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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REEDERITE_Y
1, DF
Na(15)Y(2)[CO(3)](9)[SO(3)F]Cl
Hexagonal P 6(-) Z = 1
P6(-)
15 .10 .1999
Ref.Str.:
Grice J.D., Gault R.A., Chao G.Y. (1995)
* Amer. Mineral., 80, 1059-1064
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.773 alpha = 90.0
b = 8.773 beta = 90.0
c = 10.746 gamma = 120.0
Unit cell volume (cub. angs.) = 716.26
Molar volume ( cub.cm/mol.) = 431.43
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.1781 0.01 Y = 1.00
2 0.3333 0.6667 0.1983 0.02 Na = 1.00
3 0.3525 0.9032 0.2615 0.02 Na = 1.00
4 0.6137 0.9633 0.0 0.05 Na = 1.00
5 0.4434 0.1209 0.5 0.02 Na = 1.00
6 0.0 0.0 0.5 0.02 Na = 1.00
7 0.3333 0.6667 0.0 0.27 Cl = 1.00
8 0.714 0.6463 0.0 0.01 C = 1.00
9 0.3203 0.2521 0.6997 0.01 C = 1.00
10 0.9089 0.3455 0.8977 0.03 O = 1.00
11 0.8327 0.8105 0.0 0.02 O = 1.00
12 0.8885 0.5304 0.6543 0.02 O = 1.00
13 0.8645 0.7725 0.6596 0.02 O = 1.00
14 0.046 0.7481 0.7901 0.02 O = 1.00
15 0.1934 0.493 0.5 0.1 O = 1.00
16 0.3333 0.6667 0.5 0.02 S = 1.00
17 0.3333 0.6667 0.3533 0.01 F = 0.5 , F = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.1781
2 2 0.3333 0.6667 0.1983
3 3 0.3525 0.9032 0.2615
4 4 0.6137 0.9633 0.0
5 5 0.4434 0.1209 0.5
6 6 0.0 0.0 0.5
7 7 0.3333 0.6667 0.0
8 8 0.714 0.6463 0.0
9 9 0.3203 0.2521 0.6997
10 10 0.9089 0.3455 0.8977
11 11 0.8327 0.8105 0.0
12 12 0.8885 0.5304 0.6543
13 13 0.8645 0.7725 0.6596
14 14 0.046 0.7481 0.7901
15 15 0.1934 0.493 0.5
16 16 0.3333 0.6667 0.5
17 17 0.3333 0.6667 0.3533
18 3 0.0968 0.4493 0.2615
19 3 0.5507 0.6475 0.2615
20 4 0.0367 0.6504 0.0
21 4 0.3496 0.3863 0.0
22 5 0.8791 0.3225 0.5
23 5 0.6775 0.5566 0.5
24 8 0.3537 0.0677 0.0
25 8 0.9323 0.286 0.0
26 9 0.7479 0.0682 0.6997
27 9 0.9318 0.6797 0.6997
28 10 0.6545 0.5634 0.8977
29 10 0.4366 0.0911 0.8977
30 11 0.1895 0.0222 0.0
31 11 0.9778 0.1673 0.0
32 12 0.4696 0.3581 0.6543
33 12 0.6419 0.1115 0.6543
34 13 0.2275 0.092 0.6596
35 13 0.908 0.1355 0.6596
36 14 0.2519 0.2979 0.7901
37 14 0.7021 0.954 0.7901
38 15 0.507 0.7004 0.5
39 15 0.2996 0.8066 0.5
40 1 0.0 0.0 0.8219
41 2 0.3333 0.6667 0.8017
42 3 0.3525 0.9032 0.7385
43 9 0.3203 0.2521 0.3003
44 10 0.9089 0.3455 0.1023
45 12 0.8885 0.5304 0.3457
46 13 0.8645 0.7725 0.3404
47 14 0.046 0.7481 0.2099
48 17 0.3333 0.6667 0.6467
49 3 0.0968 0.4493 0.7385
50 3 0.5507 0.6475 0.7385
51 9 0.7479 0.0682 0.3003
52 9 0.9318 0.6797 0.3003
53 10 0.6545 0.5634 0.1023
54 10 0.4366 0.0911 0.1023
55 12 0.4696 0.3581 0.3457
56 12 0.6419 0.1115 0.3457
57 13 0.2275 0.092 0.3404
58 13 0.908 0.1355 0.3404
59 14 0.2519 0.2979 0.2099
60 14 0.7021 0.954 0.2099
X-ray density (g/cm cub.) = 2.77
MU (1/cm) = 109.273 Mass attenuation coefficient (cm**2/g) = 39.382
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y 3.336 9
2.4781 11
2.4781 11
2.478 11
2.4629 13
2.4607 14
2.4629 13
2.4628 13
2.4607 14
2.4606 14
2 Na 3.348 5
2.1309 7
1.6656 17
2.9459 14
2.9468 14
2.9465 14
3 Na 3.348 7
2.2264 17
2.6662 15
2.3938 14
2.2298 10
2.4423 12
2.5458 13
2.9234 14
4 Na 3.348 9
2.534 7
3.2365 10
2.8397 11
2.5732 10
2.7731 11
2.3998 14
3.2365 10
2.5732 10
2.3998 14
5 Na 3.348 7
2.5795 12
2.4357 12
2.4724 13
2.3908 15
2.5795 12
2.4357 12
2.4724 13
6 Na 3.348 6
2.4424 13
2.4424 13
2.4424 13
2.4424 13
2.4424 13
2.4424 13
7 Cl 4.344 17
3.5384 10
3.9064 11
3.7082 14
3.7966 17
3.539 10
3.5381 10
3.9054 11
3.9061 11
3.7089 14
3.7087 14
3.5384 10
3.7082 14
3.7966 17
3.539 10
3.5381 10
3.7089 14
3.7087 14
8 C 2.412 3
1.2882 11
1.2769 10
1.2769 10
9 C 2.412 3
1.265 12
1.2954 13
1.3062 14
10 O 3.804 11
3.5384 7
3.1297 12
3.3182 14
3.5919 10
3.5919 10
2.2278 11
3.4254 12
3.1506 13
3.4385 14
3.1928 14
2.1986 10
11 O 3.804 10
3.6963 13
3.1486 14
2.2278 10
2.7265 11
2.7265 11
3.0704 14
3.6963 13
3.1486 14
2.2278 10
3.0704 14
12 O 3.804 11
3.1297 10
2.2374 13
2.2467 14
3.2999 15
3.4254 10
3.1993 12
3.1993 12
3.5536 13
3.5902 15
3.3162 12
3.4638 17
13 O 3.804 10
3.6963 11
2.2374 12
2.211 14
3.1506 10
3.5536 12
3.0119 13
3.0119 13
2.9665 14
3.3458 15
3.4301 13
14 O 3.804 11
3.7082 7
3.3182 10
3.1486 11
2.2467 12
2.211 13
3.1928 10
3.4385 10
3.0704 11
2.9665 13
3.7135 15
3.3222 17
15 O 3.804 12
3.2999 12
2.1079 17
3.5902 12
3.3458 13
3.7135 14
2.4236 15
2.4236 15
3.2999 12
2.1079 17
3.5902 12
3.3458 13
3.7135 14
16 S 2.52 5
1.3994 15
1.5764 17
1.3997 15
1.3987 15
1.5764 17
17 F ,F 3.768 10
2.1079 15
2.1082 15
2.1075 15
3.4638 12
3.3222 14
3.1529 17
3.4647 12
3.464 12
3.3231 14
3.3228 14
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 4.111 8.221 0.047 386.26 2 24.0 86.6
2 1 0 0 5.819 11.638 0.066 191.6 6 64.2 922.9
3 1 0 1 7.133 14.265 0.081 126.77 12 32.9 320.7
4 0 0 2 8.242 16.485 0.093 94.37 2 47.2 81.8
5 1 0 2 10.113 20.226 0.114 61.96 12 47.7 330.1
6 1 1 0 10.114 20.227 0.114 61.94 6 55.9 226.3
7 1 1 1 10.933 21.867 0.123 52.7 12 0.5 0.0
8 2 0 0 11.699 23.398 0.132 45.76 6 101.0 546.3
9 0 0 3 12.418 24.836 0.14 40.38 2 3.7 0.2
10 2 0 1 12.419 24.839 0.14 40.37 12 31.5 93.5
11 1 1 2 13.102 26.205 0.147 36.06 12 32.1 86.8
12 1 0 3 13.753 27.507 0.154 32.54 12 46.2 162.6
13 2 0 2 14.379 28.757 0.161 29.61 12 38.2 101.2
14 1 2 0 15.559 31.119 0.174 25.0 6 87.2 222.1
15 2 1 0 15.559 31.119 0.174 25.0 6 44.6 58.2
16 1 1 3 16.119 32.238 0.18 23.17 12 99.4 535.7
17 1 2 1 16.12 32.24 0.18 23.16 12 30.6 50.9
18 2 1 1 16.12 32.24 0.18 23.16 12 48.2 126.1
19 0 0 4 16.662 33.324 0.186 21.56 2 112.6 106.6
20 2 0 3 17.191 34.383 0.192 20.14 12 62.2 182.3
21 1 0 4 17.705 35.41 0.197 18.89 12 65.7 190.9
22 1 2 2 17.707 35.413 0.197 18.89 12 84.0 311.9
23 2 1 2 17.707 35.413 0.197 18.89 12 77.3 263.7
24 3 0 0 17.707 35.414 0.197 18.88 6 146.2 472.1
25 3 0 1 18.209 36.418 0.203 17.76 12 66.7 184.9
26 1 1 4 19.647 39.294 0.218 15.02 12 14.1 6.9
27 3 0 2 19.648 39.297 0.218 15.02 12 21.4 16.1
28 1 2 3 20.108 40.216 0.223 14.26 12 94.9 300.2
29 2 1 3 20.108 40.216 0.223 14.26 12 122.3 498.7
30 2 0 4 20.559 41.119 0.228 13.58 12 18.0 10.3
31 2 2 0 20.561 41.122 0.228 13.57 6 85.1 115.1
32 0 0 5 21.002 42.004 0.233 12.94 2 12.8 0.8
33 2 2 1 21.005 42.009 0.233 12.94 12 17.2 8.9
34 1 3 0 21.441 42.882 0.237 12.36 6 57.1 47.1
35 3 1 0 21.441 42.882 0.237 12.36 6 84.3 102.6
36 1 0 5 21.868 43.736 0.242 11.82 12 61.4 104.1
37 3 0 3 21.869 43.739 0.242 11.82 12 75.5 157.6
38 1 3 1 21.87 43.741 0.242 11.82 12 17.7 8.6
39 3 1 1 21.87 43.741 0.242 11.82 12 10.3 3.0
40 2 2 2 22.293 44.585 0.246 11.32 12 38.1 38.5
41 1 2 4 23.118 46.237 0.255 10.43 12 16.3 6.4
42 2 1 4 23.118 46.237 0.255 10.43 12 34.8 29.5
43 1 3 2 23.12 46.239 0.255 10.43 12 55.0 73.7
44 3 1 2 23.12 46.239 0.255 10.43 12 68.6 114.6
45 1 1 5 23.523 47.045 0.259 10.03 12 72.6 123.6
46 4 0 0 23.925 47.849 0.263 9.65 6 13.9 2.2
47 2 0 5 24.317 48.634 0.267 9.3 12 23.3 11.8
48 2 2 3 24.319 48.637 0.267 9.3 12 75.8 124.8
49 4 0 1 24.319 48.639 0.267 9.3 12 19.8 8.5
50 3 0 4 24.708 49.416 0.271 8.97 12 50.6 53.7
51 1 3 3 25.094 50.188 0.275 8.66 12 77.5 121.6
52 3 1 3 25.094 50.188 0.275 8.66 12 58.2 68.5
53 0 0 6 25.473 50.946 0.279 8.37 2 156.8 80.2
54 4 0 2 25.476 50.952 0.279 8.36 12 45.7 40.8
55 1 0 6 26.223 52.447 0.287 7.83 12 59.5 64.7
56 2 3 0 26.227 52.453 0.287 7.83 6 67.5 41.7
57 3 2 0 26.227 52.453 0.287 7.83 6 91.7 77.0
58 1 2 5 26.594 53.188 0.291 7.58 12 24.4 10.6
59 2 1 5 26.594 53.188 0.291 7.58 12 40.9 29.6
60 2 3 1 26.596 53.192 0.291 7.58 12 22.4 8.9
61 3 2 1 26.596 53.192 0.291 7.58 12 7.1 0.9
62 2 2 4 26.961 53.922 0.294 7.35 12 63.3 68.8
63 4 0 3 27.324 54.648 0.298 7.13 12 83.9 117.3
64 1 1 6 27.681 55.362 0.302 6.92 12 85.4 118.1
65 1 3 4 27.683 55.366 0.302 6.92 12 36.7 21.8
66 3 1 4 27.683 55.366 0.302 6.92 12 25.8 10.8
67 2 3 2 27.684 55.368 0.302 6.92 12 34.7 19.5
68 3 2 2 27.684 55.368 0.302 6.92 12 76.9 95.6
69 1 4 0 27.684 55.369 0.302 6.92 6 151.4 185.5
70 4 1 0 27.684 55.369 0.302 6.92 6 153.1 189.6
71 3 0 5 28.039 56.077 0.305 6.72 12 74.8 88.0
72 1 4 1 28.041 56.081 0.305 6.72 12 12.2 2.3
73 4 1 1 28.041 56.081 0.305 6.72 12 17.6 4.9
74 2 0 6 28.391 56.782 0.309 6.54 12 58.1 51.7
75 1 4 2 29.092 58.184 0.316 6.19 12 40.3 23.5
76 4 1 2 29.092 58.184 0.316 6.19 12 17.5 4.4
77 2 3 3 29.437 58.874 0.319 6.02 12 54.1 41.3
78 3 2 3 29.437 58.874 0.319 6.02 12 20.0 5.6
79 4 0 4 29.779 59.558 0.322 5.87 12 65.3 58.6
80 0 0 7 30.117 60.234 0.326 5.72 2 46.8 4.9
81 2 2 5 30.119 60.238 0.326 5.72 12 54.7 40.0
82 1 2 6 30.456 60.912 0.329 5.58 12 17.2 3.9
83 2 1 6 30.456 60.912 0.329 5.58 12 83.3 90.6
84 5 0 0 30.459 60.918 0.329 5.58 6 7.2 0.3
85 1 0 7 30.791 61.582 0.332 5.45 12 5.3 0.4
86 1 3 5 30.793 61.585 0.332 5.45 12 35.7 16.2
87 3 1 5 30.793 61.585 0.332 5.45 12 60.0 45.9
88 1 4 3 30.794 61.588 0.332 5.45 12 57.3 41.8
89 4 1 3 30.794 61.588 0.332 5.45 12 67.3 57.7
90 5 0 1 30.795 61.589 0.332 5.45 12 48.1 29.5
91 3 0 6 31.787 63.574 0.342 5.08 12 78.1 72.5
92 2 3 4 31.789 63.577 0.342 5.08 12 21.2 5.3
93 3 2 4 31.789 63.577 0.342 5.08 12 18.9 4.2
94 5 0 2 31.79 63.579 0.342 5.08 12 18.0 3.8
95 3 3 0 31.79 63.58 0.342 5.08 6 82.9 40.8
96 1 1 7 32.114 64.228 0.345 4.97 12 24.9 7.2
97 3 3 1 32.118 64.236 0.345 4.97 12 20.1 4.7
98 2 4 0 32.444 64.888 0.348 4.86 6 45.5 11.8
99 4 2 0 32.444 64.888 0.348 4.86 6 52.1 15.4
100 2 0 7 32.764 65.529 0.351 4.76 12 20.8 4.8
101 4 0 5 32.766 65.533 0.351 4.76 12 62.3 43.2
102 2 4 1 32.768 65.536 0.351 4.76 12 31.3 10.9
103 4 2 1 32.768 65.536 0.351 4.76 12 18.3 3.7
104 1 4 4 33.09 66.179 0.354 4.66 12 28.4 8.8
105 4 1 4 33.09 66.179 0.354 4.66 12 26.7 7.8
106 3 3 2 33.091 66.181 0.354 4.66 12 15.8 2.7
107 5 0 3 33.411 66.823 0.357 4.56 12 42.4 19.2
108 2 2 6 33.729 67.458 0.36 4.47 12 61.9 40.1
109 2 4 2 33.731 67.463 0.36 4.47 12 33.4 11.7
110 4 2 2 33.731 67.463 0.36 4.47 12 9.6 1.0
111 1 3 6 34.364 68.727 0.366 4.3 12 27.1 7.4
112 3 1 6 34.364 68.727 0.366 4.3 12 50.1 25.3
113 1 5 0 34.366 68.733 0.366 4.3 6 45.8 10.6
114 5 1 0 34.366 68.733 0.366 4.3 6 66.7 22.4
115 1 2 7 34.678 69.356 0.369 4.22 12 44.1 19.2
116 2 1 7 34.678 69.356 0.369 4.22 12 25.3 6.3
117 2 3 5 34.68 69.36 0.369 4.22 12 7.2 0.5
118 3 2 5 34.68 69.36 0.369 4.22 12 22.9 5.2
119 3 3 3 34.681 69.362 0.369 4.22 12 42.6 17.9
120 1 5 1 34.682 69.363 0.369 4.22 12 16.9 2.8
121 5 1 1 34.682 69.363 0.369 4.22 12 44.5 19.6
122 0 0 8 34.991 69.982 0.372 4.15 2 52.5 4.5
123 2 4 3 35.308 70.616 0.375 4.07 12 54.1 27.9
124 4 2 3 35.308 70.616 0.375 4.07 12 53.1 26.9
125 1 0 8 35.615 71.23 0.378 4.0 12 59.5 33.2
126 5 0 4 35.619 71.238 0.378 4.0 12 50.4 23.8
127 1 5 2 35.62 71.239 0.378 4.0 12 41.5 16.1
128 5 1 2 35.62 71.239 0.378 4.0 12 20.7 4.0
129 3 0 7 35.927 71.853 0.381 3.93 12 17.2 2.7
130 1 4 5 35.929 71.857 0.381 3.93 12 5.3 0.3
131 4 1 5 35.929 71.857 0.381 3.93 12 24.6 5.6
132 4 0 6 36.237 72.474 0.384 3.87 12 39.2 13.9
133 1 1 8 36.851 73.701 0.389 3.75 12 53.0 24.7
134 3 3 4 36.854 73.708 0.389 3.75 12 38.3 12.9
135 1 5 3 37.161 74.322 0.392 3.69 12 58.1 29.2
136 5 1 3 37.161 74.322 0.392 3.69 12 16.3 2.3
137 2 0 8 37.462 74.924 0.395 3.64 12 21.3 3.9
138 2 4 4 37.466 74.932 0.395 3.64 12 13.1 1.5
139 4 2 4 37.466 74.932 0.395 3.64 12 34.6 10.2
140 6 0 0 37.467 74.934 0.395 3.63 6 82.2 28.7
141 2 2 7 37.768 75.536 0.398 3.58 12 15.9 2.1
142 6 0 1 37.771 75.543 0.398 3.58 12 17.2 2.5
143 2 3 6 38.073 76.145 0.4 3.53 12 63.1 32.9
144 3 2 6 38.073 76.145 0.4 3.53 12 38.1 12.0
145 3 4 0 38.075 76.15 0.4 3.53 6 66.0 18.0
146 4 3 0 38.075 76.15 0.4 3.53 6 73.1 22.1
147 1 3 7 38.374 76.749 0.403 3.48 12 10.7 0.9
148 3 1 7 38.374 76.749 0.403 3.48 12 24.0 4.7
149 5 0 5 38.376 76.753 0.403 3.48 12 56.5 26.0
150 3 4 1 38.378 76.756 0.403 3.48 12 19.2 3.0
151 4 3 1 38.378 76.756 0.403 3.48 12 15.1 1.9
152 6 0 2 38.68 77.36 0.406 3.44 12 20.2 3.3
153 1 2 8 39.278 78.555 0.411 3.35 12 30.8 7.4
154 2 1 8 39.278 78.555 0.411 3.35 12 23.6 4.4
155 1 4 6 39.28 78.56 0.411 3.35 12 56.1 24.6
156 4 1 6 39.28 78.56 0.411 3.35 12 71.7 40.3
157 1 5 4 39.281 78.563 0.411 3.35 12 11.9 1.1
158 5 1 4 39.281 78.563 0.411 3.35 12 12.0 1.1
159 3 4 2 39.282 78.564 0.411 3.35 12 54.7 23.4
160 4 3 2 39.282 78.564 0.411 3.35 12 63.7 31.8
161 2 5 0 39.282 78.565 0.411 3.35 6 60.5 14.4
162 5 2 0 39.282 78.565 0.411 3.35 6 75.5 22.3
163 3 3 5 39.581 79.161 0.414 3.31 12 73.3 41.6
164 2 5 1 39.582 79.165 0.414 3.31 12 25.1 4.9
165 5 2 1 39.582 79.165 0.414 3.31 12 8.1 0.5
166 0 0 9 40.175 80.35 0.419 3.23 2 4.0 0.0
167 4 0 7 40.177 80.355 0.419 3.23 12 31.1 7.3
168 2 4 5 40.179 80.358 0.419 3.23 12 45.0 15.3
169 4 2 5 40.179 80.358 0.419 3.23 12 12.6 1.2
170 6 0 3 40.18 80.361 0.419 3.23 12 54.0 22.1
171 3 0 8 40.475 80.95 0.421 3.2 12 21.2 3.4
172 2 5 2 40.479 80.958 0.421 3.2 12 28.5 6.1
173 5 2 2 40.479 80.958 0.421 3.2 12 13.0 1.3
174 1 0 9 40.771 81.543 0.424 3.16 12 26.5 5.2
175 3 4 3 40.777 81.553 0.424 3.16 12 74.5 41.1
176 4 3 3 40.777 81.553 0.424 3.16 12 20.1 3.0
177 5 0 6 41.666 83.332 0.432 3.07 12 36.8 9.7
178 1 6 0 41.669 83.337 0.432 3.07 6 49.5 8.8
179 6 1 0 41.669 83.337 0.432 3.07 6 89.3 28.6
180 1 1 9 41.959 83.918 0.434 3.04 12 56.9 23.0
181 2 3 7 41.961 83.923 0.434 3.04 12 5.1 0.2
182 3 2 7 41.961 83.923 0.434 3.04 12 15.0 1.6
183 1 5 5 41.963 83.926 0.434 3.04 12 27.8 5.5
184 5 1 5 41.963 83.926 0.434 3.04 12 37.1 9.8
185 2 5 3 41.964 83.928 0.434 3.04 12 63.5 28.7
186 5 2 3 41.964 83.928 0.434 3.04 12 45.1 14.5
187 1 6 1 41.965 83.929 0.434 3.04 12 11.3 0.9
188 6 1 1 41.965 83.929 0.434 3.04 12 21.3 3.2
189 2 2 8 42.256 84.512 0.436 3.02 12 62.8 27.8
190 6 0 4 42.26 84.519 0.437 3.01 12 33.4 7.9
191 2 0 9 42.551 85.101 0.439 2.99 12 44.7 14.0
192 1 3 8 42.847 85.694 0.441 2.97 12 65.1 29.4
193 3 1 8 42.847 85.694 0.441 2.97 12 43.3 13.0
194 3 3 6 42.849 85.699 0.441 2.97 12 91.9 58.6
195 3 4 4 42.851 85.701 0.441 2.97 12 29.2 5.9
196 4 3 4 42.851 85.701 0.441 2.97 12 36.4 9.2
197 1 6 2 42.852 85.703 0.441 2.97 12 17.2 2.1
198 6 1 2 42.852 85.703 0.441 2.97 12 80.4 44.9
199 1 4 7 43.144 86.287 0.444 2.94 12 22.8 3.6
200 4 1 7 43.144 86.287 0.444 2.94 12 35.0 8.4
201 2 4 6 43.439 86.879 0.446 2.92 12 35.5 8.6
202 4 2 6 43.439 86.879 0.446 2.92 12 66.2 29.9
203 2 5 4 44.03 88.061 0.451 2.88 12 24.8 4.1
204 5 2 4 44.03 88.061 0.451 2.88 12 18.6 2.3
205 1 2 9 44.32 88.641 0.454 2.87 12 72.8 35.5
206 2 1 9 44.32 88.641 0.454 2.87 12 48.8 15.9
207 1 6 3 44.325 88.651 0.454 2.86 12 67.8 30.8
208 6 1 3 44.325 88.651 0.454 2.86 12 30.7 6.3
209 4 0 8 44.616 89.232 0.456 2.85 12 65.0 28.1
210 4 4 0 44.621 89.241 0.456 2.85 6 101.5 34.3
211 6 0 5 44.913 89.827 0.458 2.83 12 48.0 15.3
212 4 4 1 44.915 89.83 0.458 2.83 12 22.3 3.3
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 4.111 8.221 10.746 86.6 7.0 7.1 5.6
2 1 0 0 5.819 11.638 7.59764 922.9 74.5 75.8 5.6
3 1 0 1 7.133 14.265 6.2037 320.7 25.9 26.3 5.6
4 0 0 2 8.242 16.485 5.373 81.8 6.6 6.7 5.6
5 1 0 2 10.113 20.226 4.38686 556.4 44.9 45.5 5.6
6 2 0 0 11.699 23.398 3.79882 546.3 44.1 44.5 5.6
7 2 0 1 12.419 24.839 3.58161 93.5 7.5 7.6 5.6
8 1 1 2 13.102 26.205 3.39793 86.8 7.0 7.1 5.6
9 1 0 3 13.753 27.507 3.23997 162.6 13.1 13.2 5.6
10 2 0 2 14.379 28.757 3.10185 101.2 8.2 8.2 5.6
11 1 2 0 15.559 31.119 2.87164 280.3 22.6 22.7 5.6
12 1 1 3 16.119 32.238 2.77447 712.7 57.5 57.7 5.6
13 0 0 4 16.662 33.324 2.6865 106.6 8.6 8.6 5.7
14 2 0 3 17.191 34.383 2.60614 182.3 14.7 14.7 5.7
15 3 0 0 17.707 35.414 2.53255 1238.5 100.0 100.0 5.7
16 3 0 1 18.209 36.418 2.46502 184.9 14.9 14.9 5.7
17 3 0 2 19.648 39.297 2.29083 23.0 1.9 1.9 5.7
18 2 1 3 20.108 40.216 2.24053 798.9 64.5 64.2 5.7
19 2 2 0 20.561 41.122 2.19325 125.4 10.1 10.1 5.7
20 3 1 0 21.441 42.882 2.10721 149.7 12.1 12.0 5.7
21 3 0 3 21.869 43.739 2.0679 273.3 22.1 21.9 5.7
22 2 2 2 22.293 44.585 2.03059 38.5 3.1 3.1 5.7
23 3 1 2 23.12 46.239 1.96173 224.3 18.1 17.9 5.7
24 1 1 5 23.523 47.045 1.92999 123.6 10.0 9.9 5.7
25 2 2 3 24.319 48.637 1.87047 145.1 11.7 11.6 5.7
26 3 0 4 24.708 49.416 1.8428 53.7 4.3 4.3 5.7
27 1 3 3 25.094 50.188 1.81624 190.1 15.3 15.1 5.7
28 0 0 6 25.473 50.946 1.791 121.0 9.8 9.6 5.8
29 3 2 0 26.227 52.453 1.74302 183.5 14.8 14.5 5.8
30 2 1 5 26.594 53.188 1.72066 50.0 4.0 4.0 5.8
31 2 2 4 26.961 53.922 1.69897 68.8 5.6 5.4 5.8
32 4 0 3 27.324 54.648 1.67808 117.3 9.5 9.3 5.8
33 4 1 0 27.684 55.369 1.65794 641.0 51.8 50.6 5.8
34 3 0 5 28.039 56.077 1.63867 95.2 7.7 7.5 5.8
35 2 0 6 28.391 56.782 1.61998 51.7 4.2 4.1 5.8
36 1 4 2 29.092 58.184 1.58423 28.0 2.3 2.2 5.8
37 2 3 3 29.437 58.874 1.56731 46.9 3.8 3.7 5.8
38 4 0 4 29.779 59.558 1.55093 58.6 4.7 4.6 5.8
39 2 2 5 30.119 60.238 1.53505 44.9 3.6 3.5 5.8
40 2 1 6 30.456 60.912 1.51966 94.8 7.7 7.4 5.8
41 5 0 1 30.795 61.589 1.50456 191.2 15.4 15.0 5.8
42 3 0 6 31.787 63.574 1.46229 126.7 10.2 9.9 5.9
43 4 2 0 32.444 64.888 1.43582 27.2 2.2 2.1 5.9
44 2 4 1 32.768 65.536 1.42317 62.7 5.1 4.9 5.9
45 1 4 4 33.09 66.179 1.41089 19.3 1.6 1.5 5.9
46 5 0 3 33.411 66.823 1.39887 19.2 1.5 1.5 5.9
47 2 2 6 33.729 67.458 1.38723 52.7 4.3 4.1 5.9
48 5 1 0 34.366 68.733 1.36458 65.6 5.3 5.1 5.9
49 5 1 1 34.682 69.363 1.35371 71.5 5.8 5.5 5.9
50 2 4 3 35.308 70.616 1.33274 54.8 4.4 4.2 5.9
51 1 0 8 35.615 71.23 1.32274 77.1 6.2 5.9 5.9
52 4 0 6 36.237 72.474 1.30307 13.9 1.1 1.1 5.9
53 1 1 8 36.851 73.701 1.28438 37.5 3.0 2.9 6.0
54 1 5 3 37.161 74.322 1.27518 31.4 2.5 2.4 6.0
55 6 0 0 37.467 74.934 1.26627 44.2 3.6 3.4 6.0
56 2 3 6 38.073 76.145 1.24912 85.0 6.9 6.5 6.0
57 5 0 5 38.376 76.753 1.24074 35.6 2.9 2.7 6.0
58 5 2 0 39.282 78.565 1.2166 170.9 13.8 13.0 6.0
59 3 3 5 39.581 79.161 1.20892 47.0 3.8 3.6 6.0
60 6 0 3 40.18 80.361 1.19387 45.9 3.7 3.5 6.0
61 3 4 3 40.777 81.553 1.1794 49.2 4.0 3.7 6.1
62 6 1 0 41.669 83.337 1.15863 47.2 3.8 3.5 6.1
63 2 5 3 41.964 83.928 1.15197 87.4 7.1 6.5 6.1
64 2 2 8 42.256 84.512 1.14549 35.7 2.9 2.7 6.1
65 2 0 9 42.551 85.101 1.13906 14.0 1.1 1.0 6.1
66 6 1 2 42.852 85.703 1.1326 163.1 13.2 12.2 6.1
67 4 2 6 43.439 86.879 1.12026 38.5 3.1 2.9 6.1
68 1 2 9 44.32 88.641 1.1025 88.6 7.2 6.6 6.2
69 4 4 0 44.621 89.241 1.09662 62.5 5.0 4.6 6.2
70 6 0 5 44.913 89.827 1.09099 18.6 1.5 1.4 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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