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 ***
***********************
TISINALITE
1, f-kazakovite, DN
Na(1.98)(Mn,Ca)(0.62)(Ti,Nb,Zr,Fe)(0.95)[Si(6)O(8)(O,OH)(10)]
Hexagonal P 3(-) Z = 3
R =0.093 NR =951
27 .11 .1903
Ref.Str.:
N.A. Yamnova, Yu.K. Egorov-Tismenko et al. (2003)
* Kristllogr., 48, 602-607
Reserv:
from Lovozero massif, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.036 alpha = 90.0
b = 10.036 beta = 90.0
c = 12.876 gamma = 120.0
Unit cell volume (cub. angs.) = 1123.14
Molar volume ( cub.cm/mol.) = 225.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.5 2.05 Na = 0.68, Na = 0.0
2 0.3352 0.1681 0.1647 4.73 Na = 0.7 , Na = 0.0
3 0.3333 0.6667 0.9174 7.3 Mn = 0.23, Ca = 0.08
4 0.3333 0.6667 0.4228 2.9 Mn = 0.17, Ca = 0.09
5 0.0 0.0 0.757 4.7 Mn = 0.23, Ca = 0.02
6 0.0 0.0 0.0 3.5 Ti = 0.64, Fe = 0.36
7 0.3333 0.6667 0.6667 1.89 Ti = 0.38, Zr = 0.21, Nb = 0.2
8 0.6385 0.8193 0.1032 3.14 Si = 1.00
9 0.8487 0.6975 0.4349 2.96 Si = 1.00
10 0.9701 0.4849 0.7679 2.81 Si = 1.00
11 0.9118 0.8194 0.9092 6.6 O = 1.00
12 0.5138 0.7612 0.5758 5.4 O = 1.00
13 0.5681 0.1517 0.244 6.5 O = 1.00
14 0.8967 0.7853 0.3252 7.7 OH = 1.00
15 0.8858 0.4408 0.6573 7.3 OH = 1.00
16 0.5509 0.7757 0.9931 6.4 OH = 1.00
17 0.7391 0.7398 0.5004 7.6 O = 1.00
18 0.9254 0.3356 0.8344 8.2 O = 1.00
19 0.5874 0.6641 0.1672 8.2 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.5
2 2 0.3352 0.1681 0.1647
3 3 0.3333 0.6667 0.9174
4 4 0.3333 0.6667 0.4228
5 5 0.0 0.0 0.757
6 6 0.0 0.0 0.0
7 7 0.3333 0.6667 0.6667
8 8 0.6385 0.8193 0.1032
9 9 0.8487 0.6975 0.4349
10 10 0.9701 0.4849 0.7679
11 11 0.9118 0.8194 0.9092
12 12 0.5138 0.7612 0.5758
13 13 0.5681 0.1517 0.244
14 14 0.8967 0.7853 0.3252
15 15 0.8858 0.4408 0.6573
16 16 0.5509 0.7757 0.9931
17 17 0.7391 0.7398 0.5004
18 18 0.9254 0.3356 0.8344
19 19 0.5874 0.6641 0.1672
20 1 0.0 0.5 0.5
21 1 0.5 0.5 0.5
22 2 0.8319 0.1671 0.1647
23 2 0.8329 0.6648 0.1647
24 8 0.1807 0.8192 0.1032
25 8 0.1808 0.3615 0.1032
26 9 0.3025 0.1512 0.4349
27 9 0.8488 0.1513 0.4349
28 10 0.5151 0.4852 0.7679
29 10 0.5148 0.0299 0.7679
30 11 0.1806 0.0924 0.9092
31 11 0.9076 0.0882 0.9092
32 12 0.2388 0.7526 0.5758
33 12 0.2474 0.4862 0.5758
34 13 0.8483 0.4164 0.244
35 13 0.5836 0.4319 0.244
36 14 0.2147 0.1114 0.3252
37 14 0.8886 0.1033 0.3252
38 15 0.5592 0.445 0.6573
39 15 0.555 0.1142 0.6573
40 16 0.2243 0.7752 0.9931
41 16 0.2248 0.4491 0.9931
42 17 0.2602 0.9993 0.5004
43 17 0.0007 0.2609 0.5004
44 18 0.6644 0.5898 0.8344
45 18 0.4102 0.0746 0.8344
46 19 0.3359 0.9233 0.1672
47 19 0.0767 0.4126 0.1672
48 2 0.6648 0.8319 0.8353
49 3 0.6667 0.3333 0.0826
50 4 0.6667 0.3333 0.5772
51 5 0.0 0.0 0.243
52 7 0.6667 0.3333 0.3333
53 8 0.3615 0.1807 0.8968
54 9 0.1513 0.3025 0.5651
55 10 0.0299 0.5151 0.2321
56 11 0.0882 0.1806 0.0908
57 12 0.4862 0.2388 0.4242
58 13 0.4319 0.8483 0.756
59 14 0.1033 0.2147 0.6748
60 15 0.1142 0.5592 0.3427
61 16 0.4491 0.2243 0.0069
62 17 0.2609 0.2602 0.4996
63 18 0.0746 0.6644 0.1656
64 19 0.4126 0.3359 0.8328
65 2 0.1681 0.8329 0.8353
66 2 0.1671 0.3352 0.8353
67 8 0.8193 0.1808 0.8968
68 8 0.8192 0.6385 0.8968
69 9 0.6975 0.8488 0.5651
70 9 0.1512 0.8487 0.5651
71 10 0.4849 0.5148 0.2321
72 10 0.4852 0.9701 0.2321
73 11 0.8194 0.9076 0.0908
74 11 0.0924 0.9118 0.0908
75 12 0.7612 0.2474 0.4242
76 12 0.7526 0.5138 0.4242
77 13 0.1517 0.5836 0.756
78 13 0.4164 0.5681 0.756
79 14 0.7853 0.8886 0.6748
80 14 0.1114 0.8967 0.6748
81 15 0.4408 0.555 0.3427
82 15 0.445 0.8858 0.3427
83 16 0.7757 0.2248 0.0069
84 16 0.7752 0.5509 0.0069
85 17 0.7398 0.0007 0.4996
86 17 0.9993 0.7391 0.4996
87 18 0.3356 0.4102 0.1656
88 18 0.5898 0.9254 0.1656
89 19 0.6641 0.0767 0.8328
90 19 0.9233 0.5874 0.8328
X-ray density (g/cm cub.) = 2.63
MU (1/cm) = 165.21 Mass attenuation coefficient (cm**2/g) = 62.861
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.856 8
2.6547 12
2.7351 12
2.2556 15
2.4031 17
2.6547 12
2.7351 12
2.2556 15
2.4031 17
2 Na ,Na 2.856 8
2.6302 13
2.7689 13
2.3171 14
2.4606 19
2.7161 11
2.2602 16
2.6818 11
2.4278 18
3 Mn ,Ca 2.928 6
2.1277 16
2.1268 16
2.1277 16
2.6108 13
2.6108 13
2.6112 13
4 Mn ,Ca 2.928 6
2.5187 12
2.5181 12
2.5187 12
2.1657 15
2.1664 15
2.1658 15
5 Mn ,Ca 2.928 6
2.5109 11
2.5109 11
2.5109 11
2.1457 14
2.1457 14
2.1456 14
6 Ti ,Fe 2.64 6
1.9573 11
1.9573 11
1.9573 11
1.9573 11
1.9573 11
1.9573 11
7 Ti ,Zr ,Nb 2.664 6
1.9578 12
1.957 12
1.9578 12
1.9543 13
1.9543 13
1.955 13
8 Si 2.148 4
1.6092 16
1.6029 19
1.5805 11
1.5934 18
9 Si 2.148 4
1.606 14
1.6026 17
1.6031 12
1.5879 17
10 Si 2.148 4
1.6016 15
1.5835 18
1.5878 13
1.5686 19
11 O 3.312 7
2.7189 11
2.7189 11
2.5848 18
2.8164 11
2.8163 11
2.6512 16
2.5828 19
12 O 3.312 7
2.5665 17
2.7177 12
2.7177 12
2.7462 13
2.8636 13
2.6833 14
2.5363 17
13 O 3.312 7
2.7376 13
2.7376 13
2.5142 19
2.7462 12
2.8636 12
2.6393 15
2.5921 18
14 OH 3.36 6
2.6603 17
3.2328 14
3.2328 14
3.324 18
2.6833 12
2.6067 17
15 OH 3.36 7
2.6253 18
3.299 15
3.299 15
3.2792 17
2.6393 13
3.3126 17
2.619 19
16 OH 3.36 7
2.6123 19
3.2752 16
3.2752 16
3.3286 18
2.6512 11
2.5993 18
3.3533 19
17 O 3.312 7
2.5665 12
2.6603 14
3.2792 15
2.5362 12
2.6068 14
2.615 17
2.6148 17
18 O 3.312 6
2.6253 15
2.5848 11
2.5922 13
2.5993 16
2.6105 19
2.5378 19
19 O 3.312 6
2.6123 16
2.5142 13
2.5829 11
2.619 15
2.5377 18
2.6106 18
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 0 1 3.983 7.967 0.039 411.46 2 0.6 0.0
2 1 0 0 5.907 11.814 0.058 185.87 6 2.8 0.7
3 1 0 -1 7.132 14.265 0.069 126.77 6 2.8 0.5
4 1 0 1 7.132 14.265 0.069 126.77 6 63.8 245.7
5 0 0 2 7.986 15.972 0.078 100.67 2 0.5 0.0
6 1 0 -2 9.956 19.913 0.097 63.99 6 134.7 551.8
7 1 0 2 9.956 19.913 0.097 63.99 6 2.6 0.2
8 1 1 0 10.268 20.536 0.1 60.03 6 2.4 0.2
9 1 1 -1 11.029 22.058 0.107 51.75 6 0.3 0.0
10 1 1 1 11.029 22.058 0.107 51.75 6 0.4 0.0
11 2 0 0 11.878 23.756 0.115 44.33 6 0.1 0.0
12 0 0 3 12.029 24.057 0.116 43.17 2 81.2 45.1
13 2 0 -1 12.547 25.093 0.121 39.51 6 49.6 46.3
14 2 0 1 12.547 25.093 0.121 39.51 6 4.2 0.3
15 1 1 -2 13.062 26.123 0.126 36.3 6 0.7 0.0
16 1 1 2 13.062 26.123 0.126 36.3 6 1.4 0.0
17 1 0 -3 13.44 26.88 0.13 34.17 6 4.0 0.3
18 1 0 3 13.44 26.88 0.13 34.17 6 0.7 0.0
19 2 0 -2 14.379 28.757 0.139 29.61 6 4.4 0.3
20 2 0 2 14.379 28.757 0.139 29.61 6 192.0 519.3
21 1 2 0 15.8 31.6 0.152 24.19 6 6.2 0.4
22 2 1 0 15.8 31.6 0.152 24.19 6 0.6 0.0
23 1 1 -3 15.916 31.833 0.153 23.81 6 124.4 175.3
24 1 1 3 15.916 31.833 0.153 23.81 6 126.3 180.5
25 0 0 4 16.133 32.266 0.155 23.12 2 2.6 0.0
26 1 2 -1 16.32 32.64 0.157 22.55 6 150.8 244.0
27 1 2 1 16.32 32.64 0.157 22.55 6 1.3 0.0
28 2 1 -1 16.32 32.64 0.157 22.55 6 6.0 0.4
29 2 1 1 16.32 32.64 0.157 22.55 6 153.3 252.2
30 2 0 -3 17.032 34.064 0.164 20.56 6 3.5 0.1
31 2 0 3 17.032 34.064 0.164 20.56 6 2.4 0.1
32 1 0 -4 17.236 34.473 0.166 20.03 6 6.1 0.3
33 1 0 4 17.236 34.473 0.166 20.03 6 4.7 0.2
34 1 2 -2 17.799 35.598 0.171 18.67 6 0.1 0.0
35 1 2 2 17.799 35.598 0.171 18.67 6 96.9 83.3
36 2 1 -2 17.799 35.598 0.171 18.67 6 98.1 85.5
37 2 1 2 17.799 35.598 0.171 18.67 6 5.0 0.2
38 3 0 0 17.983 35.966 0.173 18.26 6 40.0 13.9
39 3 0 -1 18.449 36.898 0.177 17.26 6 0.5 0.0
40 3 0 1 18.449 36.898 0.177 17.26 6 4.8 0.2
41 1 1 -4 19.277 38.553 0.185 15.67 6 3.3 0.1
42 1 1 4 19.277 38.553 0.185 15.67 6 0.8 0.0
43 3 0 -2 19.789 39.578 0.189 14.78 6 0.8 0.0
44 3 0 2 19.789 39.578 0.189 14.78 6 2.2 0.0
45 1 2 -3 20.053 40.105 0.192 14.35 6 0.6 0.0
46 1 2 3 20.053 40.105 0.192 14.35 6 5.9 0.2
47 2 1 -3 20.053 40.105 0.192 14.35 6 1.9 0.0
48 2 1 3 20.053 40.105 0.192 14.35 6 2.8 0.1
49 2 0 -4 20.23 40.461 0.193 14.07 6 216.2 312.8
50 2 0 4 20.23 40.461 0.193 14.07 6 2.4 0.0
51 0 0 5 20.324 40.649 0.194 13.93 2 3.2 0.0
52 2 2 0 20.885 41.771 0.199 13.11 6 205.2 262.6
53 1 0 -5 21.239 42.478 0.203 12.62 6 43.1 11.1
54 1 0 5 21.239 42.478 0.203 12.62 6 0.8 0.0
55 2 2 -1 21.297 42.594 0.203 12.55 6 1.4 0.0
56 2 2 1 21.297 42.594 0.203 12.55 6 5.8 0.2
57 1 3 0 21.781 43.562 0.207 11.93 6 0.1 0.0
58 3 1 0 21.781 43.562 0.207 11.93 6 9.1 0.5
59 3 0 -3 21.869 43.739 0.208 11.82 6 33.6 6.4
60 3 0 3 21.869 43.739 0.208 11.82 6 4.8 0.1
61 1 3 -1 22.179 44.358 0.211 11.45 6 4.2 0.1
62 1 3 1 22.179 44.358 0.211 11.45 6 9.4 0.5
63 3 1 -1 22.179 44.358 0.211 11.45 6 9.5 0.5
64 3 1 1 22.179 44.358 0.211 11.45 6 1.3 0.0
65 2 2 -2 22.496 44.992 0.214 11.09 6 0.3 0.0
66 2 2 2 22.496 44.992 0.214 11.09 6 3.3 0.1
67 1 2 -4 22.894 45.789 0.217 10.66 6 8.7 0.4
68 1 2 4 22.894 45.789 0.217 10.66 6 5.1 0.1
69 2 1 -4 22.894 45.789 0.217 10.66 6 2.4 0.0
70 2 1 4 22.894 45.789 0.217 10.66 6 8.8 0.4
71 1 1 -5 22.98 45.959 0.218 10.57 6 2.1 0.0
72 1 1 5 22.98 45.959 0.218 10.57 6 2.6 0.0
73 1 3 -2 23.342 46.684 0.221 10.2 6 2.7 0.0
74 1 3 2 23.342 46.684 0.221 10.2 6 5.1 0.1
75 3 1 -2 23.342 46.684 0.221 10.2 6 2.5 0.0
76 3 1 2 23.342 46.684 0.221 10.2 6 2.8 0.0
77 2 0 -5 23.812 47.624 0.226 9.75 6 4.8 0.1
78 2 0 5 23.812 47.624 0.226 9.75 6 78.6 28.6
79 4 0 0 24.309 48.617 0.23 9.31 6 1.5 0.0
80 2 2 -3 24.39 48.78 0.231 9.23 6 19.4 1.7
81 2 2 3 24.39 48.78 0.231 9.23 6 19.0 1.6
82 3 0 -4 24.542 49.085 0.232 9.1 6 2.6 0.0
83 3 0 4 24.542 49.085 0.232 9.1 6 0.4 0.0
84 0 0 6 24.633 49.266 0.233 9.03 2 14.4 0.3
85 4 0 -1 24.675 49.35 0.233 8.99 6 6.5 0.2
86 4 0 1 24.675 49.35 0.233 8.99 6 51.5 11.3
87 1 3 -3 25.187 50.374 0.238 8.58 6 1.6 0.0
88 1 3 3 25.187 50.374 0.238 8.58 6 4.0 0.1
89 3 1 -3 25.187 50.374 0.238 8.58 6 5.2 0.1
90 3 1 3 25.187 50.374 0.238 8.58 6 3.0 0.0
91 1 0 -6 25.424 50.849 0.24 8.4 6 3.1 0.0
92 1 0 6 25.424 50.849 0.24 8.4 6 2.9 0.0
93 4 0 -2 25.751 51.502 0.243 8.16 6 74.5 21.5
94 4 0 2 25.751 51.502 0.243 8.16 6 0.1 0.0
95 1 2 -5 26.189 52.379 0.247 7.85 6 1.5 0.0
96 1 2 5 26.189 52.379 0.247 7.85 6 78.4 23.0
97 2 1 -5 26.189 52.379 0.247 7.85 6 77.7 22.6
98 2 1 5 26.189 52.379 0.247 7.85 6 1.0 0.0
99 2 3 0 26.653 53.306 0.251 7.55 6 5.2 0.1
100 3 2 0 26.653 53.306 0.251 7.55 6 2.3 0.0
101 2 2 -4 26.872 53.744 0.253 7.41 6 5.0 0.1
102 2 2 4 26.872 53.744 0.253 7.41 6 1.0 0.0
103 1 1 -6 26.957 53.914 0.253 7.35 6 13.4 0.6
104 1 1 6 26.957 53.914 0.253 7.35 6 11.5 0.5
105 2 3 -1 26.996 53.993 0.254 7.33 6 5.1 0.1
106 2 3 1 26.996 53.993 0.254 7.33 6 1.8 0.0
107 3 2 -1 26.996 53.993 0.254 7.33 6 3.3 0.0
108 3 2 1 26.996 53.993 0.254 7.33 6 4.1 0.1
109 4 0 -3 27.477 54.955 0.258 7.04 6 3.1 0.0
110 4 0 3 27.477 54.955 0.258 7.04 6 5.7 0.1
111 1 3 -4 27.618 55.235 0.259 6.96 6 5.2 0.1
112 1 3 4 27.618 55.235 0.259 6.96 6 65.0 14.0
113 3 1 -4 27.618 55.235 0.259 6.96 6 63.7 13.4
114 3 1 4 27.618 55.235 0.259 6.96 6 8.4 0.2
115 3 0 -5 27.692 55.384 0.26 6.92 6 4.2 0.1
116 3 0 5 27.692 55.384 0.26 6.92 6 2.9 0.0
117 2 0 -6 27.701 55.402 0.26 6.91 6 0.7 0.0
118 2 0 6 27.701 55.402 0.26 6.91 6 2.8 0.0
119 2 3 -2 28.009 56.018 0.263 6.74 6 1.2 0.0
120 2 3 2 28.009 56.018 0.263 6.74 6 54.8 9.6
121 3 2 -2 28.009 56.018 0.263 6.74 6 54.6 9.6
122 3 2 2 28.009 56.018 0.263 6.74 6 2.1 0.0
123 1 4 0 28.139 56.277 0.264 6.67 6 13.9 0.6
124 4 1 0 28.139 56.277 0.264 6.67 6 13.0 0.5
125 1 4 -1 28.47 56.94 0.266 6.5 6 0.0 0.0
126 1 4 1 28.47 56.94 0.266 6.5 6 5.3 0.1
127 4 1 -1 28.47 56.94 0.266 6.5 6 1.6 0.0
128 4 1 1 28.47 56.94 0.266 6.5 6 1.1 0.0
129 0 0 7 29.096 58.192 0.272 6.18 2 2.2 0.0
130 1 4 -2 29.449 58.898 0.275 6.02 6 0.9 0.0
131 1 4 2 29.449 58.898 0.275 6.02 6 3.1 0.0
132 4 1 -2 29.449 58.898 0.275 6.02 6 7.4 0.2
133 4 1 2 29.449 58.898 0.275 6.02 6 3.8 0.0
134 2 3 -3 29.646 59.291 0.276 5.93 6 0.8 0.0
135 2 3 3 29.646 59.291 0.276 5.93 6 5.2 0.1
136 3 2 -3 29.646 59.291 0.276 5.93 6 2.9 0.0
137 3 2 3 29.646 59.291 0.276 5.93 6 5.8 0.1
138 4 0 -4 29.779 59.558 0.278 5.87 6 2.4 0.0
139 4 0 4 29.779 59.558 0.278 5.87 6 238.1 158.3
140 1 0 -7 29.804 59.609 0.278 5.86 6 3.9 0.0
141 1 0 7 29.804 59.609 0.278 5.86 6 54.6 8.3
142 2 2 -5 29.85 59.7 0.278 5.84 6 1.1 0.0
143 2 2 5 29.85 59.7 0.278 5.84 6 8.1 0.2
144 1 2 -6 29.858 59.717 0.278 5.83 6 2.2 0.0
145 1 2 6 29.858 59.717 0.278 5.83 6 1.7 0.0
146 2 1 -6 29.858 59.717 0.278 5.83 6 5.2 0.1
147 2 1 6 29.858 59.717 0.278 5.83 6 1.2 0.0
148 1 3 -5 30.548 61.096 0.284 5.55 6 32.4 2.8
149 1 3 5 30.548 61.096 0.284 5.55 6 4.6 0.1
150 3 1 -5 30.548 61.096 0.284 5.55 6 5.1 0.1
151 3 1 5 30.548 61.096 0.284 5.55 6 32.8 2.8
152 5 0 0 30.968 61.937 0.288 5.38 6 5.9 0.1
153 1 4 -3 31.038 62.075 0.288 5.35 6 10.7 0.3
154 1 4 3 31.038 62.075 0.288 5.35 6 113.5 32.8
155 4 1 -3 31.038 62.075 0.288 5.35 6 112.6 32.3
156 4 1 3 31.038 62.075 0.288 5.35 6 10.9 0.3
157 1 1 -7 31.192 62.385 0.29 5.29 6 3.9 0.0
158 1 1 7 31.192 62.385 0.29 5.29 6 1.8 0.0
159 3 0 -6 31.245 62.49 0.29 5.27 6 88.6 19.7
160 3 0 6 31.245 62.49 0.29 5.27 6 30.1 2.3
161 5 0 -1 31.281 62.562 0.29 5.26 6 119.5 35.8
162 5 0 1 31.281 62.562 0.29 5.26 6 1.4 0.0
163 2 3 -4 31.849 63.697 0.295 5.06 6 7.1 0.1
164 2 3 4 31.849 63.697 0.295 5.06 6 8.9 0.2
165 3 2 -4 31.849 63.697 0.295 5.06 6 5.8 0.1
166 3 2 4 31.849 63.697 0.295 5.06 6 8.5 0.2
167 2 0 -7 31.873 63.746 0.295 5.05 6 97.0 22.6
168 2 0 7 31.873 63.746 0.295 5.05 6 10.7 0.3
169 5 0 -2 32.208 64.416 0.298 4.94 6 5.9 0.1
170 5 0 2 32.208 64.416 0.298 4.94 6 45.5 4.9
171 3 3 0 32.327 64.654 0.299 4.9 6 86.5 17.4
172 4 0 -5 32.589 65.178 0.301 4.81 6 81.2 15.1
173 4 0 5 32.589 65.178 0.301 4.81 6 4.3 0.0
174 3 3 -1 32.632 65.264 0.301 4.8 6 4.1 0.0
175 3 3 1 32.632 65.264 0.301 4.8 6 5.0 0.1
176 2 4 0 32.995 65.99 0.304 4.69 6 0.0 0.0
177 4 2 0 32.995 65.99 0.304 4.69 6 5.1 0.1
178 1 4 -4 33.187 66.375 0.306 4.63 6 2.5 0.0
179 1 4 4 33.187 66.375 0.306 4.63 6 6.7 0.1
180 4 1 -4 33.187 66.375 0.306 4.63 6 4.2 0.0
181 4 1 4 33.187 66.375 0.306 4.63 6 0.4 0.0
182 2 2 -6 33.262 66.524 0.307 4.61 6 25.2 1.4
183 2 2 6 33.262 66.524 0.307 4.61 6 25.1 1.4
184 2 4 -1 33.297 66.594 0.307 4.6 6 4.6 0.0
185 2 4 1 33.297 66.594 0.307 4.6 6 35.0 2.7
186 4 2 -1 33.297 66.594 0.307 4.6 6 36.0 2.8
187 4 2 1 33.297 66.594 0.307 4.6 6 7.3 0.1
188 3 3 -2 33.539 67.078 0.309 4.53 6 1.4 0.0
189 3 3 2 33.539 67.078 0.309 4.53 6 0.0 0.0
190 5 0 -3 33.722 67.444 0.31 4.47 6 3.9 0.0
191 5 0 3 33.722 67.444 0.31 4.47 6 1.0 0.0
192 0 0 8 33.762 67.523 0.311 4.46 2 4.4 0.0
193 1 2 -7 33.87 67.74 0.312 4.43 6 93.6 18.5
194 1 2 7 33.87 67.74 0.312 4.43 6 1.4 0.0
195 2 1 -7 33.87 67.74 0.312 4.43 6 1.1 0.0
196 2 1 7 33.87 67.74 0.312 4.43 6 95.4 19.2
197 1 3 -6 33.92 67.841 0.312 4.42 6 6.9 0.1
198 1 3 6 33.92 67.841 0.312 4.42 6 3.3 0.0
199 3 1 -6 33.92 67.841 0.312 4.42 6 1.3 0.0
200 3 1 6 33.92 67.841 0.312 4.42 6 5.1 0.1
201 2 4 -2 34.195 68.389 0.314 4.35 6 50.1 5.2
202 2 4 2 34.195 68.389 0.314 4.35 6 4.3 0.0
203 4 2 -2 34.195 68.389 0.314 4.35 6 2.3 0.0
204 4 2 2 34.195 68.389 0.314 4.35 6 49.1 5.0
205 1 0 -8 34.415 68.83 0.316 4.29 6 3.0 0.0
206 1 0 8 34.415 68.83 0.316 4.29 6 2.3 0.0
207 2 3 -5 34.565 69.13 0.317 4.25 6 4.6 0.0
208 2 3 5 34.565 69.13 0.317 4.25 6 72.1 10.5
209 3 2 -5 34.565 69.13 0.317 4.25 6 73.4 10.9
210 3 2 5 34.565 69.13 0.317 4.25 6 0.2 0.0
211 1 5 0 34.959 69.919 0.32 4.15 6 2.8 0.0
212 5 1 0 34.959 69.919 0.32 4.15 6 7.0 0.1
213 3 3 -3 35.024 70.049 0.321 4.14 6 84.2 14.0
214 3 3 3 35.024 70.049 0.321 4.14 6 83.7 13.8
215 3 0 -7 35.17 70.34 0.322 4.1 6 6.4 0.1
216 3 0 7 35.17 70.34 0.322 4.1 6 5.0 0.0
217 1 5 -1 35.253 70.506 0.323 4.09 6 61.1 7.3
218 1 5 1 35.253 70.506 0.323 4.09 6 1.3 0.0
219 5 1 -1 35.253 70.506 0.323 4.09 6 1.3 0.0
220 5 1 1 35.253 70.506 0.323 4.09 6 61.7 7.4
221 2 4 -3 35.667 71.335 0.326 3.99 6 6.0 0.1
222 2 4 3 35.667 71.335 0.326 3.99 6 3.7 0.0
223 4 2 -3 35.667 71.335 0.326 3.99 6 8.8 0.1
224 4 2 3 35.667 71.335 0.326 3.99 6 2.7 0.0
225 1 1 -8 35.706 71.412 0.326 3.98 6 8.2 0.1
226 1 1 8 35.706 71.412 0.326 3.98 6 8.3 0.1
227 5 0 -4 35.789 71.577 0.327 3.96 6 13.0 0.3
228 5 0 4 35.789 71.577 0.327 3.96 6 5.7 0.1
229 1 4 -5 35.853 71.706 0.327 3.95 6 1.1 0.0
230 1 4 5 35.853 71.706 0.327 3.95 6 0.2 0.0
231 4 1 -5 35.853 71.706 0.327 3.95 6 2.1 0.0
232 4 1 5 35.853 71.706 0.327 3.95 6 1.8 0.0
233 4 0 -6 35.861 71.722 0.327 3.95 6 3.3 0.0
234 4 0 6 35.861 71.722 0.327 3.95 6 0.1 0.0
235 1 5 -2 36.128 72.257 0.33 3.89 6 9.1 0.2
236 1 5 2 36.128 72.257 0.33 3.89 6 2.5 0.0
237 5 1 -2 36.128 72.257 0.33 3.89 6 1.8 0.0
238 5 1 2 36.128 72.257 0.33 3.89 6 3.8 0.0
239 2 0 -8 36.344 72.688 0.331 3.85 6 0.2 0.0
240 2 0 8 36.344 72.688 0.331 3.85 6 128.8 30.4
241 3 3 -4 37.059 74.118 0.337 3.71 6 1.3 0.0
242 3 3 4 37.059 74.118 0.337 3.71 6 1.5 0.0
243 2 2 -7 37.082 74.163 0.337 3.7 6 5.1 0.0
244 2 2 7 37.082 74.163 0.337 3.7 6 1.0 0.0
245 1 5 -3 37.569 75.138 0.341 3.62 6 1.8 0.0
246 1 5 3 37.569 75.138 0.341 3.62 6 0.7 0.0
247 5 1 -3 37.569 75.138 0.341 3.62 6 0.6 0.0
248 5 1 3 37.569 75.138 0.341 3.62 6 7.8 0.1
249 2 4 -4 37.688 75.376 0.342 3.6 6 1.9 0.0
250 2 4 4 37.688 75.376 0.342 3.6 6 125.4 26.9
251 4 2 -4 37.688 75.376 0.342 3.6 6 125.9 27.1
252 4 2 4 37.688 75.376 0.342 3.6 6 0.6 0.0
253 1 3 -7 37.711 75.421 0.342 3.59 6 6.0 0.1
254 1 3 7 37.711 75.421 0.342 3.59 6 33.6 1.9
255 3 1 -7 37.711 75.421 0.342 3.59 6 33.7 1.9
256 3 1 7 37.711 75.421 0.342 3.59 6 5.0 0.0
257 2 3 -6 37.759 75.517 0.342 3.58 6 3.9 0.0
258 2 3 6 37.759 75.517 0.342 3.58 6 5.3 0.0
259 3 2 -6 37.759 75.517 0.342 3.58 6 8.7 0.1
260 3 2 6 37.759 75.517 0.342 3.58 6 7.1 0.1
261 6 0 0 38.132 76.264 0.345 3.52 6 108.2 19.6
262 1 2 -8 38.233 76.465 0.346 3.51 6 3.1 0.0
263 1 2 8 38.233 76.465 0.346 3.51 6 35.2 2.1
264 2 1 -8 38.233 76.465 0.346 3.51 6 36.6 2.2
265 2 1 8 38.233 76.465 0.346 3.51 6 1.7 0.0
266 5 0 -5 38.376 76.752 0.347 3.48 6 0.1 0.0
267 5 0 5 38.376 76.752 0.347 3.48 6 8.7 0.1
268 6 0 -1 38.416 76.833 0.347 3.48 6 6.0 0.1
269 6 0 1 38.416 76.833 0.347 3.48 6 6.6 0.1
270 0 0 9 38.697 77.394 0.349 3.43 2 106.4 6.2
271 3 4 0 38.755 77.51 0.35 3.43 6 4.0 0.0
272 4 3 0 38.755 77.51 0.35 3.43 6 5.5 0.0
273 1 4 -6 39.005 78.011 0.352 3.39 6 67.5 7.4
274 1 4 6 39.005 78.011 0.352 3.39 6 19.2 0.6
275 4 1 -6 39.005 78.011 0.352 3.39 6 18.3 0.5
276 4 1 6 39.005 78.011 0.352 3.39 6 66.5 7.1
277 3 4 -1 39.038 78.076 0.352 3.38 6 90.7 13.2
278 3 4 1 39.038 78.076 0.352 3.38 6 1.6 0.0
279 4 3 -1 39.038 78.076 0.352 3.38 6 2.8 0.0
280 4 3 1 39.038 78.076 0.352 3.38 6 90.6 13.2
281 6 0 -2 39.265 78.531 0.354 3.35 6 1.1 0.0
282 6 0 2 39.265 78.531 0.354 3.35 6 3.4 0.0
283 1 0 -9 39.318 78.635 0.354 3.34 6 0.8 0.0
284 1 0 9 39.318 78.635 0.354 3.34 6 2.3 0.0
285 3 0 -8 39.475 78.95 0.355 3.32 6 8.1 0.1
286 3 0 8 39.475 78.95 0.355 3.32 6 6.1 0.1
287 1 5 -4 39.555 79.11 0.356 3.31 6 2.0 0.0
288 1 5 4 39.555 79.11 0.356 3.31 6 6.3 0.1
289 5 1 -4 39.555 79.11 0.356 3.31 6 7.6 0.1
290 5 1 4 39.555 79.11 0.356 3.31 6 3.1 0.0
291 4 0 -7 39.577 79.154 0.356 3.31 6 8.3 0.1
292 4 0 7 39.577 79.154 0.356 3.31 6 36.1 2.1
293 3 3 -5 39.617 79.234 0.356 3.3 6 2.8 0.0
294 3 3 5 39.617 79.234 0.356 3.3 6 0.8 0.0
295 3 4 -2 39.883 79.767 0.358 3.27 6 8.6 0.1
296 3 4 2 39.883 79.767 0.358 3.27 6 41.3 2.7
297 4 3 -2 39.883 79.767 0.358 3.27 6 41.8 2.7
298 4 3 2 39.883 79.767 0.358 3.27 6 5.7 0.1
299 2 5 0 39.993 79.985 0.359 3.26 6 3.6 0.0
300 5 2 0 39.993 79.985 0.359 3.26 6 3.3 0.0
301 2 4 -5 40.233 80.467 0.361 3.23 6 38.9 2.3
302 2 4 5 40.233 80.467 0.361 3.23 6 8.4 0.1
303 4 2 -5 40.233 80.467 0.361 3.23 6 6.1 0.1
304 4 2 5 40.233 80.467 0.361 3.23 6 39.4 2.4
305 2 5 -1 40.273 80.547 0.361 3.22 6 5.8 0.1
306 2 5 1 40.273 80.547 0.361 3.22 6 2.8 0.0
307 5 2 -1 40.273 80.547 0.361 3.22 6 1.5 0.0
308 5 2 1 40.273 80.547 0.361 3.22 6 4.3 0.0
309 1 1 -9 40.551 81.101 0.363 3.19 6 27.0 1.1
310 1 1 9 40.551 81.101 0.363 3.19 6 28.0 1.2
311 6 0 -3 40.67 81.339 0.364 3.17 6 26.5 1.1
312 6 0 3 40.67 81.339 0.364 3.17 6 11.6 0.2
313 2 5 -2 41.112 82.224 0.368 3.13 6 2.7 0.0
314 2 5 2 41.112 82.224 0.368 3.13 6 0.8 0.0
315 5 2 -2 41.112 82.224 0.368 3.13 6 4.2 0.0
316 5 2 2 41.112 82.224 0.368 3.13 6 6.6 0.1
317 2 0 -9 41.164 82.328 0.368 3.12 6 4.1 0.0
318 2 0 9 41.164 82.328 0.368 3.12 6 8.2 0.1
319 3 4 -3 41.283 82.565 0.369 3.11 6 3.8 0.0
320 3 4 3 41.283 82.565 0.369 3.11 6 4.5 0.0
321 4 3 -3 41.283 82.565 0.369 3.11 6 3.0 0.0
322 4 3 3 41.283 82.565 0.369 3.11 6 6.7 0.1
323 2 2 -8 41.319 82.639 0.369 3.1 6 2.1 0.0
324 2 2 8 41.319 82.639 0.369 3.1 6 1.2 0.0
325 2 3 -7 41.421 82.841 0.37 3.09 6 99.8 14.7
326 2 3 7 41.421 82.841 0.37 3.09 6 4.4 0.0
327 3 2 -7 41.421 82.841 0.37 3.09 6 2.4 0.0
328 3 2 7 41.421 82.841 0.37 3.09 6 99.4 14.5
329 5 0 -6 41.467 82.935 0.37 3.09 6 0.8 0.0
330 5 0 6 41.467 82.935 0.37 3.09 6 1.9 0.0
331 1 3 -8 41.93 83.861 0.374 3.04 6 33.7 1.6
332 1 3 8 41.93 83.861 0.374 3.04 6 2.4 0.0
333 3 1 -8 41.93 83.861 0.374 3.04 6 3.4 0.0
334 3 1 8 41.93 83.861 0.374 3.04 6 33.3 1.6
335 1 5 -5 42.071 84.142 0.375 3.03 6 5.3 0.0
336 1 5 5 42.071 84.142 0.375 3.03 6 22.6 0.7
337 5 1 -5 42.071 84.142 0.375 3.03 6 21.9 0.7
338 5 1 5 42.071 84.142 0.375 3.03 6 1.9 0.0
339 1 6 0 42.442 84.884 0.377 3.0 6 3.2 0.0
340 6 1 0 42.442 84.884 0.377 3.0 6 1.3 0.0
341 2 5 -3 42.503 85.007 0.378 2.99 6 109.8 17.2
342 2 5 3 42.503 85.007 0.378 2.99 6 2.5 0.0
343 5 2 -3 42.503 85.007 0.378 2.99 6 3.4 0.0
344 5 2 3 42.503 85.007 0.378 2.99 6 109.4 17.0
345 6 0 -4 42.619 85.238 0.379 2.98 6 1.9 0.0
346 6 0 4 42.619 85.238 0.379 2.98 6 0.5 0.0
347 1 4 -7 42.641 85.282 0.379 2.98 6 2.7 0.0
348 1 4 7 42.641 85.282 0.379 2.98 6 1.7 0.0
349 4 1 -7 42.641 85.282 0.379 2.98 6 3.8 0.0
350 4 1 7 42.641 85.282 0.379 2.98 6 2.8 0.0
351 3 3 -6 42.688 85.375 0.379 2.98 6 21.5 0.7
352 3 3 6 42.688 85.375 0.379 2.98 6 22.1 0.7
353 1 6 -1 42.72 85.439 0.379 2.98 6 1.2 0.0
354 1 6 1 42.72 85.439 0.379 2.98 6 6.8 0.1
355 6 1 -1 42.72 85.439 0.379 2.98 6 7.8 0.1
356 6 1 1 42.72 85.439 0.379 2.98 6 2.6 0.0
357 1 2 -9 42.994 85.988 0.381 2.95 6 0.2 0.0
358 1 2 9 42.994 85.988 0.381 2.95 6 3.1 0.0
359 2 1 -9 42.994 85.988 0.381 2.95 6 2.2 0.0
360 2 1 9 42.994 85.988 0.381 2.95 6 1.0 0.0
361 3 4 -4 43.227 86.455 0.383 2.94 6 19.0 0.5
362 3 4 4 43.227 86.455 0.383 2.94 6 3.5 0.0
363 4 3 -4 43.227 86.455 0.383 2.94 6 4.3 0.0
364 4 3 4 43.227 86.455 0.383 2.94 6 18.6 0.5
365 2 4 -6 43.296 86.592 0.383 2.93 6 2.1 0.0
366 2 4 6 43.296 86.592 0.383 2.93 6 2.3 0.0
367 4 2 -6 43.296 86.592 0.383 2.93 6 2.0 0.0
368 4 2 6 43.296 86.592 0.383 2.93 6 2.4 0.0
369 1 6 -2 43.551 87.102 0.385 2.91 6 51.0 3.6
370 1 6 2 43.551 87.102 0.385 2.91 6 2.1 0.0
371 6 1 -2 43.551 87.102 0.385 2.91 6 2.6 0.0
372 6 1 2 43.551 87.102 0.385 2.91 6 51.1 3.6
373 4 0 -8 43.756 87.513 0.387 2.9 6 114.8 18.2
374 4 0 8 43.756 87.513 0.387 2.9 6 0.8 0.0
375 0 0 10 44.001 88.002 0.388 2.88 2 4.2 0.0
376 3 0 -9 44.209 88.419 0.39 2.87 6 0.6 0.0
377 3 0 9 44.209 88.419 0.39 2.87 6 14.8 0.3
378 2 5 -4 44.442 88.884 0.391 2.86 6 7.4 0.1
379 2 5 4 44.442 88.884 0.391 2.86 6 4.8 0.0
380 5 2 -4 44.442 88.884 0.391 2.86 6 0.1 0.0
381 5 2 4 44.442 88.884 0.391 2.86 6 4.8 0.0
382 1 0 -10 44.608 89.216 0.393 2.85 6 2.3 0.0
383 1 0 10 44.608 89.216 0.393 2.85 6 33.4 1.5
384 1 6 -3 44.934 89.868 0.395 2.83 6 2.9 0.0
385 1 6 3 44.934 89.868 0.395 2.83 6 1.0 0.0
386 6 1 -3 44.934 89.868 0.395 2.83 6 5.2 0.0
387 6 1 3 44.934 89.868 0.395 2.83 6 0.2 0.0
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 1 0 1 7.132 14.265 7.20385 245.7 44.5 44.7 5.6
2 1 0 2 9.956 19.913 5.17333 552.0 100.0 100.0 5.6
3 0 0 3 12.029 24.057 4.292 45.1 8.2 8.1 5.6
4 2 0 1 12.547 25.093 4.11753 46.6 8.4 8.4 5.6
5 2 0 2 14.379 28.757 3.60192 519.3 94.1 93.4 5.6
6 1 1 3 15.916 31.833 3.26166 355.8 64.5 63.9 5.6
7 2 1 1 16.32 32.64 3.18309 496.6 90.0 89.1 5.6
8 2 1 2 17.799 35.598 2.92613 169.1 30.6 30.2 5.7
9 3 0 0 17.983 35.966 2.89714 13.9 2.5 2.5 5.7
10 2 0 4 20.23 40.461 2.58666 312.8 56.7 55.7 5.7
11 2 2 0 20.885 41.771 2.509 262.6 47.6 46.7 5.7
12 1 0 5 21.239 42.478 2.4691 11.1 2.0 2.0 5.7
13 3 0 3 21.869 43.739 2.40128 6.5 1.2 1.2 5.7
14 2 0 5 23.812 47.624 2.21543 28.6 5.2 5.1 5.7
15 4 0 1 24.675 49.35 2.14256 11.3 2.1 2.0 5.7
16 4 0 2 25.751 51.502 2.05876 21.5 3.9 3.8 5.8
17 1 2 5 26.189 52.379 2.0267 45.5 8.2 8.0 5.8
18 1 3 4 27.618 55.235 1.92951 27.6 5.0 4.8 5.8
19 2 3 2 28.009 56.018 1.90469 19.2 3.5 3.4 5.8
20 4 0 4 29.779 59.558 1.80096 166.6 30.2 29.0 5.8
21 3 1 5 30.548 61.096 1.75985 5.7 1.0 1.0 5.8
22 1 4 3 31.038 62.075 1.73479 65.4 11.8 11.3 5.8
23 3 0 6 31.245 62.49 1.72444 22.0 4.0 3.8 5.8
24 5 0 1 31.281 62.562 1.72266 35.8 6.5 6.2 5.8
25 2 0 7 31.873 63.746 1.69393 22.9 4.1 4.0 5.9
26 3 3 0 32.327 64.654 1.67267 17.4 3.2 3.0 5.9
27 4 0 5 32.589 65.178 1.66069 15.1 2.7 2.6 5.9
28 4 2 1 33.297 66.594 1.62932 5.6 1.0 1.0 5.9
29 2 1 7 33.87 67.74 1.60495 37.7 6.8 6.5 5.9
30 2 4 2 34.195 68.389 1.59154 10.2 1.9 1.8 5.9
31 3 2 5 34.565 69.13 1.57659 21.4 3.9 3.7 5.9
32 3 3 3 35.024 70.049 1.5585 27.8 5.0 4.7 5.9
33 5 1 1 35.253 70.506 1.54968 14.7 2.7 2.5 5.9
34 2 0 8 36.344 72.688 1.50931 30.4 5.5 5.2 6.0
35 4 2 4 37.688 75.376 1.46307 58.0 10.5 9.8 6.0
36 6 0 0 38.132 76.264 1.44857 19.6 3.6 3.3 6.0
37 0 0 9 38.697 77.394 1.43067 6.2 1.1 1.0 6.0
38 1 4 6 39.005 78.011 1.42114 15.6 2.8 2.6 6.0
39 3 4 1 39.038 78.076 1.42015 26.5 4.8 4.5 6.0
40 2 3 7 41.421 82.841 1.352 29.2 5.3 4.9 6.1
41 2 5 3 42.503 85.007 1.32388 34.2 6.2 5.7 6.1
42 6 1 2 43.551 87.102 1.2982 7.3 1.3 1.2 6.1
43 4 0 8 43.756 87.513 1.29333 18.2 3.3 3.0 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)
|