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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TULIOKITE
1, f-mckelveyite
Na(6)BaTh[CO(3)](6).6H(2)O
Hexagonal R 3(-) Z = 3
R =0.021 NR =565
23 .7 .1990
Ref.Str.:
N.A. Yamnova, D.Yu. Pusharovskij, A.V. Voloshin (1990)
* Dokl. Akad. Nauk SSSR, 310, 99-102
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.175 alpha = 90.0
b = 14.175 beta = 90.0
c = 8.605 gamma = 120.0
Unit cell volume (cub. angs.) = 1497.36
Molar volume ( cub.cm/mol.) = 300.64
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.5 3.14 Ba = 1.00
2 0.0 0.0 0.0 2.07 Th = 1.00
3 0.0941 0.4112 0.8748 3.42 Na = 1.00
4 0.1489 0.6589 0.856 2.7 C = 1.00
5 0.2028 0.1408 0.0798 3.0 O = 1.00
6 0.0737 0.1357 0.2297 2.8 O = 1.00
7 0.2708 0.0245 0.7379 3.0 O = 1.00
8 0.0893 0.571 0.2127 3.3 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.5
2 2 0.0 0.0 0.0
3 3 0.0941 0.4112 0.8748
4 4 0.1489 0.6589 0.856
5 5 0.2028 0.1408 0.0798
6 6 0.0737 0.1357 0.2297
7 7 0.2708 0.0245 0.7379
8 8 0.0893 0.571 0.2127
9 3 0.5888 0.6829 0.8748
10 3 0.3171 0.9059 0.8748
11 4 0.3411 0.49 0.856
12 4 0.51 0.8511 0.856
13 5 0.8592 0.062 0.0798
14 5 0.938 0.7972 0.0798
15 6 0.8643 0.938 0.2297
16 6 0.062 0.9263 0.2297
17 7 0.9755 0.2463 0.7379
18 7 0.7537 0.7292 0.7379
19 8 0.429 0.5183 0.2127
20 8 0.4817 0.9107 0.2127
21 1 0.6667 0.3333 0.8333
22 1 0.3333 0.6667 0.1667
23 2 0.6667 0.3333 0.3333
24 2 0.3333 0.6667 0.6667
25 3 0.2555 0.0162 0.2081
26 3 0.6504 0.5726 0.5415
27 4 0.0078 0.8233 0.1893
28 4 0.8433 0.5178 0.5227
29 5 0.5259 0.3953 0.4131
30 5 0.2713 0.4639 0.7465
31 6 0.531 0.2713 0.563
32 6 0.3953 0.593 0.8964
33 7 0.6422 0.5796 0.0712
34 7 0.087 0.3959 0.4046
35 8 0.0957 0.8516 0.546
36 8 0.815 0.5774 0.8794
37 3 0.9838 0.2392 0.2081
38 3 0.4274 0.0779 0.5415
39 3 0.7608 0.7445 0.2081
40 3 0.9221 0.3495 0.5415
41 4 0.1767 0.1844 0.1893
42 4 0.4822 0.3256 0.5227
43 4 0.8156 0.9922 0.1893
44 4 0.6744 0.1567 0.5227
45 5 0.6047 0.1305 0.4131
46 5 0.5361 0.8075 0.7465
47 5 0.8695 0.4741 0.4131
48 5 0.1925 0.7286 0.7465
49 6 0.7287 0.2596 0.563
50 6 0.407 0.8024 0.8964
51 6 0.7404 0.469 0.563
52 6 0.1976 0.6046 0.8964
53 7 0.4204 0.0625 0.0712
54 7 0.6041 0.6912 0.4046
55 7 0.9375 0.3578 0.0712
56 7 0.3088 0.9129 0.4046
57 8 0.1484 0.244 0.546
58 8 0.4226 0.2377 0.8794
59 8 0.756 0.9043 0.546
60 8 0.7623 0.185 0.8794
61 3 0.9059 0.5888 0.1252
62 4 0.8511 0.3411 0.144
63 5 0.7972 0.8592 0.9202
64 6 0.9263 0.8643 0.7703
65 7 0.7292 0.9755 0.2621
66 8 0.9107 0.429 0.7873
67 3 0.4112 0.3171 0.1252
68 3 0.6829 0.0941 0.1252
69 4 0.6589 0.51 0.144
70 4 0.49 0.1489 0.144
71 5 0.1408 0.938 0.9202
72 5 0.062 0.2028 0.9202
73 6 0.1357 0.062 0.7703
74 6 0.938 0.0737 0.7703
75 7 0.0245 0.7537 0.2621
76 7 0.2463 0.2708 0.2621
77 8 0.571 0.4817 0.7873
78 8 0.5183 0.0893 0.7873
79 3 0.7445 0.9838 0.7919
80 3 0.3496 0.4274 0.4585
81 4 0.9922 0.1767 0.8107
82 4 0.1567 0.4822 0.4773
83 5 0.4741 0.6047 0.5869
84 5 0.7287 0.5361 0.2535
85 6 0.469 0.7287 0.437
86 6 0.6047 0.407 0.1036
87 7 0.3578 0.4204 0.9288
88 7 0.913 0.6041 0.5954
89 8 0.9043 0.1484 0.454
90 8 0.185 0.4226 0.1206
91 3 0.0162 0.7608 0.7919
92 3 0.5726 0.9221 0.4585
93 3 0.2392 0.2555 0.7919
94 3 0.0779 0.6505 0.4585
95 4 0.8233 0.8156 0.8107
96 4 0.5178 0.6744 0.4773
97 4 0.1844 0.0078 0.8107
98 4 0.3256 0.8433 0.4773
99 5 0.3953 0.8695 0.5869
100 5 0.4639 0.1925 0.2535
101 5 0.1305 0.5259 0.5869
102 5 0.8075 0.2714 0.2535
103 6 0.2713 0.7404 0.437
104 6 0.593 0.1976 0.1036
105 6 0.2596 0.531 0.437
106 6 0.8024 0.3954 0.1036
107 7 0.5796 0.9375 0.9288
108 7 0.3959 0.3088 0.5954
109 7 0.0625 0.6422 0.9288
110 7 0.6912 0.0871 0.5954
111 8 0.8516 0.756 0.454
112 8 0.5774 0.7623 0.1206
113 8 0.244 0.0957 0.454
114 8 0.2377 0.815 0.1206
X-ray density (g/cm cub.) = 3.2
MU (1/cm) = 432.685 Mass attenuation coefficient (cm**2/g) = 135.046
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.288 12
2.8621 6
2.8621 6
2.8622 6
3.0448 8
3.0449 8
3.0449 8
2.8621 6
2.8621 6
2.8622 6
3.0448 8
3.0449 8
3.0449 8
2 Th 2.928 12
2.6422 5
2.5863 6
2.6421 5
2.6422 5
2.5863 6
2.5863 6
2.6422 5
2.5863 6
2.6421 5
2.6422 5
2.5863 6
2.5863 6
3 Na 2.808 6
2.3976 7
2.4926 5
2.384 6
2.5845 7
2.7824 5
2.4396 8
4 C 1.872 3
1.2795 5
1.3115 6
1.287 7
5 O 3.264 7
2.2103 6
2.9704 6
3.208 8
2.8975 5
2.8977 5
2.8605 6
2.2584 7
6 O 3.264 8
2.2103 5
2.9704 5
2.889 6
2.889 6
3.0435 8
2.8606 5
2.2462 7
3.1545 8
7 O 3.264 6
2.9682 8
2.9564 8
2.2584 5
2.2463 6
3.1795 8
2.741 8
8 O 3.264 9
2.9682 7
3.2081 5
3.0434 6
2.9565 7
3.1798 7
3.1211 8
3.1545 6
2.741 7
3.1213 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 1 1 0 6.239 12.479 0.071 166.36 6 357.8 5698.9
2 1 0 1 6.276 12.552 0.071 164.39 6 152.8 1027.0
3 2 0 -1 8.867 17.735 0.1 81.23 6 88.4 169.9
4 3 0 0 10.85 21.7 0.122 53.54 6 318.6 1454.1
5 1 2 -1 10.872 21.743 0.122 53.32 6 47.5 32.2
6 2 1 1 10.872 21.743 0.122 53.32 6 97.3 135.2
7 1 0 -2 10.936 21.872 0.123 52.67 6 232.9 764.6
8 2 2 0 12.554 25.108 0.141 39.46 6 199.9 422.2
9 2 0 2 12.629 25.258 0.142 38.97 6 363.2 1375.7
10 1 3 1 14.082 28.163 0.158 30.95 6 156.5 202.9
11 3 1 -1 14.082 28.163 0.158 30.95 6 10.3 0.9
12 1 2 2 14.132 28.264 0.158 30.72 6 406.3 1357.2
13 2 1 -2 14.132 28.264 0.158 30.72 6 325.4 870.2
14 4 0 1 15.455 30.909 0.173 25.37 6 60.4 24.8
15 0 0 3 15.578 31.156 0.174 24.94 2 153.5 52.4
16 1 4 0 16.711 33.422 0.187 21.42 6 321.7 593.4
17 4 1 0 16.711 33.422 0.187 21.42 6 441.0 1114.8
18 2 3 -1 16.725 33.451 0.187 21.38 6 32.6 6.1
19 3 2 1 16.725 33.451 0.187 21.38 6 19.6 2.2
20 1 3 -2 16.769 33.537 0.187 21.27 6 259.1 382.1
21 3 1 2 16.769 33.537 0.187 21.27 6 282.4 454.0
22 1 1 -3 16.84 33.681 0.188 21.07 6 92.1 47.9
23 1 1 3 16.84 33.681 0.188 21.07 6 84.8 40.5
24 4 0 -2 17.957 35.913 0.2 18.31 6 107.4 56.5
25 3 3 0 19.029 38.058 0.212 16.12 6 293.2 370.8
26 5 0 -1 19.042 38.083 0.212 16.1 6 230.6 229.1
27 2 3 2 19.08 38.161 0.212 16.02 6 566.4 1375.5
28 3 2 -2 19.08 38.161 0.212 16.02 6 351.8 530.8
29 3 0 -3 19.144 38.289 0.213 15.91 6 47.7 9.7
30 3 0 3 19.144 38.289 0.213 15.91 6 244.9 255.2
31 2 4 1 20.114 40.227 0.223 14.25 6 196.0 146.5
32 4 2 -1 20.114 40.227 0.223 14.25 6 31.2 3.7
33 2 2 -3 20.212 40.423 0.224 14.1 6 97.4 35.8
34 2 2 3 20.212 40.423 0.224 14.1 6 134.6 68.3
35 1 5 -1 21.14 42.28 0.234 12.76 6 99.5 33.8
36 5 1 1 21.14 42.28 0.234 12.76 6 40.3 5.5
37 5 0 2 21.175 42.351 0.234 12.71 6 254.0 219.3
38 1 0 4 21.316 42.633 0.236 12.52 6 369.5 457.5
39 6 0 0 22.116 44.232 0.244 11.53 6 193.4 115.4
40 2 4 -2 22.162 44.323 0.245 11.47 6 375.6 433.0
41 4 2 2 22.162 44.323 0.245 11.47 6 325.2 324.6
42 2 0 -4 22.298 44.595 0.246 11.31 6 276.4 231.4
43 2 5 0 23.07 46.14 0.254 10.48 6 290.9 237.2
44 5 2 0 23.07 46.14 0.254 10.48 6 157.4 69.5
45 3 4 -1 23.081 46.162 0.254 10.47 6 136.6 52.2
46 4 3 1 23.081 46.162 0.254 10.47 6 18.0 0.9
47 1 5 2 23.114 46.228 0.255 10.43 6 285.6 227.6
48 5 1 -2 23.114 46.228 0.255 10.43 6 377.2 397.1
49 1 4 -3 23.169 46.338 0.255 10.38 6 122.1 41.4
50 1 4 3 23.169 46.338 0.255 10.38 6 39.8 4.4
51 4 1 -3 23.169 46.338 0.255 10.38 6 36.8 3.8
52 4 1 3 23.169 46.338 0.255 10.38 6 49.1 6.7
53 1 2 -4 23.246 46.491 0.256 10.3 6 126.3 44.0
54 2 1 4 23.246 46.491 0.256 10.3 6 332.5 304.6
55 1 6 1 24.903 49.806 0.273 8.81 6 75.2 13.3
56 6 1 -1 24.903 49.806 0.273 8.81 6 135.0 42.9
57 3 4 2 24.934 49.869 0.274 8.78 6 197.0 91.2
58 4 3 -2 24.934 49.869 0.274 8.78 6 298.9 210.0
59 3 3 -3 24.986 49.972 0.274 8.74 6 114.3 30.5
60 3 3 3 24.986 49.972 0.274 8.74 6 59.9 8.4
61 1 3 4 25.059 50.117 0.275 8.68 6 212.6 105.0
62 3 1 -4 25.059 50.117 0.275 8.68 6 294.4 201.5
63 4 4 0 25.768 51.536 0.282 8.15 6 371.7 301.2
64 4 0 4 25.93 51.859 0.284 8.03 6 376.7 305.1
65 3 5 1 26.632 53.264 0.291 7.56 6 101.4 20.8
66 5 3 -1 26.632 53.264 0.291 7.56 6 112.7 25.7
67 7 0 1 26.632 53.264 0.291 7.56 6 53.1 5.7
68 1 6 -2 26.662 53.324 0.291 7.54 6 373.3 281.2
69 6 1 2 26.662 53.324 0.291 7.54 6 141.7 40.5
70 2 3 -4 26.78 53.561 0.292 7.46 6 273.1 149.0
71 3 2 4 26.78 53.561 0.292 7.46 6 196.3 77.0
72 1 0 -5 26.869 53.738 0.293 7.41 6 107.6 22.9
73 2 6 -1 27.468 54.935 0.299 7.05 6 68.8 8.9
74 6 2 1 27.468 54.935 0.299 7.05 6 51.9 5.1
75 6 0 -3 27.545 55.09 0.3 7.0 6 80.4 12.1
76 6 0 3 27.545 55.09 0.3 7.0 6 83.8 13.2
77 2 0 5 27.7 55.399 0.302 6.91 6 94.5 16.5
78 1 7 0 28.277 56.554 0.308 6.6 6 217.0 83.1
79 7 1 0 28.277 56.554 0.308 6.6 6 305.4 164.6
80 3 5 -2 28.315 56.63 0.308 6.58 6 95.1 15.9
81 5 3 2 28.315 56.63 0.308 6.58 6 172.4 52.3
82 7 0 -2 28.315 56.63 0.308 6.58 6 205.4 74.3
83 2 5 -3 28.362 56.725 0.308 6.55 6 98.6 17.0
84 2 5 3 28.362 56.725 0.308 6.55 6 95.1 15.9
85 5 2 -3 28.362 56.725 0.308 6.55 6 82.3 11.9
86 5 2 3 28.362 56.725 0.308 6.55 6 95.3 15.9
87 5 0 -4 28.429 56.858 0.309 6.52 6 185.8 60.2
88 1 2 5 28.514 57.028 0.31 6.47 6 34.9 2.1
89 2 1 -5 28.514 57.028 0.31 6.47 6 27.3 1.3
90 2 6 2 29.118 58.236 0.316 6.17 6 277.7 127.4
91 6 2 -2 29.118 58.236 0.316 6.17 6 259.6 111.3
92 2 4 4 29.23 58.46 0.317 6.12 6 117.7 22.7
93 4 2 -4 29.23 58.46 0.317 6.12 6 186.0 56.6
94 3 6 0 29.87 59.741 0.323 5.83 6 207.4 67.1
95 6 3 0 29.87 59.741 0.323 5.83 6 185.9 53.9
96 4 5 -1 29.88 59.759 0.323 5.83 6 83.1 10.8
97 5 4 1 29.88 59.759 0.323 5.83 6 64.9 6.6
98 1 5 -4 30.017 60.035 0.325 5.77 6 138.4 29.6
99 5 1 4 30.017 60.035 0.325 5.77 6 229.2 81.0
100 1 3 -5 30.1 60.199 0.326 5.73 6 80.3 9.9
101 3 1 5 30.1 60.199 0.326 5.73 6 112.1 19.3
102 8 0 -1 30.657 61.314 0.331 5.5 6 18.4 0.5
103 4 4 -3 30.729 61.459 0.332 5.47 6 45.0 3.0
104 4 4 3 30.729 61.459 0.332 5.47 6 31.1 1.4
105 4 0 -5 30.874 61.747 0.333 5.42 6 136.9 27.2
106 2 7 1 31.423 62.846 0.338 5.21 6 22.9 0.7
107 7 2 -1 31.423 62.846 0.338 5.21 6 37.3 1.9
108 4 5 2 31.45 62.899 0.339 5.2 6 141.7 27.9
109 5 4 -2 31.45 62.899 0.339 5.2 6 125.2 21.8
110 3 4 -4 31.557 63.113 0.34 5.16 6 226.7 71.0
111 4 3 4 31.557 63.113 0.34 5.16 6 259.1 92.7
112 2 3 5 31.637 63.273 0.34 5.13 6 2.5 0.0
113 3 2 -5 31.637 63.273 0.34 5.13 6 49.0 3.3
114 8 0 2 32.205 64.41 0.346 4.94 6 172.5 39.3
115 0 0 6 32.486 64.972 0.349 4.85 2 103.4 4.6
116 5 5 0 32.916 65.832 0.353 4.71 6 216.2 58.9
117 1 8 -1 32.925 65.849 0.353 4.71 6 14.2 0.3
118 8 1 1 32.925 65.849 0.353 4.71 6 122.9 19.0
119 2 7 -2 32.951 65.901 0.353 4.7 6 258.6 84.1
120 7 2 2 32.951 65.901 0.353 4.7 6 204.6 52.6
121 1 7 -3 32.994 65.988 0.353 4.69 6 68.5 5.9
122 1 7 3 32.994 65.988 0.353 4.69 6 42.3 2.2
123 7 1 -3 32.994 65.988 0.353 4.69 6 48.1 2.9
124 7 1 3 32.994 65.988 0.353 4.69 6 55.8 3.9
125 1 6 4 33.055 66.11 0.354 4.67 6 177.8 39.5
126 6 1 -4 33.055 66.11 0.354 4.67 6 206.0 53.0
127 5 0 5 33.133 66.266 0.355 4.64 6 28.9 1.0
128 1 1 -6 33.228 66.457 0.356 4.62 6 243.2 73.1
129 1 1 6 33.228 66.457 0.356 4.62 6 156.2 30.1
130 4 6 1 33.662 67.324 0.36 4.49 6 82.8 8.2
131 6 4 -1 33.662 67.324 0.36 4.49 6 0.5 0.0
132 2 4 -5 33.868 67.737 0.362 4.43 6 31.3 1.2
133 4 2 5 33.868 67.737 0.362 4.43 6 50.4 3.0
134 9 0 0 34.383 68.766 0.367 4.3 6 186.3 39.9
135 3 7 -1 34.392 68.784 0.367 4.3 6 23.4 0.6
136 7 3 1 34.392 68.784 0.367 4.3 6 118.2 16.1
137 1 8 2 34.417 68.835 0.367 4.29 6 244.5 68.6
138 8 1 -2 34.417 68.835 0.367 4.29 6 125.7 18.1
139 3 6 -3 34.46 68.92 0.367 4.28 6 74.5 6.4
140 3 6 3 34.46 68.92 0.367 4.28 6 51.6 3.1
141 6 3 -3 34.46 68.92 0.367 4.28 6 77.2 6.8
142 6 3 3 34.46 68.92 0.367 4.28 6 77.2 6.8
143 3 5 4 34.519 69.039 0.368 4.26 6 295.5 99.6
144 5 3 -4 34.519 69.039 0.368 4.26 6 210.4 50.5
145 7 0 4 34.519 69.039 0.368 4.26 6 195.8 43.7
146 1 5 5 34.596 69.192 0.369 4.24 6 102.9 12.0
147 5 1 -5 34.596 69.192 0.369 4.24 6 104.2 12.3
148 3 0 -6 34.689 69.378 0.369 4.22 6 228.7 59.1
149 3 0 6 34.689 69.378 0.369 4.22 6 167.1 31.5
150 2 8 0 35.106 70.212 0.373 4.12 6 158.3 27.6
151 8 2 0 35.106 70.212 0.373 4.12 6 185.7 38.0
152 4 6 -2 35.14 70.279 0.374 4.11 6 177.4 34.6
153 6 4 2 35.14 70.279 0.374 4.11 6 246.2 66.7
154 2 6 -4 35.241 70.481 0.375 4.09 6 197.1 42.5
155 6 2 4 35.241 70.481 0.375 4.09 6 144.0 22.7
156 2 2 -6 35.409 70.818 0.376 4.05 6 179.5 34.9
157 2 2 6 35.409 70.818 0.376 4.05 6 237.3 61.0
158 3 7 2 35.855 71.711 0.38 3.95 6 207.7 45.6
159 7 3 -2 35.855 71.711 0.38 3.95 6 198.5 41.6
160 3 4 5 36.031 72.062 0.382 3.91 6 52.3 2.9
161 4 3 -5 36.031 72.062 0.382 3.91 6 61.7 4.0
162 4 7 0 37.237 74.474 0.393 3.68 6 191.3 36.0
163 7 4 0 37.237 74.474 0.393 3.68 6 283.9 79.3
164 1 9 1 37.245 74.49 0.393 3.67 6 1.0 0.0
165 5 6 -1 37.245 74.49 0.393 3.67 6 75.6 5.6
166 6 5 1 37.245 74.49 0.393 3.67 6 28.5 0.8
167 9 1 -1 37.245 74.49 0.393 3.67 6 81.0 6.4
168 5 5 -3 37.311 74.622 0.393 3.66 6 7.6 0.1
169 5 5 3 37.311 74.622 0.393 3.66 6 68.6 4.6
170 4 5 -4 37.369 74.737 0.394 3.65 6 166.6 27.1
171 5 4 4 37.369 74.737 0.394 3.65 6 220.3 47.5
172 1 6 -5 37.443 74.886 0.395 3.64 6 2.5 0.0
173 6 1 5 37.443 74.886 0.395 3.64 6 58.2 3.3
174 1 4 -6 37.533 75.066 0.395 3.62 6 164.3 26.2
175 1 4 6 37.533 75.066 0.395 3.62 6 199.7 38.7
176 4 1 -6 37.533 75.066 0.395 3.62 6 207.9 41.9
177 4 1 6 37.533 75.066 0.395 3.62 6 178.6 30.9
178 8 0 -4 38.068 76.136 0.4 3.53 6 208.6 41.2
179 3 8 1 38.641 77.282 0.405 3.44 6 80.7 6.0
180 8 3 -1 38.641 77.282 0.405 3.44 6 73.4 5.0
181 1 9 -2 38.665 77.331 0.406 3.44 6 245.1 55.3
182 5 6 2 38.665 77.331 0.406 3.44 6 143.0 18.8
183 6 5 -2 38.665 77.331 0.406 3.44 6 140.2 18.1
184 9 1 2 38.665 77.331 0.406 3.44 6 210.9 40.9
185 9 0 -3 38.706 77.412 0.406 3.43 6 53.8 2.7
186 9 0 3 38.706 77.412 0.406 3.43 6 48.2 2.1
187 2 7 4 38.763 77.526 0.406 3.42 6 79.6 5.8
188 7 2 -4 38.763 77.526 0.406 3.42 6 238.5 52.1
189 3 5 -5 38.836 77.672 0.407 3.41 6 93.2 7.9
190 5 3 5 38.836 77.672 0.407 3.41 6 63.9 3.7
191 7 0 -5 38.836 77.672 0.407 3.41 6 73.8 5.0
192 3 3 -6 38.926 77.851 0.408 3.4 6 123.1 13.8
193 3 3 6 38.926 77.851 0.408 3.4 6 201.0 36.7
194 1 0 7 39.031 78.062 0.409 3.39 6 10.1 0.1
195 10 0 1 39.333 78.666 0.411 3.34 6 90.3 7.3
196 2 8 -3 39.398 78.795 0.412 3.33 6 91.5 7.5
197 2 8 3 39.398 78.795 0.412 3.33 6 58.2 3.0
198 8 2 -3 39.398 78.795 0.412 3.33 6 113.5 11.5
199 8 2 3 39.398 78.795 0.412 3.33 6 39.0 1.4
200 2 6 5 39.527 79.054 0.413 3.32 6 22.3 0.4
201 6 2 -5 39.527 79.054 0.413 3.32 6 56.6 2.8
202 2 0 -7 39.721 79.442 0.415 3.29 6 38.2 1.3
203 2 9 -1 40.022 80.043 0.417 3.25 6 105.0 9.6
204 9 2 1 40.022 80.043 0.417 3.25 6 65.8 3.8
205 3 8 -2 40.046 80.092 0.418 3.25 6 131.9 15.1
206 8 3 2 40.046 80.092 0.418 3.25 6 193.2 32.5
207 1 8 -4 40.142 80.285 0.418 3.24 6 211.7 38.8
208 8 1 4 40.142 80.285 0.418 3.24 6 185.8 29.9
209 1 2 -7 40.408 80.816 0.421 3.21 6 116.8 11.7
210 2 1 7 40.408 80.816 0.421 3.21 6 67.0 3.9
211 6 6 0 40.699 81.399 0.423 3.17 6 183.9 28.7
212 10 0 -2 40.731 81.463 0.424 3.17 6 166.6 23.5
213 4 6 4 40.828 81.655 0.424 3.16 6 202.0 34.5
214 6 4 -4 40.828 81.655 0.424 3.16 6 206.6 36.1
215 6 0 -6 40.988 81.976 0.426 3.14 6 172.5 25.0
216 6 0 6 40.988 81.976 0.426 3.14 6 219.4 40.4
217 1 10 0 41.383 82.765 0.429 3.1 6 103.2 8.8
218 10 1 0 41.383 82.765 0.429 3.1 6 160.8 21.4
219 5 7 1 41.391 82.781 0.429 3.1 6 68.9 3.9
220 7 5 -1 41.391 82.781 0.429 3.1 6 68.0 3.8
221 2 9 2 41.415 82.829 0.429 3.09 6 144.1 17.2
222 9 2 -2 41.415 82.829 0.429 3.09 6 212.7 37.5
223 4 7 -3 41.455 82.909 0.43 3.09 6 23.0 0.4
224 4 7 3 41.455 82.909 0.43 3.09 6 85.6 6.1
225 7 4 -3 41.455 82.909 0.43 3.09 6 33.5 0.9
226 7 4 3 41.455 82.909 0.43 3.09 6 22.2 0.4
227 3 7 -4 41.511 83.021 0.43 3.09 6 193.7 31.0
228 7 3 4 41.511 83.021 0.43 3.09 6 114.5 10.8
229 4 5 5 41.583 83.165 0.431 3.08 6 107.5 9.5
230 5 4 -5 41.583 83.165 0.431 3.08 6 97.5 7.8
231 2 5 -6 41.67 83.341 0.432 3.07 6 162.1 21.6
232 2 5 6 41.67 83.341 0.432 3.07 6 111.2 10.2
233 5 2 -6 41.67 83.341 0.432 3.07 6 262.8 56.7
234 5 2 6 41.67 83.341 0.432 3.07 6 111.0 10.1
235 1 3 7 41.774 83.549 0.432 3.06 6 55.4 2.5
236 3 1 -7 41.774 83.549 0.432 3.06 6 51.5 2.2
237 4 8 -1 42.072 84.144 0.435 3.03 6 94.7 7.3
238 8 4 1 42.072 84.144 0.435 3.03 6 40.3 1.3
239 8 0 5 42.263 84.526 0.437 3.01 6 103.3 8.6
240 4 0 7 42.455 84.909 0.438 3.0 6 42.8 1.5
241 3 9 0 42.743 85.487 0.441 2.97 6 216.8 37.4
242 9 3 0 42.743 85.487 0.441 2.97 6 132.9 14.1
243 5 7 -2 42.775 85.55 0.441 2.97 6 160.3 20.4
244 7 5 2 42.775 85.55 0.441 2.97 6 75.3 4.5
245 2 7 -5 42.942 85.885 0.442 2.96 6 67.4 3.6
246 7 2 5 42.942 85.885 0.442 2.96 6 51.7 2.1
247 2 3 -7 43.133 86.267 0.444 2.94 6 44.1 1.5
248 3 2 7 43.133 86.267 0.444 2.94 6 104.2 8.6
249 4 8 2 43.453 86.907 0.446 2.92 6 114.6 10.3
250 8 4 -2 43.453 86.907 0.446 2.92 6 141.6 15.7
251 4 4 -6 43.708 87.416 0.449 2.9 6 113.3 10.0
252 4 4 6 43.708 87.416 0.449 2.9 6 131.7 13.5
253 11 0 -1 44.107 88.214 0.452 2.88 6 27.7 0.6
254 1 9 4 44.226 88.452 0.453 2.87 6 149.8 17.2
255 5 6 -4 44.226 88.452 0.453 2.87 6 113.7 9.9
256 6 5 4 44.226 88.452 0.453 2.87 6 208.4 33.4
257 9 1 -4 44.226 88.452 0.453 2.87 6 103.5 8.2
258 1 8 5 44.298 88.595 0.453 2.87 6 15.5 0.2
259 8 1 -5 44.298 88.595 0.453 2.87 6 61.9 2.9
260 5 0 -7 44.488 88.976 0.455 2.86 6 27.9 0.6
261 2 10 1 44.784 89.568 0.457 2.84 6 34.6 0.9
262 10 2 -1 44.784 89.568 0.457 2.84 6 74.8 4.3
263 6 6 -3 44.847 89.695 0.458 2.84 6 42.9 1.4
264 6 6 3 44.847 89.695 0.458 2.84 6 38.5 1.1
265 4 6 -5 44.974 89.949 0.459 2.83 6 45.9 1.6
266 6 4 5 44.974 89.949 0.459 2.83 6 54.5 2.3
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 1 1 0 6.239 12.479 7.0875 5698.9 100.0 100.0 5.6
2 1 0 1 6.276 12.552 7.04629 1027.0 18.0 18.0 5.6
3 2 0 1 8.867 17.735 4.99699 169.9 3.0 3.0 5.6
4 3 0 0 10.85 21.7 4.09197 1621.5 28.5 28.3 5.6
5 1 0 2 10.936 21.872 4.06034 764.6 13.4 13.3 5.6
6 2 2 0 12.554 25.108 3.54375 422.2 7.4 7.3 5.6
7 2 0 2 12.629 25.258 3.52314 1375.7 24.1 23.9 5.6
8 1 3 1 14.082 28.163 3.16591 203.8 3.6 3.5 5.6
9 1 2 2 14.132 28.264 3.15486 2227.3 39.1 38.7 5.6
10 4 1 0 16.711 33.422 2.67882 1716.5 30.1 29.7 5.7
11 3 1 2 16.769 33.537 2.66989 836.1 14.7 14.4 5.7
12 1 1 3 16.84 33.681 2.65885 88.4 1.6 1.5 5.7
13 3 3 0 19.029 38.058 2.3625 599.9 10.5 10.3 5.7
14 2 3 2 19.08 38.161 2.35636 1906.3 33.5 32.8 5.7
15 3 0 3 19.144 38.289 2.34876 264.9 4.6 4.6 5.7
16 2 4 1 20.114 40.227 2.23995 150.2 2.6 2.6 5.7
17 2 2 3 20.212 40.423 2.22953 104.1 1.8 1.8 5.7
18 5 0 2 21.175 42.351 2.13242 219.3 3.8 3.8 5.7
19 1 0 4 21.316 42.633 2.11896 457.5 8.0 7.8 5.7
20 6 0 0 22.116 44.232 2.04598 115.4 2.0 2.0 5.7
21 2 4 2 22.162 44.323 2.042 757.7 13.3 13.0 5.7
22 2 0 4 22.298 44.595 2.03017 231.4 4.1 4.0 5.7
23 2 5 0 23.07 46.14 1.96572 359.8 6.3 6.1 5.7
24 5 1 2 23.114 46.228 1.96218 624.8 11.0 10.7 5.7
25 2 1 4 23.246 46.491 1.95168 348.6 6.1 5.9 5.7
26 4 3 2 24.934 49.869 1.82713 301.2 5.3 5.1 5.7
27 3 1 4 25.059 50.117 1.81864 306.5 5.4 5.2 5.7
28 4 4 0 25.768 51.536 1.77188 301.2 5.3 5.1 5.8
29 4 0 4 25.93 51.859 1.76157 305.1 5.4 5.2 5.8
30 1 6 2 26.662 53.324 1.7166 321.7 5.6 5.4 5.8
31 2 3 4 26.78 53.561 1.70956 226.0 4.0 3.8 5.8
32 7 1 0 28.277 56.554 1.62598 247.7 4.3 4.2 5.8
33 7 0 2 28.315 56.63 1.62398 142.5 2.5 2.4 5.8
34 2 5 3 28.362 56.725 1.62149 60.7 1.1 1.0 5.8
35 5 0 4 28.429 56.858 1.61801 60.2 1.1 1.0 5.8
36 2 6 2 29.118 58.236 1.58296 238.7 4.2 4.0 5.8
37 4 2 4 29.23 58.46 1.57743 79.3 1.4 1.3 5.8
38 3 6 0 29.87 59.741 1.54662 138.4 2.4 2.3 5.8
39 5 1 4 30.017 60.035 1.53975 110.6 1.9 1.9 5.8
40 4 3 4 31.557 63.113 1.47185 163.7 2.9 2.7 5.9
41 5 5 0 32.916 65.832 1.4175 78.2 1.4 1.3 5.9
42 2 7 2 32.951 65.901 1.41617 136.8 2.4 2.3 5.9
43 6 1 4 33.055 66.11 1.41221 92.5 1.6 1.5 5.9
44 1 1 6 33.228 66.457 1.40568 103.2 1.8 1.7 5.9
45 1 8 2 34.417 68.835 1.36281 86.8 1.5 1.4 5.9
46 3 5 4 34.519 69.039 1.35927 193.8 3.4 3.2 5.9
47 3 0 6 34.689 69.378 1.35345 90.6 1.6 1.5 5.9
48 8 2 0 35.106 70.212 1.33941 65.6 1.2 1.1 5.9
49 6 4 2 35.14 70.279 1.33829 101.3 1.8 1.7 5.9
50 2 6 4 35.241 70.481 1.33494 65.2 1.1 1.1 5.9
51 2 2 6 35.409 70.818 1.32942 95.9 1.7 1.6 5.9
52 3 7 2 35.855 71.711 1.31505 87.2 1.5 1.4 5.9
53 7 4 0 37.237 74.474 1.27295 128.2 2.2 2.1 6.0
54 5 4 4 37.369 74.737 1.26912 74.6 1.3 1.2 6.0
55 4 1 6 37.533 75.066 1.26437 137.7 2.4 2.2 6.0
56 9 1 2 38.665 77.331 1.2329 144.1 2.5 2.3 6.0
57 7 2 4 38.763 77.526 1.23028 57.9 1.0 0.9 6.0
58 8 3 2 40.046 80.092 1.1972 60.9 1.1 1.0 6.0
59 1 8 4 40.142 80.285 1.19481 68.7 1.2 1.1 6.0
60 6 4 4 40.828 81.655 1.17818 70.5 1.2 1.1 6.1
61 6 0 6 40.988 81.976 1.17438 65.4 1.1 1.1 6.1
62 5 2 6 41.67 83.341 1.15858 98.6 1.7 1.6 6.1
63 6 5 4 44.226 88.452 1.10436 68.7 1.2 1.1 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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