7
394 -8 2 1 42.421 84.843 0.438 3.0 6 18.0 0.8
395 1 2 -8 42.421 84.843 0.438 3.0 6 11.3 0.3
396 2 -4 7 42.421 84.843 0.438 3.0 6 24.5 1.6
397 7 -4 2 42.421 84.843 0.438 3.0 6 21.1 1.2
398 1 4 7 42.512 85.024 0.439 2.99 6 31.2 2.5
399 7 4 1 42.512 85.024 0.439 2.99 6 3.5 0.0
400 -6 5 3 42.582 85.164 0.439 2.99 6 24.2 1.5
401 3 5 -6 42.582 85.164 0.439 2.99 6 49.6 6.4
402 1 -2 8 42.667 85.334 0.44 2.98 6 19.1 0.9
403 8 -2 1 42.667 85.334 0.44 2.98 6 31.4 2.5
404 3 -5 6 42.705 85.41 0.44 2.98 6 35.1 3.2
405 6 -5 3 42.705 85.41 0.44 2.98 6 24.8 1.6
406 2 8 0 42.813 85.626 0.441 2.97 6 38.6 3.8
407 8 2 0 42.813 85.626 0.441 2.97 6 37.7 3.7
408 -2 4 7 42.994 85.988 0.443 2.95 6 2.1 0.0
409 -1 2 8 42.994 85.988 0.443 2.95 6 17.7 0.8
410 7 4 -2 42.994 85.988 0.443 2.95 6 14.6 0.5
411 8 2 -1 42.994 85.988 0.443 2.95 6 13.2 0.4
412 4 5 5 43.043 86.087 0.443 2.95 6 1.3 0.0
413 7 3 3 43.143 86.285 0.444 2.94 6 16.4 0.7
414 -3 5 6 43.195 86.391 0.444 2.94 6 1.4 0.0
415 6 5 -3 43.195 86.391 0.444 2.94 6 6.6 0.1
416 6 -6 0 43.292 86.583 0.445 2.93 6 38.4 3.7
417 1 2 8 43.402 86.805 0.446 2.92 6 2.3 0.0
418 8 2 1 43.402 86.805 0.446 2.92 6 35.5 3.2
419 -8 2 2 43.455 86.91 0.446 2.92 6 43.6 4.8
420 1 -6 6 43.677 87.353 0.448 2.91 6 3.5 0.0
421 1 6 -6 43.677 87.353 0.448 2.91 6 15.5 0.6
422 6 4 4 43.793 87.586 0.449 2.9 6 18.9 0.9
423 2 4 7 43.892 87.784 0.45 2.89 6 30.1 2.3
424 7 4 2 43.892 87.784 0.45 2.89 6 20.0 1.0
425 3 -8 0 43.921 87.843 0.45 2.89 6 3.7 0.0
426 8 -3 0 43.921 87.843 0.45 2.89 6 8.1 0.2
427 8 -2 2 43.945 87.889 0.45 2.89 6 16.3 0.7
428 8 2 -2 43.945 87.889 0.45 2.89 6 3.0 0.0
429 -7 4 3 44.041 88.082 0.451 2.88 6 19.0 0.9
430 3 4 -7 44.041 88.082 0.451 2.88 6 24.1 1.4
431 5 -7 0 44.082 88.163 0.452 2.88 6 15.3 0.6
432 7 -5 0 44.082 88.163 0.452 2.88 6 2.0 0.0
433 -8 3 1 44.204 88.408 0.453 2.87 6 16.3 0.7
434 1 3 -8 44.204 88.408 0.453 2.87 6 23.8 1.4
435 1 -3 8 44.408 88.816 0.454 2.86 6 34.5 3.0
436 3 -4 7 44.408 88.816 0.454 2.86 6 15.0 0.6
437 7 -4 3 44.408 88.816 0.454 2.86 6 27.0 1.8
438 8 -3 1 44.408 88.816 0.454 2.86 6 32.6 2.6
439 -7 5 1 44.425 88.851 0.454 2.86 6 41.2 4.2
440 1 5 -7 44.425 88.851 0.454 2.86 6 42.1 4.4
441 1 -5 7 44.507 89.014 0.455 2.85 6 0.4 0.0
442 7 -5 1 44.507 89.014 0.455 2.85 6 32.0 2.5
443 3 5 6 44.542 89.083 0.455 2.85 6 6.4 0.1
444 6 5 3 44.542 89.083 0.455 2.85 6 6.5 0.1
445 5 -5 5 44.67 89.34 0.456 2.85 6 2.0 0.0
446 -3 4 7 44.693 89.386 0.457 2.84 6 37.8 3.5
447 7 4 -3 44.693 89.386 0.457 2.84 6 11.9 0.4
448 6 6 0 44.76 89.52 0.457 2.84 6 15.4 0.6
449 8 2 2 44.76 89.52 0.457 2.84 6 15.2 0.6
450 2 -6 6 44.83 89.66 0.458 2.84 6 4.3 0.0
451 2 6 -6 44.83 89.66 0.458 2.84 6 7.6 0.1
452 -1 6 6 44.9 89.8 0.458 2.83 6 8.4 0.2
453 3 8 0 44.9 89.8 0.458 2.83 6 0.3 0.0
454 8 3 0 44.9 89.8 0.458 2.83 6 25.4 1.6
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 4.698 9.396 9.40455 2440.6 100.0 100.0 5.6
2 1 -1 0 6.562 13.125 6.73997 992.1 40.6 40.6 5.6
3 1 1 0 6.74 13.479 6.56358 113.4 4.6 4.6 5.6
4 2 0 0 9.428 18.856 4.70228 25.1 1.0 1.0 5.6
5 1 -2 0 10.439 20.878 4.25117 794.2 32.5 32.3 5.6
6 -2 1 1 11.417 22.834 3.89132 50.3 2.1 2.0 5.6
7 2 1 -1 11.522 23.043 3.85647 49.1 2.0 2.0 5.6
8 2 1 1 11.83 23.66 3.75728 151.4 6.2 6.1 5.6
9 2 2 0 13.575 27.149 3.28179 104.5 4.3 4.2 5.6
10 1 -2 2 14.052 28.104 3.17246 48.2 2.0 1.9 5.6
11 1 2 2 14.563 29.125 3.06349 169.5 6.9 6.9 5.6
12 3 1 0 15.133 30.266 2.9506 75.1 3.1 3.0 5.6
13 -3 1 1 15.566 31.133 2.87038 535.6 21.9 21.6 5.6
14 3 1 1 16.033 32.066 2.78892 67.2 2.8 2.7 5.6
15 2 -2 2 16.332 32.665 2.73918 37.6 1.5 1.5 5.6
16 2 2 2 16.927 33.854 2.64562 39.0 1.6 1.6 5.7
17 2 -3 0 16.958 33.917 2.64087 42.3 1.7 1.7 5.7
18 3 2 0 17.392 34.784 2.57701 89.5 3.7 3.6 5.7
19 3 -2 1 17.671 35.341 2.53762 31.4 1.3 1.3 5.7
20 3 2 -1 17.881 35.762 2.50873 35.6 1.5 1.4 5.7
21 -4 1 1 20.114 40.228 2.23989 80.1 3.3 3.2 5.7
22 1 3 -3 20.641 41.281 2.18517 110.8 4.5 4.4 5.7
23 -1 3 3 21.009 42.017 2.14858 32.5 1.3 1.3 5.7
24 1 2 -4 21.751 43.501 2.07865 28.9 1.2 1.2 5.7
25 4 2 -1 22.104 44.207 2.04708 25.9 1.1 1.0 5.7
26 5 0 0 24.175 48.35 1.88091 46.0 1.9 1.8 5.7
27 -4 3 1 24.334 48.669 1.86933 38.9 1.6 1.5 5.7
28 4 -3 1 24.389 48.777 1.86543 27.5 1.1 1.1 5.7
29 5 1 0 24.819 49.639 1.83505 97.6 4.0 3.9 5.7
30 5 -1 1 25.162 50.323 1.81169 25.8 1.1 1.0 5.8
31 -1 2 5 26.731 53.462 1.71249 38.5 1.6 1.5 5.8
32 4 -4 0 27.203 54.406 1.68499 72.3 3.0 2.8 5.8
33 4 3 -3 28.309 56.617 1.62431 26.2 1.1 1.0 5.8
34 1 -6 0 29.74 59.48 1.55279 27.2 1.1 1.1 5.8
35 5 -4 0 31.173 62.346 1.48812 43.0 1.8 1.7 5.8
36 6 2 -2 32.819 65.638 1.42122 65.0 2.7 2.5 5.9
37 5 3 3 33.357 66.714 1.40089 39.2 1.6 1.5 5.9
38 1 -3 6 33.414 66.828 1.39877 28.9 1.2 1.1 5.9
39 6 -3 2 34.722 69.445 1.35232 59.3 2.4 2.3 5.9
40 -2 3 6 34.983 69.966 1.34351 38.6 1.6 1.5 5.9
41 -7 1 1 35.518 71.035 1.32589 26.8 1.1 1.0 5.9
42 1 5 5 36.546 73.092 1.29357 28.5 1.2 1.1 6.0
43 -7 2 1 36.601 73.201 1.29191 28.0 1.1 1.1 6.0
44 3 -7 0 38.152 76.304 1.24691 26.6 1.1 1.0 6.0
45 6 -4 3 39.396 78.792 1.21366 25.9 1.1 1.0 6.0
46 -4 5 5 41.405 82.81 1.16466 25.0 1.0 0.9 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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