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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PYROPHYLLITE
1, 1TC, f-talc-pyrophyllite, s-pyrophyllite
Al[Si(2)O(5)](OH)
Triclinic C 1(-) Z = 4
R =0.06
20 .5 .1988
Ref.Str.:
Lee Y.H., Guggenheim S. (1981)
* Amer. Mineral., 66, 350-357
Reserv:
See U(jj) in the original, Al(1.97)Fe(0.03)[Si(3.98)Al(0.02)]O(10)(OH)(2)
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.16 alpha = 91.18
b = 8.966 beta = 100.46
c = 9.34 gamma = 89.64
Unit cell volume (cub. angs.) = 424.84
Molar volume ( cub.cm/mol.) = 63.97
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4995 0.1671 0.9999 0.7 Al = 1.00
2 0.7449 0.997 0.2917 0.68 Si = 1.00
3 0.7595 0.3258 0.2923 0.7 Si = 1.00
4 0.6495 0.0018 0.1155 0.89 O = 1.00
5 0.7314 0.3079 0.1158 0.84 O = 1.00
6 0.2263 0.1927 0.1081 1.0 O = 1.00
7 0.0498 0.3891 0.3589 0.95 O = 1.00
8 0.7251 0.1637 0.3584 0.95 O = 1.00
9 0.5452 0.4426 0.3325 1.01 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4995 0.1671 0.9999
2 2 0.7449 0.997 0.2917
3 3 0.7595 0.3258 0.2923
4 4 0.6495 0.0018 0.1155
5 5 0.7314 0.3079 0.1158
6 6 0.2263 0.1927 0.1081
7 7 0.0498 0.3891 0.3589
8 8 0.7251 0.1637 0.3584
9 9 0.5452 0.4426 0.3325
10 1 0.5005 0.8329 0.0
11 2 0.2551 0.003 0.7083
12 3 0.2405 0.6742 0.7077
13 4 0.3505 0.9982 0.8845
14 5 0.2686 0.6921 0.8842
15 6 0.7737 0.8073 0.8919
16 7 0.9502 0.6109 0.6411
17 8 0.2749 0.8363 0.6416
18 9 0.4548 0.5574 0.6675
19 1 0.0005 0.3329 0.0
20 2 0.7551 0.503 0.7083
21 3 0.7405 0.1742 0.7077
22 4 0.8505 0.4982 0.8845
23 5 0.7686 0.1921 0.8842
24 6 0.2737 0.3073 0.8919
25 7 0.4502 0.1109 0.6411
26 8 0.7749 0.3363 0.6416
27 9 0.9548 0.0574 0.6675
28 1 0.9995 0.6671 0.0
29 2 0.2449 0.497 0.2917
30 3 0.2595 0.8258 0.2923
31 4 0.1495 0.5018 0.1155
32 5 0.2314 0.8079 0.1158
33 6 0.7263 0.6927 0.1081
34 7 0.5498 0.8891 0.3589
35 8 0.2251 0.6637 0.3584
36 9 0.0452 0.9426 0.3325
X-ray density (g/cm cub.) = 2.8
MU (1/cm) = 90.951 Mass attenuation coefficient (cm**2/g) = 32.483
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.316 6
1.9256 4
1.9211 5
1.888 6
1.9214 4
1.925 5
1.8878 6
2 Si 2.1 4
1.6312 4
1.6175 8
1.6154 7
1.6024 9
3 Si 2.1 4
1.6331 5
1.6159 7
1.6138 8
1.6065 9
4 O 3.264 10
2.7793 5
2.7579 6
2.6375 8
2.4136 4
2.8522 6
2.9331 5
2.7796 5
2.7983 6
2.6419 7
2.6621 9
5 O 3.264 10
2.7793 4
2.7611 6
2.7978 6
2.6414 7
2.6372 8
2.6588 9
2.9331 4
2.4186 5
2.8561 6
2.7796 4
6 O 3.264 9
2.7579 4
2.7978 5
2.7611 5
3.1626 7
3.1606 8
2.8522 4
2.8561 5
2.3369 6
2.7983 4
7 O 3.264 8
2.6414 5
3.1626 6
2.6326 8
2.6598 9
2.6127 9
3.26 8
2.6419 4
2.6287 8
8 O 3.264 10
2.6375 4
2.6372 5
3.1606 6
2.6326 7
2.6622 9
3.26 7
3.0078 8
3.083 9
2.6287 7
2.6078 9
9 O 3.264 7
2.6588 5
2.6127 7
2.6598 7
2.6622 8
3.083 8
2.6621 4
2.6078 8
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 0 0 1 4.812 9.623 0.054 281.27 2 37.9 448.3
2 0 0 2 9.658 19.315 0.109 68.14 2 52.1 204.7
3 0 2 0 9.896 19.792 0.112 64.8 2 3.3 0.8
4 1 1 0 10.035 20.069 0.113 62.96 2 26.3 48.4
5 -1 1 0 10.057 20.114 0.113 62.67 2 98.8 678.2
6 -1 -1 1 10.384 20.769 0.117 58.65 2 85.5 475.2
7 -1 1 1 10.498 20.995 0.118 57.34 2 46.8 139.2
8 0 -2 1 10.938 21.875 0.123 52.65 2 99.0 572.3
9 0 2 1 11.112 22.223 0.125 50.95 2 13.7 10.6
10 1 -1 1 11.807 23.614 0.133 44.89 2 34.8 60.3
11 1 1 1 11.869 23.738 0.134 44.4 2 20.8 21.2
12 -1 -1 2 12.748 25.496 0.143 38.21 2 50.6 108.5
13 -1 1 2 12.917 25.833 0.145 37.17 2 40.2 66.4
14 0 -2 2 13.756 27.511 0.154 32.53 2 11.7 4.9
15 0 2 2 14.036 28.072 0.157 31.17 2 82.0 232.0
16 0 0 3 14.575 29.15 0.163 28.76 2 128.0 522.4
17 1 -1 2 15.037 30.074 0.168 26.9 2 13.4 5.4
18 1 1 2 15.152 30.303 0.17 26.47 2 78.9 182.6
19 -1 -1 3 16.32 32.641 0.182 22.55 2 38.5 37.1
20 -1 1 3 16.515 33.031 0.185 21.98 2 45.4 50.3
21 1 3 0 17.387 34.774 0.194 19.65 2 37.3 30.3
22 -1 3 0 17.428 34.855 0.194 19.55 2 49.8 53.8
23 -2 0 1 17.455 34.909 0.195 19.49 2 57.4 71.1
24 -1 -3 1 17.543 35.086 0.196 19.27 2 80.6 138.6
25 0 -2 3 17.572 35.145 0.196 19.2 2 31.7 21.3
26 2 0 0 17.674 35.348 0.197 18.96 2 74.6 117.0
27 -1 3 1 17.753 35.506 0.198 18.78 2 80.4 134.5
28 0 2 3 17.91 35.82 0.2 18.42 2 15.5 4.9
29 1 -3 1 18.483 36.966 0.206 17.19 2 90.9 157.5
30 1 3 1 18.607 37.214 0.207 16.94 2 102.5 197.3
31 -2 0 2 18.609 37.219 0.207 16.93 2 89.4 150.1
32 -1 -3 2 19.046 38.092 0.212 16.09 2 12.6 2.8
33 1 -1 3 19.077 38.155 0.212 16.03 2 46.4 38.3
34 1 1 3 19.223 38.446 0.214 15.76 2 15.2 4.0
35 2 0 1 19.228 38.455 0.214 15.75 2 29.7 15.4
36 -1 3 2 19.398 38.797 0.216 15.45 2 19.2 6.3
37 0 0 4 19.604 39.209 0.218 15.09 2 34.4 19.8
38 0 4 0 20.104 40.207 0.223 14.27 2 5.0 0.4
39 -2 -2 1 20.15 40.3 0.224 14.2 2 2.9 0.1
40 -2 2 1 20.298 40.597 0.225 13.97 2 20.7 6.7
41 2 2 0 20.395 40.789 0.226 13.82 2 22.8 8.0
42 -2 2 0 20.442 40.884 0.227 13.75 2 5.4 0.5
43 -1 -1 4 20.558 41.116 0.228 13.58 2 19.0 5.4
44 0 -4 1 20.621 41.243 0.229 13.48 2 9.7 1.4
45 1 -3 2 20.737 41.475 0.23 13.32 2 54.7 44.1
46 -1 1 4 20.768 41.536 0.23 13.27 2 21.5 6.8
47 0 4 1 20.819 41.638 0.231 13.2 2 15.5 3.5
48 -2 0 3 20.944 41.888 0.232 13.02 2 53.2 40.9
49 1 3 2 20.997 41.994 0.233 12.95 2 69.1 68.6
50 -2 -2 2 21.131 42.262 0.234 12.77 2 17.2 4.2
51 -2 2 2 21.37 42.74 0.237 12.45 2 29.3 11.9
52 -1 -3 3 21.656 43.313 0.24 12.08 2 84.6 95.8
53 2 -2 1 21.781 43.563 0.241 11.93 2 24.0 7.6
54 2 2 1 21.831 43.662 0.241 11.87 2 30.7 12.4
55 2 0 2 21.874 43.748 0.242 11.81 2 77.3 78.3
56 0 -2 4 21.959 43.918 0.243 11.71 2 38.3 19.0
57 -1 3 3 22.115 44.23 0.244 11.53 2 76.4 74.5
58 0 -4 2 22.302 44.603 0.246 11.31 2 6.6 0.5
59 0 2 4 22.333 44.666 0.247 11.27 2 32.3 13.1
60 0 4 2 22.671 45.343 0.25 10.9 2 51.9 32.5
61 -2 -2 3 23.211 46.422 0.256 10.33 2 37.2 15.8
62 -2 2 3 23.523 47.045 0.259 10.03 2 13.1 1.9
63 1 -1 4 23.611 47.221 0.26 9.94 2 12.1 1.6
64 1 1 4 23.778 47.556 0.262 9.78 2 15.0 2.4
65 1 -3 3 23.914 47.828 0.263 9.66 2 49.4 26.1
66 2 -2 2 24.157 48.313 0.266 9.44 2 13.4 1.9
67 -2 0 4 24.181 48.361 0.266 9.42 2 50.3 26.4
68 1 3 3 24.278 48.555 0.267 9.33 2 29.8 9.2
69 2 2 2 24.29 48.58 0.267 9.32 2 33.5 11.6
70 0 0 5 24.797 49.594 0.272 8.89 2 78.9 61.4
71 0 -4 3 24.958 49.916 0.274 8.76 2 61.2 36.4
72 -1 -3 4 25.102 50.203 0.275 8.65 2 37.8 13.7
73 -1 -1 5 25.233 50.466 0.277 8.55 2 40.0 15.1
74 2 0 3 25.344 50.688 0.278 8.46 2 12.8 1.5
75 -1 1 5 25.454 50.908 0.279 8.38 2 14.4 1.9
76 0 4 3 25.467 50.934 0.279 8.37 2 2.1 0.0
77 -1 3 4 25.638 51.276 0.281 8.24 2 18.7 3.2
78 -2 -2 4 26.188 52.377 0.286 7.85 2 46.4 18.8
79 -2 2 4 26.556 53.111 0.29 7.61 2 38.8 12.7
80 0 -2 5 26.75 53.5 0.292 7.48 2 22.2 4.1
81 -2 -4 1 27.023 54.046 0.295 7.31 2 50.8 20.9
82 1 5 0 27.085 54.169 0.296 7.27 2 47.6 18.3
83 -3 -1 1 27.096 54.192 0.296 7.27 2 21.2 3.6
84 -1 5 0 27.132 54.265 0.296 7.25 2 20.2 3.3
85 0 2 5 27.154 54.308 0.296 7.23 2 33.5 9.0
86 -1 -5 1 27.155 54.309 0.296 7.23 2 29.4 6.9
87 -3 1 1 27.165 54.33 0.296 7.23 2 14.8 1.8
88 2 4 0 27.259 54.518 0.297 7.17 2 27.7 6.1
89 -2 4 1 27.26 54.52 0.297 7.17 2 33.6 9.0
90 -2 4 0 27.335 54.67 0.298 7.12 2 65.5 33.9
91 2 -2 3 27.368 54.735 0.298 7.1 2 57.8 26.3
92 -1 5 1 27.403 54.805 0.299 7.08 2 22.9 4.1
93 2 2 3 27.569 55.139 0.3 6.99 2 18.9 2.8
94 -3 -1 2 27.585 55.169 0.301 6.98 2 33.4 8.6
95 3 1 0 27.595 55.191 0.301 6.97 2 36.8 10.5
96 -3 1 0 27.624 55.247 0.301 6.96 2 50.3 19.5
97 -3 1 2 27.692 55.385 0.302 6.92 2 72.5 40.3
98 -2 -4 2 27.775 55.55 0.302 6.87 2 33.6 8.6
99 1 -3 4 27.788 55.576 0.303 6.86 2 83.5 53.0
100 1 -5 1 27.848 55.696 0.303 6.83 2 52.2 20.6
101 1 5 1 27.999 55.998 0.305 6.75 2 4.8 0.2
102 -2 0 5 28.101 56.202 0.306 6.69 2 85.3 54.0
103 -2 4 2 28.165 56.33 0.306 6.66 2 17.5 2.3
104 -1 -5 2 28.203 56.407 0.307 6.64 2 46.6 16.0
105 1 3 4 28.233 56.465 0.307 6.62 2 92.3 62.6
106 2 -4 1 28.385 56.77 0.309 6.54 2 42.7 13.2
107 0 -4 4 28.396 56.792 0.309 6.53 2 0.6 0.0
108 2 4 1 28.467 56.934 0.309 6.5 2 3.3 0.1
109 1 -1 5 28.527 57.054 0.31 6.47 2 1.1 0.0
110 -1 5 2 28.64 57.28 0.311 6.41 2 28.3 5.7
111 1 1 5 28.712 57.424 0.312 6.37 2 43.1 13.1
112 0 4 4 29.016 58.033 0.315 6.22 2 4.5 0.1
113 -3 -1 3 29.028 58.056 0.315 6.22 2 58.4 23.5
114 3 -1 1 29.038 58.075 0.315 6.21 2 41.5 11.8
115 3 1 1 29.049 58.097 0.315 6.21 2 9.6 0.6
116 -3 1 3 29.171 58.341 0.316 6.15 2 13.1 1.2
117 -1 -3 5 29.187 58.374 0.317 6.14 2 21.7 3.2
118 2 0 4 29.449 58.899 0.319 6.02 2 9.2 0.6
119 -2 -4 3 29.465 58.929 0.319 6.01 2 17.3 2.0
120 1 -5 2 29.502 59.004 0.32 5.99 2 45.5 13.7
121 -1 3 5 29.786 59.572 0.322 5.87 2 18.6 2.3
122 1 5 2 29.837 59.674 0.323 5.84 2 27.7 5.0
123 -2 -2 5 29.886 59.772 0.323 5.82 2 8.2 0.4
124 -2 4 3 29.992 59.984 0.324 5.78 2 59.0 22.3
125 -1 -5 3 30.164 60.329 0.326 5.7 2 10.8 0.7
126 0 0 6 30.218 60.435 0.327 5.68 2 41.5 10.8
127 -1 -1 6 30.278 60.557 0.327 5.66 2 18.0 2.0
128 -2 2 5 30.298 60.597 0.327 5.65 2 61.4 23.6
129 2 -4 2 30.343 60.687 0.328 5.63 2 4.4 0.1
130 -1 1 6 30.512 61.024 0.33 5.56 2 10.2 0.6
131 2 4 2 30.572 61.143 0.33 5.54 2 41.8 10.7
132 -1 5 3 30.769 61.539 0.332 5.46 2 36.7 8.1
133 -3 -3 1 31.019 62.038 0.335 5.36 2 112.9 75.7
134 0 6 0 31.036 62.072 0.335 5.35 2 114.8 78.2
135 -3 3 1 31.209 62.417 0.336 5.29 2 111.4 72.7
136 2 -2 4 31.258 62.516 0.337 5.27 2 43.2 10.9
137 3 -1 2 31.325 62.649 0.337 5.25 2 24.8 3.6
138 -3 -1 4 31.342 62.685 0.338 5.24 2 5.4 0.2
139 3 1 2 31.372 62.744 0.338 5.23 2 35.4 7.3
140 0 -6 1 31.38 62.761 0.338 5.22 2 21.0 2.5
141 -3 -3 2 31.432 62.864 0.339 5.21 2 13.7 1.1
142 3 3 0 31.515 63.031 0.339 5.18 2 54.3 16.9
143 -3 1 4 31.515 63.031 0.339 5.18 2 2.3 0.0
144 2 2 4 31.517 63.034 0.339 5.18 2 67.1 25.8
145 -3 3 0 31.593 63.187 0.34 5.15 2 44.2 11.1
146 0 6 1 31.6 63.201 0.34 5.15 2 46.7 12.4
147 -3 3 2 31.73 63.46 0.341 5.1 2 29.0 4.7
148 0 -2 6 31.91 63.821 0.343 5.04 2 22.8 2.9
149 -2 -4 4 32.001 64.001 0.344 5.01 2 46.1 11.8
150 1 -5 3 32.005 64.01 0.344 5.0 2 3.0 0.1
151 1 -3 5 32.23 64.46 0.346 4.93 2 49.4 13.3
152 0 2 6 32.346 64.692 0.347 4.89 2 27.9 4.2
153 0 -4 5 32.478 64.956 0.349 4.85 2 24.9 3.3
154 1 5 3 32.505 65.01 0.349 4.84 2 46.8 11.7
155 -2 0 6 32.584 65.168 0.35 4.81 2 42.5 9.7
156 0 -6 2 32.617 65.234 0.35 4.8 2 9.5 0.5
157 -2 4 4 32.648 65.295 0.35 4.79 2 21.3 2.4
158 -3 -3 3 32.735 65.469 0.351 4.77 2 5.3 0.1
159 1 3 5 32.745 65.491 0.351 4.76 2 55.5 16.2
160 3 -3 1 32.866 65.733 0.352 4.73 2 22.4 2.6
161 3 3 1 32.897 65.795 0.353 4.72 2 21.6 2.4
162 -1 -5 4 32.941 65.882 0.353 4.7 2 39.2 8.0
163 0 6 2 33.047 66.095 0.354 4.67 2 21.7 2.4
164 2 -4 3 33.116 66.233 0.355 4.65 2 22.3 2.6
165 -3 3 3 33.133 66.266 0.355 4.64 2 19.1 1.9
166 0 4 5 33.195 66.39 0.355 4.63 2 79.1 32.1
167 2 4 3 33.476 66.952 0.358 4.54 2 35.2 6.2
168 -1 5 4 33.695 67.39 0.36 4.48 2 6.3 0.2
169 -1 -3 6 33.817 67.633 0.361 4.45 2 145.4 104.2
170 1 -1 6 33.821 67.643 0.361 4.45 2 22.0 2.4
171 1 1 6 34.025 68.049 0.363 4.39 2 10.6 0.5
172 2 0 5 34.098 68.197 0.364 4.37 2 124.7 75.4
173 -2 -2 6 34.195 68.391 0.365 4.35 2 53.4 13.7
174 3 -1 3 34.391 68.782 0.367 4.3 2 45.1 9.7
175 -3 -1 5 34.434 68.867 0.367 4.28 2 17.0 1.4
176 3 1 3 34.471 68.943 0.367 4.28 2 20.5 2.0
177 -1 3 6 34.475 68.95 0.367 4.27 2 125.9 75.1
178 -3 1 5 34.633 69.267 0.369 4.23 2 35.1 5.8
179 -2 2 6 34.649 69.298 0.369 4.23 2 14.5 1.0
180 0 -6 3 34.696 69.392 0.369 4.22 2 64.3 19.3
181 -3 -3 4 34.875 69.75 0.371 4.17 2 65.8 20.0
182 3 -3 2 34.977 69.955 0.372 4.15 2 47.9 10.6
183 3 3 2 35.112 70.224 0.373 4.12 2 32.9 4.9
184 1 -5 4 35.265 70.529 0.375 4.08 2 21.4 2.1
185 -2 -4 5 35.291 70.581 0.375 4.08 2 6.0 0.2
186 0 6 3 35.322 70.644 0.375 4.07 2 37.3 6.3
187 -3 3 4 35.366 70.732 0.376 4.06 2 57.2 14.7
188 -1 -1 7 35.716 71.432 0.379 3.98 2 3.1 0.0
189 2 -2 5 35.744 71.487 0.379 3.97 2 14.9 1.0
190 1 5 4 35.914 71.829 0.381 3.94 2 7.5 0.2
191 0 0 7 35.956 71.913 0.381 3.93 2 60.4 15.9
192 -1 1 7 35.965 71.93 0.381 3.93 2 26.9 3.1
193 -2 4 5 36.046 72.091 0.382 3.91 2 17.8 1.4
194 2 2 5 36.055 72.11 0.382 3.91 2 34.3 5.1
195 -1 -5 5 36.449 72.899 0.386 3.83 2 19.6 1.6
196 -2 -6 1 36.467 72.935 0.386 3.82 2 55.9 13.3
197 2 -4 4 36.621 73.243 0.387 3.79 2 35.8 5.4
198 2 6 0 36.702 73.404 0.388 3.78 2 65.2 17.8
199 -4 0 1 36.706 73.412 0.388 3.78 2 12.3 0.6
200 -2 6 1 36.769 73.538 0.389 3.76 2 33.7 4.7
201 -2 6 0 36.799 73.597 0.389 3.76 2 60.5 15.2
202 -4 0 2 36.863 73.725 0.389 3.75 2 54.7 12.4
203 -2 -6 2 37.074 74.148 0.391 3.71 2 82.7 28.1
204 2 4 4 37.102 74.203 0.392 3.7 2 1.5 0.0
205 0 -4 6 37.144 74.288 0.392 3.69 2 61.4 15.4
206 1 -3 6 37.203 74.406 0.392 3.68 2 43.0 7.5
207 -1 5 5 37.341 74.681 0.394 3.66 2 35.9 5.2
208 4 0 0 37.388 74.776 0.394 3.65 2 104.6 44.3
209 0 -2 7 37.483 74.967 0.395 3.63 2 14.7 0.9
210 0 -6 4 37.557 75.114 0.396 3.62 2 15.3 0.9
211 -2 6 2 37.577 75.154 0.396 3.62 2 98.8 39.1
212 -2 0 7 37.598 75.196 0.396 3.61 2 45.7 8.4
213 2 -6 1 37.665 75.33 0.397 3.6 2 44.9 8.1
214 2 6 1 37.772 75.543 0.398 3.58 2 23.4 2.2
215 1 3 6 37.788 75.576 0.398 3.58 2 58.3 13.5
216 -3 -3 5 37.794 75.587 0.398 3.58 2 8.7 0.3
217 -4 0 3 37.854 75.709 0.398 3.57 2 58.5 13.5
218 3 -3 3 37.868 75.736 0.398 3.57 2 43.5 7.5
219 0 4 6 37.955 75.911 0.399 3.55 2 9.9 0.4
220 0 2 7 37.956 75.912 0.399 3.55 2 11.1 0.5
221 3 3 3 38.1 76.199 0.401 3.53 2 43.0 7.2
222 3 -1 4 38.167 76.334 0.401 3.52 2 37.7 5.5
223 -3 -5 1 38.218 76.435 0.402 3.51 2 38.8 5.8
224 -3 -1 6 38.233 76.465 0.402 3.51 2 13.3 0.7
225 3 1 4 38.278 76.556 0.402 3.5 2 29.1 3.3
226 1 7 0 38.315 76.63 0.402 3.49 2 4.9 0.1
227 -1 -7 1 38.34 76.68 0.403 3.49 2 78.7 24.0
228 0 6 4 38.366 76.731 0.403 3.49 2 39.1 5.9
229 -3 3 5 38.37 76.74 0.403 3.48 2 30.3 3.5
230 -1 7 0 38.371 76.742 0.403 3.48 2 68.1 17.9
231 -4 -2 1 38.391 76.783 0.403 3.48 2 61.8 14.7
232 -3 1 6 38.458 76.916 0.404 3.47 2 19.5 1.5
233 -3 5 1 38.505 77.009 0.404 3.46 2 7.6 0.2
234 -2 -6 3 38.507 77.015 0.404 3.46 2 13.6 0.7
235 -4 -2 2 38.512 77.024 0.404 3.46 2 32.9 4.2
236 -4 2 1 38.522 77.044 0.404 3.46 2 6.5 0.2
237 -3 -5 2 38.56 77.12 0.405 3.45 2 67.8 17.6
238 -1 7 1 38.63 77.26 0.405 3.44 2 27.5 2.9
239 3 5 0 38.703 77.406 0.406 3.43 2 42.0 6.7
240 -4 2 2 38.71 77.419 0.406 3.43 2 30.4 3.5
241 -3 5 0 38.822 77.644 0.407 3.42 2 39.2 5.8
242 4 0 1 38.893 77.787 0.408 3.4 2 5.9 0.1
243 1 -7 1 38.938 77.876 0.408 3.4 2 30.1 3.4
244 -1 -3 7 38.981 77.963 0.408 3.39 2 12.0 0.5
245 -3 5 2 39.013 78.027 0.409 3.39 2 39.9 6.0
246 -2 -2 7 39.086 78.173 0.409 3.38 2 34.8 4.5
247 4 2 0 39.097 78.194 0.409 3.38 2 4.1 0.1
248 1 7 1 39.117 78.233 0.41 3.37 2 27.4 2.8
249 -4 2 0 39.16 78.32 0.41 3.37 2 49.4 9.1
250 -1 -7 2 39.19 78.38 0.41 3.36 2 16.6 1.0
251 -2 6 3 39.204 78.409 0.41 3.36 2 6.0 0.1
252 1 -5 5 39.223 78.446 0.41 3.36 2 7.6 0.2
253 -2 -4 6 39.277 78.554 0.411 3.35 2 7.9 0.2
254 2 0 6 39.286 78.572 0.411 3.35 2 46.5 8.0
255 2 -6 2 39.349 78.699 0.412 3.34 2 49.7 9.2
256 -4 -2 3 39.457 78.914 0.413 3.33 2 55.3 11.3
257 1 -1 7 39.559 79.119 0.413 3.31 2 32.9 4.0
258 -2 2 7 39.584 79.169 0.414 3.31 2 26.7 2.6
259 2 6 2 39.654 79.308 0.414 3.3 2 61.2 13.7
260 -4 0 4 39.66 79.32 0.414 3.3 2 35.8 4.7
261 -1 3 7 39.705 79.41 0.415 3.29 2 38.0 5.3
262 -1 7 2 39.712 79.423 0.415 3.29 2 0.9 0.0
263 -4 2 3 39.72 79.439 0.415 3.29 2 23.5 2.0
264 -3 -5 3 39.724 79.448 0.415 3.29 2 3.7 0.1
265 1 1 7 39.784 79.569 0.415 3.28 2 9.2 0.3
266 3 -5 1 39.96 79.919 0.417 3.26 2 9.3 0.3
267 3 5 1 40.008 80.015 0.417 3.25 2 26.3 2.5
268 1 5 5 40.015 80.031 0.417 3.25 2 7.2 0.2
269 -2 4 6 40.138 80.276 0.418 3.24 2 62.8 14.2
270 1 -7 2 40.322 80.645 0.42 3.22 2 29.4 3.1
271 -3 5 3 40.339 80.679 0.42 3.21 2 50.0 8.9
272 4 -2 1 40.613 81.226 0.423 3.18 2 41.7 6.1
273 4 2 1 40.616 81.233 0.423 3.18 2 25.0 2.2
274 -1 -5 6 40.647 81.294 0.423 3.18 2 13.6 0.7
275 1 7 2 40.731 81.461 0.424 3.17 2 42.7 6.4
276 -2 -6 4 40.742 81.483 0.424 3.17 2 33.1 3.9
277 2 -4 5 40.818 81.636 0.424 3.16 2 10.2 0.4
278 2 -2 6 40.82 81.641 0.424 3.16 2 39.7 5.5
279 -1 -7 3 40.852 81.704 0.425 3.15 2 3.2 0.0
280 0 -6 5 41.159 82.319 0.427 3.12 2 40.3 5.6
281 2 2 6 41.185 82.37 0.427 3.12 2 42.3 6.2
282 4 0 2 41.197 82.394 0.428 3.12 2 5.2 0.1
283 -4 -2 4 41.211 82.421 0.428 3.12 2 14.6 0.7
284 2 4 5 41.415 82.83 0.429 3.09 2 2.2 0.0
285 -3 -3 6 41.452 82.903 0.43 3.09 2 38.7 5.1
286 3 -3 4 41.5 83.0 0.43 3.09 2 48.2 7.9
287 -4 2 4 41.536 83.073 0.43 3.08 2 48.2 8.0
288 -1 7 3 41.599 83.198 0.431 3.08 2 40.1 5.5
289 -2 6 4 41.627 83.253 0.431 3.07 2 17.9 1.1
290 -1 -1 8 41.636 83.271 0.431 3.07 2 39.8 5.4
291 -1 5 6 41.675 83.351 0.432 3.07 2 7.9 0.2
292 -3 -5 4 41.692 83.385 0.432 3.07 2 21.2 1.5
293 3 3 4 41.825 83.65 0.433 3.05 2 33.5 3.8
294 2 -6 3 41.827 83.653 0.433 3.05 2 34.9 4.1
295 3 -5 2 41.901 83.803 0.434 3.05 2 47.7 7.7
296 -1 1 8 41.907 83.813 0.434 3.05 2 28.6 2.8
297 3 5 2 42.113 84.227 0.435 3.03 2 17.6 1.0
298 -3 3 6 42.114 84.227 0.435 3.03 2 51.2 8.8
299 0 6 5 42.146 84.293 0.436 3.02 2 37.3 4.7
300 0 0 8 42.148 84.296 0.436 3.02 2 28.0 2.6
301 -4 0 5 42.256 84.512 0.436 3.02 2 35.5 4.2
302 2 6 3 42.324 84.649 0.437 3.01 2 26.7 2.4
303 0 -4 7 42.414 84.828 0.438 3.0 2 20.8 1.4
304 -3 5 4 42.466 84.932 0.438 3.0 2 5.8 0.1
305 1 -7 3 42.506 85.012 0.439 2.99 2 43.1 6.2
306 3 -1 5 42.635 85.271 0.44 2.98 2 50.1 8.3
307 -3 -1 7 42.723 85.446 0.44 2.98 2 2.8 0.0
308 1 -3 7 42.753 85.507 0.441 2.97 2 2.1 0.0
309 3 1 5 42.776 85.552 0.441 2.97 2 5.6 0.1
310 4 -2 2 42.864 85.728 0.442 2.96 2 3.2 0.0
311 4 2 2 42.933 85.866 0.442 2.96 2 36.8 4.4
312 -3 1 7 42.976 85.951 0.442 2.96 2 27.6 2.5
313 1 7 3 43.14 86.28 0.444 2.94 2 15.6 0.8
314 -2 0 8 43.196 86.393 0.444 2.94 2 9.0 0.3
315 -1 -7 4 43.308 86.616 0.445 2.93 2 33.5 3.6
316 0 4 7 43.331 86.663 0.445 2.93 2 22.5 1.6
317 1 3 7 43.418 86.836 0.446 2.92 2 6.0 0.1
318 0 8 0 43.428 86.855 0.446 2.92 2 20.1 1.3
319 -4 -4 1 43.462 86.925 0.447 2.92 2 18.0 1.1
320 -4 -4 2 43.547 87.095 0.447 2.91 2 24.0 1.9
321 0 -2 8 43.583 87.166 0.448 2.91 2 37.9 4.6
322 0 -8 1 43.7 87.401 0.448 2.9 2 26.0 2.2
323 -4 4 1 43.717 87.434 0.449 2.9 2 36.7 4.3
324 -2 -6 5 43.757 87.515 0.449 2.9 2 73.2 17.2
325 -4 -2 5 43.758 87.515 0.449 2.9 2 26.1 2.2
326 1 -5 6 43.88 87.759 0.45 2.89 2 4.1 0.1
327 -4 4 2 43.933 87.866 0.45 2.89 2 24.9 2.0
328 -2 -4 7 43.961 87.921 0.451 2.89 2 50.6 8.2
329 0 8 1 43.962 87.924 0.451 2.89 2 8.7 0.2
330 0 2 8 44.106 88.213 0.452 2.88 2 9.7 0.3
331 -4 2 5 44.147 88.293 0.452 2.88 2 7.7 0.2
332 4 4 0 44.184 88.369 0.452 2.87 2 6.2 0.1
333 -1 7 4 44.278 88.557 0.453 2.87 2 18.0 1.0
334 4 0 3 44.283 88.565 0.453 2.87 2 76.9 18.8
335 -4 4 0 44.308 88.616 0.453 2.87 2 6.1 0.1
336 -4 -4 3 44.439 88.878 0.454 2.86 2 20.9 1.4
337 -3 -5 5 44.452 88.904 0.455 2.86 2 23.3 1.7
338 -2 -2 8 44.613 89.226 0.456 2.85 2 34.7 3.8
339 3 -5 3 44.636 89.272 0.456 2.85 2 19.9 1.2
340 -1 -3 8 44.759 89.518 0.457 2.84 2 19.1 1.1
341 0 -8 2 44.78 89.559 0.457 2.84 2 15.4 0.8
342 1 5 6 44.822 89.643 0.458 2.84 2 9.7 0.3
343 -2 6 5 44.831 89.662 0.458 2.84 2 76.5 18.4
344 -2 4 7 44.938 89.875 0.458 2.83 2 16.2 0.8
345 -4 4 3 44.955 89.91 0.459 2.83 2 9.6 0.3
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 0 0 1 4.812 9.623 9.18299 448.3 61.7 62.1 5.6
2 0 0 2 9.658 19.315 4.5915 204.7 28.2 28.2 5.6
3 -1 1 0 10.057 20.114 4.41095 726.6 100.0 100.0 5.6
4 -1 -1 1 10.384 20.769 4.2734 475.2 65.4 65.4 5.6
5 -1 1 1 10.498 20.995 4.22776 139.2 19.2 19.1 5.6
6 0 -2 1 10.938 21.875 4.05965 572.3 78.8 78.7 5.6
7 0 2 1 11.112 22.223 3.99683 10.6 1.5 1.5 5.6
8 1 -1 1 11.807 23.614 3.76453 60.3 8.3 8.3 5.6
9 1 1 1 11.869 23.738 3.74511 21.2 2.9 2.9 5.6
10 -1 -1 2 12.748 25.496 3.49077 108.5 14.9 14.9 5.6
11 -1 1 2 12.917 25.833 3.44592 66.4 9.1 9.1 5.6
12 0 2 2 14.036 28.072 3.17603 232.0 31.9 31.7 5.6
13 0 0 3 14.575 29.15 3.061 522.4 71.9 71.4 5.6
14 1 1 2 15.152 30.303 2.94702 182.6 25.1 24.9 5.6
15 -1 -1 3 16.32 32.641 2.74113 37.1 5.1 5.1 5.6
16 -1 1 3 16.515 33.031 2.70964 50.3 6.9 6.8 5.6
17 1 3 0 17.387 34.774 2.57769 30.3 4.2 4.1 5.7
18 -2 0 1 17.455 34.909 2.56804 124.9 17.2 17.0 5.7
19 -1 -3 1 17.543 35.086 2.55548 138.6 19.1 18.8 5.7
20 0 -2 3 17.572 35.145 2.55136 21.3 2.9 2.9 5.7
21 2 0 0 17.674 35.348 2.53712 117.0 16.1 15.9 5.7
22 -1 3 1 17.753 35.506 2.52623 134.5 18.5 18.3 5.7
23 1 -3 1 18.483 36.966 2.42973 157.5 21.7 21.4 5.7
24 1 3 1 18.607 37.214 2.4141 347.4 47.8 47.1 5.7
25 1 -1 3 19.077 38.155 2.35671 38.3 5.3 5.2 5.7
26 2 0 1 19.228 38.455 2.33897 19.4 2.7 2.6 5.7
27 0 0 4 19.604 39.209 2.29575 19.8 2.7 2.7 5.7
28 2 2 0 20.395 40.789 2.21037 8.0 1.1 1.1 5.7
29 1 -3 2 20.737 41.475 2.1754 44.1 6.1 6.0 5.7
30 -2 0 3 20.944 41.888 2.15491 40.9 5.6 5.5 5.7
31 1 3 2 20.997 41.994 2.14969 68.6 9.4 9.3 5.7
32 -2 2 2 21.37 42.74 2.11388 11.9 1.6 1.6 5.7
33 -1 -3 3 21.656 43.313 2.08725 95.8 13.2 12.9 5.7
34 2 -2 1 21.781 43.563 2.07586 7.6 1.0 1.0 5.7
35 2 2 1 21.831 43.662 2.07135 12.4 1.7 1.7 5.7
36 2 0 2 21.874 43.748 2.0675 78.3 10.8 10.6 5.7
37 0 -2 4 21.959 43.918 2.0599 19.0 2.6 2.6 5.7
38 -1 3 3 22.115 44.23 2.04606 74.5 10.3 10.0 5.7
39 0 2 4 22.333 44.666 2.0271 13.1 1.8 1.8 5.7
40 0 4 2 22.671 45.343 1.99841 32.5 4.5 4.4 5.7
41 -2 -2 3 23.211 46.422 1.95445 15.8 2.2 2.1 5.7
42 1 -3 3 23.914 47.828 1.9002 26.1 3.6 3.5 5.7
43 -2 0 4 24.181 48.361 1.88051 28.3 3.9 3.8 5.7
44 2 2 2 24.29 48.58 1.87255 20.8 2.9 2.8 5.7
45 0 0 5 24.797 49.594 1.8366 61.4 8.4 8.2 5.7
46 0 -4 3 24.958 49.916 1.82551 36.4 5.0 4.9 5.7
47 -1 -3 4 25.102 50.203 1.81574 13.7 1.9 1.8 5.7
48 -1 -1 5 25.233 50.466 1.80691 15.1 2.1 2.0 5.8
49 -2 -2 4 26.188 52.377 1.74538 18.8 2.6 2.5 5.8
50 -2 2 4 26.556 53.111 1.72296 12.7 1.7 1.7 5.8
51 -2 -4 1 27.023 54.046 1.69536 20.9 2.9 2.8 5.8
52 1 5 0 27.085 54.169 1.69178 21.9 3.0 2.9 5.8
53 -1 -5 1 27.155 54.309 1.68776 21.0 2.9 2.8 5.8
54 -2 4 1 27.26 54.52 1.68172 15.0 2.1 2.0 5.8
55 -2 4 0 27.335 54.67 1.67746 33.9 4.7 4.5 5.8
56 2 -2 3 27.368 54.735 1.67562 26.3 3.6 3.5 5.8
57 3 1 0 27.595 55.191 1.66287 41.4 5.7 5.5 5.8
58 -3 1 2 27.692 55.385 1.6575 40.3 5.5 5.4 5.8
59 1 -3 4 27.788 55.576 1.65226 61.6 8.5 8.2 5.8
60 1 -5 1 27.848 55.696 1.64896 20.6 2.8 2.7 5.8
61 -2 0 5 28.101 56.202 1.63533 54.0 7.4 7.2 5.8
62 -1 -5 2 28.203 56.407 1.62986 16.0 2.2 2.1 5.8
63 1 3 4 28.233 56.465 1.62831 62.6 8.6 8.3 5.8
64 2 -4 1 28.385 56.77 1.62031 13.2 1.8 1.8 5.8
65 1 1 5 28.712 57.424 1.60338 13.1 1.8 1.7 5.8
66 -3 -1 3 29.028 58.056 1.58743 35.9 4.9 4.8 5.8
67 1 -5 2 29.502 59.004 1.56415 13.7 1.9 1.8 5.8
68 -2 4 3 29.992 59.984 1.54094 22.3 3.1 2.9 5.8
69 0 0 6 30.218 60.435 1.5305 10.8 1.5 1.4 5.8
70 -2 2 5 30.298 60.597 1.52681 25.6 3.5 3.4 5.8
71 2 4 2 30.572 61.143 1.51447 10.7 1.5 1.4 5.8
72 -1 5 3 30.769 61.539 1.50568 8.1 1.1 1.1 5.8
73 0 6 0 31.036 62.072 1.49401 153.8 21.2 20.3 5.8
74 -3 3 1 31.209 62.417 1.48658 72.7 10.0 9.6 5.8
75 2 -2 4 31.258 62.516 1.48448 10.9 1.5 1.4 5.8
76 3 1 2 31.372 62.744 1.47962 9.8 1.4 1.3 5.9
77 2 2 4 31.517 63.034 1.47351 42.8 5.9 5.6 5.9
78 0 6 1 31.6 63.201 1.47002 23.6 3.2 3.1 5.9
79 -2 -4 4 32.001 64.001 1.45356 11.8 1.6 1.6 5.9
80 1 -3 5 32.23 64.46 1.44431 13.3 1.8 1.7 5.9
81 1 5 3 32.505 65.01 1.43342 15.1 2.1 2.0 5.9
82 -2 0 6 32.584 65.168 1.43033 9.7 1.3 1.3 5.9
83 1 3 5 32.745 65.491 1.42405 16.2 2.2 2.1 5.9
84 -1 -5 4 32.941 65.882 1.41654 8.0 1.1 1.0 5.9
85 0 4 5 33.195 66.39 1.40692 32.1 4.4 4.2 5.9
86 -1 -3 6 33.817 67.633 1.38406 106.6 14.7 13.9 5.9
87 2 0 5 34.098 68.197 1.37399 75.4 10.4 9.8 5.9
88 -2 -2 6 34.195 68.391 1.37057 13.7 1.9 1.8 5.9
89 3 -1 3 34.391 68.782 1.36372 9.7 1.3 1.3 5.9
90 -1 3 6 34.475 68.95 1.36081 77.1 10.6 10.0 5.9
91 0 -6 3 34.696 69.392 1.35322 19.3 2.7 2.5 5.9
92 -3 -3 4 34.875 69.75 1.34714 20.0 2.8 2.6 5.9
93 3 -3 2 34.977 69.955 1.3437 10.6 1.5 1.4 5.9
94 -3 3 4 35.366 70.732 1.33084 14.7 2.0 1.9 5.9
95 0 0 7 35.956 71.913 1.31186 19.0 2.6 2.5 5.9
96 -2 -6 1 36.467 72.935 1.29597 14.9 2.0 1.9 6.0
97 2 6 0 36.702 73.404 1.28885 18.4 2.5 2.4 6.0
98 -2 6 0 36.799 73.597 1.28593 20.0 2.8 2.6 6.0
99 -4 0 2 36.863 73.725 1.28402 12.4 1.7 1.6 6.0
100 -2 -6 2 37.074 74.148 1.27774 28.1 3.9 3.6 6.0
101 0 -4 6 37.144 74.288 1.27568 15.4 2.1 2.0 6.0
102 1 -3 6 37.203 74.406 1.27394 7.5 1.0 1.0 6.0
103 4 0 0 37.388 74.776 1.26856 44.3 6.1 5.7 6.0
104 -2 6 2 37.577 75.154 1.26311 47.4 6.5 6.1 6.0
105 2 -6 1 37.665 75.33 1.2606 8.1 1.1 1.0 6.0
106 1 3 6 37.788 75.576 1.2571 16.0 2.2 2.1 6.0
107 -4 0 3 37.854 75.709 1.25523 21.0 2.9 2.7 6.0
108 -1 -7 1 38.34 76.68 1.24174 29.9 4.1 3.8 6.0
109 -4 -2 1 38.391 76.783 1.24033 36.2 5.0 4.6 6.0
110 -3 -5 2 38.56 77.12 1.23574 17.6 2.4 2.3 6.0
111 3 5 0 38.703 77.406 1.23189 10.2 1.4 1.3 6.0
112 -4 2 0 39.16 78.32 1.21978 10.1 1.4 1.3 6.0
113 2 0 6 39.286 78.572 1.21651 8.0 1.1 1.0 6.0
114 2 -6 2 39.349 78.699 1.21486 9.2 1.3 1.2 6.0
115 -4 -2 3 39.457 78.914 1.21209 11.3 1.5 1.4 6.0
116 2 6 2 39.654 79.308 1.20705 18.4 2.5 2.3 6.0
117 -1 3 7 39.705 79.41 1.20576 7.3 1.0 0.9 6.0
118 -2 4 6 40.138 80.276 1.19492 14.2 1.9 1.8 6.0
119 -3 5 3 40.339 80.679 1.18996 12.0 1.6 1.5 6.1
120 4 -2 1 40.613 81.226 1.18333 8.3 1.1 1.1 6.1
121 1 7 2 40.731 81.461 1.1805 10.2 1.4 1.3 6.1
122 2 2 6 41.185 82.37 1.16976 11.8 1.6 1.5 6.1
123 3 -3 4 41.5 83.0 1.16247 7.9 1.1 1.0 6.1
124 -4 2 4 41.536 83.073 1.16164 8.0 1.1 1.0 6.1
125 2 -6 3 41.827 83.653 1.15505 7.9 1.1 1.0 6.1
126 3 -5 2 41.901 83.803 1.15337 10.4 1.4 1.3 6.1
127 -3 3 6 42.114 84.227 1.14864 9.8 1.4 1.2 6.1
128 0 6 5 42.146 84.293 1.14791 7.3 1.0 0.9 6.1
129 3 -1 5 42.635 85.271 1.13723 8.3 1.1 1.0 6.1
130 -2 -6 5 43.757 87.515 1.11375 19.4 2.7 2.4 6.2
131 -2 -4 7 43.961 87.921 1.10965 10.4 1.4 1.3 6.2
132 4 0 3 44.283 88.565 1.10324 19.9 2.7 2.5 6.2
133 -2 6 5 44.831 89.662 1.09257 18.4 2.5 2.3 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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