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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MATHIASITE
1, s-senaite, DN
(K,Na,Ba,Sr)Ti(12)(Ti,Cr,Mg,Fe,Zr,Ca,V)(9)O(38)
Rhombohedral * R3(-) Z = 1
R =0.054 NR =892
13 .10 .1992
Ref.Str.:
Gatehouse B.M., Grey I.E., Smith J.R. (1983)
* Acta Cryst., C 39, 421-422
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.119 alpha = 69.24
b = 9.119 beta = 69.24
c = 9.119 gamma = 69.24
Unit cell volume (cub. angs.) = 639.92
Molar volume ( cub.cm/mol.) = 385.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.24 K = 0.62, Na = 0.14, Ba = 0.24
2 0.5 0.5 0.5 0.26 Zr = 0.7 , Ca = 0.3
3 0.3111 0.3111 0.3111 0.36 Mg = 0.45, Fe = 0.45
4 0.3479 0.1227 0.0232 0.58 Cr = 0.67, Fe = 0.22, V = 0.11
5 0.3071 0.7208 0.1457 0.38 Ti = 1.00
6 0.4754 0.0832 0.6386 0.38 Ti = 1.00
7 0.3692 0.3692 0.3692 2.23 Mg = 0.2 , Mg = 0.0
8 0.3084 0.6261 0.382 0.52 O = 1.00
9 0.1553 0.2394 0.9392 0.52 O = 1.00
10 0.9218 0.4583 0.2979 0.52 O = 1.00
11 0.1424 0.5175 0.9902 0.52 O = 1.00
12 0.3901 0.4879 0.1343 0.37 O = 1.00
13 0.7043 0.2434 0.0743 0.42 O = 1.00
14 0.2133 0.2133 0.2133 0.45 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.5 0.5 0.5
3 3 0.3111 0.3111 0.3111
4 4 0.3479 0.1227 0.0232
5 5 0.3071 0.7208 0.1457
6 6 0.4754 0.0832 0.6386
7 7 0.3692 0.3692 0.3692
8 8 0.3084 0.6261 0.382
9 9 0.1553 0.2394 0.9392
10 10 0.9218 0.4583 0.2979
11 11 0.1424 0.5175 0.9902
12 12 0.3901 0.4879 0.1343
13 13 0.7043 0.2434 0.0743
14 14 0.2133 0.2133 0.2133
15 4 0.1227 0.0232 0.3479
16 4 0.0232 0.3479 0.1227
17 5 0.7208 0.1457 0.3071
18 5 0.1457 0.3071 0.7208
19 6 0.0832 0.6386 0.4754
20 6 0.6386 0.4754 0.0832
21 8 0.6261 0.382 0.3084
22 8 0.382 0.3084 0.6261
23 9 0.2394 0.9392 0.1553
24 9 0.9392 0.1553 0.2394
25 10 0.4583 0.2979 0.9218
26 10 0.2979 0.9218 0.4583
27 11 0.5175 0.9902 0.1424
28 11 0.9902 0.1424 0.5175
29 12 0.4879 0.1343 0.3901
30 12 0.1343 0.3901 0.4879
31 13 0.2434 0.0743 0.7043
32 13 0.0743 0.7043 0.2434
33 3 0.6889 0.6889 0.6889
34 4 0.6521 0.8773 0.9768
35 5 0.6929 0.2792 0.8543
36 6 0.5246 0.9168 0.3614
37 7 0.6308 0.6308 0.6308
38 8 0.6916 0.3739 0.618
39 9 0.8447 0.7606 0.0608
40 10 0.0782 0.5417 0.7021
41 11 0.8576 0.4825 0.0098
42 12 0.6099 0.5121 0.8657
43 13 0.2957 0.7566 0.9257
44 14 0.7867 0.7867 0.7867
45 4 0.8773 0.9768 0.6521
46 4 0.9768 0.6521 0.8773
47 5 0.2792 0.8543 0.6929
48 5 0.8543 0.6929 0.2792
49 6 0.9168 0.3614 0.5246
50 6 0.3614 0.5246 0.9168
51 8 0.3739 0.618 0.6916
52 8 0.618 0.6916 0.3739
53 9 0.7606 0.0608 0.8447
54 9 0.0608 0.8447 0.7606
55 10 0.5417 0.7021 0.0782
56 10 0.7021 0.0782 0.5417
57 11 0.4825 0.0098 0.8576
58 11 0.0098 0.8576 0.4825
59 12 0.5121 0.8657 0.6099
60 12 0.8657 0.6099 0.5121
61 13 0.7566 0.9257 0.2957
62 13 0.9257 0.2957 0.7566
X-ray density (g/cm cub.) = 4.45
MU (1/cm) = 657.996 Mass attenuation coefficient (cm**2/g) = 147.707
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,Na ,Ba 3.288 12
2.8028 9
2.8609 13
2.8028 9
2.8028 9
2.8609 13
2.8609 13
2.8028 9
2.8609 13
2.8028 9
2.8028 9
2.8609 13
2.8609 13
2 Zr ,Ca 2.88 6
2.1364 8
2.1364 8
2.1364 8
2.1364 8
2.1364 8
2.1364 8
3 Mg ,Fe 2.592 4
1.9685 12
2.0193 14
1.9685 12
1.9685 12
4 Cr ,Fe ,V 2.628 6
1.9634 9
1.9956 14
2.0322 9
1.9632 10
1.9923 11
1.9337 11
5 Ti 2.568 6
2.0201 8
2.0138 12
1.8892 9
2.0282 13
1.9498 13
1.9665 10
6 Ti 2.568 6
1.9023 8
2.1145 12
2.0075 13
1.9296 10
1.8852 11
1.9874 12
7 Mg ,Mg 2.52 6
2.2442 8
2.0024 12
2.2442 8
2.2442 8
2.0024 12
2.0024 12
8 O 3.264 12
2.7212 12
2.9846 8
2.9846 8
2.8785 9
2.9773 10
2.819 12
2.6187 13
2.9544 10
3.0577 8
3.0577 8
2.8613 10
2.8702 11
9 O 3.264 11
2.6921 11
2.6477 14
2.8785 8
2.7793 9
2.7793 9
2.9357 10
2.7766 13
2.8717 10
2.8644 11
2.9903 11
2.9195 13
10 O 3.264 12
2.8117 11
2.8654 14
2.9773 8
2.9357 9
2.867 11
2.8117 12
2.8538 13
2.9544 8
2.8717 9
2.8074 11
2.8613 8
2.587 12
11 O 3.264 12
2.6921 9
2.8117 10
2.8848 12
2.8129 14
2.867 10
3.1049 13
2.8644 9
2.8074 10
2.664 11
2.779 13
2.8702 8
2.9903 9
12 O 3.264 10
2.7212 8
2.8848 11
2.9504 13
3.1857 14
2.819 8
2.8117 10
2.917 13
2.5526 12
2.5932 13
2.587 10
13 O 3.264 11
2.9504 12
2.6187 8
2.7766 9
2.8538 10
3.1049 11
2.917 12
2.779 11
2.5932 12
2.9195 9
2.8729 13
2.8729 13
14 O 3.264 12
2.6477 9
2.8654 10
2.8129 11
3.1857 12
2.6477 9
2.6477 9
2.8654 10
2.8654 10
2.8129 11
2.8129 11
3.1857 12
3.1857 12
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 5.371 10.741 0.061 225.33 6 3.5 4.1
2 1 1 1 6.426 12.852 0.073 156.71 2 17.9 24.5
3 1 1 0 6.531 13.061 0.074 151.65 6 7.1 11.2
4 1 -1 0 8.55 17.101 0.097 87.54 6 1.0 0.1
5 2 1 1 9.913 19.826 0.112 64.57 6 46.1 201.3
6 1 -1 1 10.119 20.237 0.114 61.88 6 14.5 19.0
7 1 2 0 10.725 21.45 0.121 54.85 6 54.1 235.6
8 2 1 0 10.725 21.45 0.121 54.85 6 43.8 154.1
9 2 0 0 10.789 21.578 0.122 54.17 6 32.8 85.2
10 1 2 2 11.849 23.698 0.133 44.55 6 56.6 209.5
11 2 2 2 12.935 25.869 0.145 37.06 2 32.5 19.2
12 2 2 0 13.148 26.296 0.148 35.8 6 133.5 934.9
13 1 -2 0 13.306 26.613 0.149 34.9 6 34.4 60.3
14 2 -1 0 13.306 26.613 0.149 34.9 6 5.3 1.4
15 2 -1 1 13.831 27.662 0.155 32.16 6 4.9 1.1
16 2 1 -1 13.831 27.662 0.155 32.16 6 35.1 58.2
17 3 1 1 14.685 29.371 0.165 28.3 6 150.2 936.1
18 -2 1 1 14.923 29.846 0.167 27.35 6 92.6 343.8
19 1 2 3 15.588 31.176 0.174 24.9 6 142.0 735.4
20 3 2 1 15.588 31.176 0.174 24.9 6 118.8 515.1
21 1 3 0 15.768 31.537 0.176 24.29 6 146.7 765.5
22 3 1 0 15.768 31.537 0.176 24.29 6 76.0 205.8
23 3 2 2 15.955 31.911 0.178 23.68 6 41.7 60.3
24 -1 2 2 16.307 32.615 0.182 22.59 6 81.8 221.6
25 3 0 0 16.307 32.615 0.182 22.59 6 73.6 179.4
26 2 3 0 17.091 34.183 0.191 20.4 6 65.8 129.6
27 3 2 0 17.091 34.183 0.191 20.4 6 120.6 434.6
28 2 -2 0 17.299 34.598 0.193 19.87 6 57.7 97.0
29 2 3 3 18.092 36.185 0.202 18.01 6 3.2 0.3
30 1 -2 2 18.164 36.329 0.202 17.86 6 33.0 28.6
31 1 2 -2 18.164 36.329 0.202 17.86 6 179.0 838.3
32 1 3 3 18.211 36.423 0.203 17.76 6 23.5 14.4
33 3 -1 1 18.525 37.051 0.206 17.1 6 65.4 107.3
34 3 1 -1 18.525 37.051 0.206 17.1 6 67.7 115.0
35 1 -3 0 18.564 37.129 0.207 17.02 6 104.7 273.6
36 3 -1 0 18.564 37.129 0.207 17.02 6 15.5 6.0
37 3 3 3 19.619 39.237 0.218 15.07 2 80.8 48.0
38 3 3 0 19.95 39.901 0.221 14.52 6 1.5 0.1
39 4 1 1 19.95 39.901 0.221 14.52 6 24.9 13.2
40 -1 2 3 20.096 40.193 0.223 14.28 6 145.9 445.3
41 3 2 -1 20.096 40.193 0.223 14.28 6 110.6 255.9
42 4 2 2 20.139 40.279 0.223 14.21 6 3.8 0.3
43 -3 1 1 20.205 40.41 0.224 14.11 6 4.8 0.5
44 1 2 4 20.248 40.496 0.225 14.04 6 33.7 23.4
45 4 2 1 20.248 40.496 0.225 14.04 6 28.6 16.8
46 2 -2 2 20.571 41.143 0.228 13.56 6 1.3 0.0
47 1 4 0 21.184 42.368 0.235 12.7 6 86.4 138.7
48 4 1 0 21.184 42.368 0.235 12.7 6 199.2 738.2
49 2 3 4 21.543 43.086 0.238 12.23 6 46.1 38.1
50 4 3 2 21.543 43.086 0.238 12.23 6 31.8 18.1
51 2 4 0 21.851 43.702 0.242 11.84 6 4.3 0.3
52 4 2 0 21.851 43.702 0.242 11.84 6 4.3 0.3
53 4 0 0 21.986 43.973 0.243 11.68 6 3.0 0.2
54 1 3 4 22.027 44.053 0.243 11.63 6 18.3 5.7
55 4 3 1 22.027 44.053 0.243 11.63 6 44.4 33.5
56 2 -3 0 22.088 44.175 0.244 11.56 6 0.0 0.0
57 3 -2 0 22.088 44.175 0.244 11.56 6 1.1 0.0
58 1 -2 3 22.429 44.858 0.248 11.17 6 39.7 25.8
59 3 -2 1 22.429 44.858 0.248 11.17 6 20.4 6.8
60 4 3 3 22.508 45.016 0.248 11.08 6 33.3 18.0
61 -1 3 3 23.002 46.003 0.254 10.55 6 26.4 10.8
62 -3 2 1 23.164 46.329 0.255 10.38 6 62.4 59.2
63 1 2 -3 23.164 46.329 0.255 10.38 6 39.5 23.8
64 4 -1 1 23.755 47.51 0.261 9.8 6 98.0 137.9
65 4 1 -1 23.755 47.51 0.261 9.8 6 15.2 3.3
66 3 4 0 23.888 47.776 0.263 9.68 6 129.0 236.0
67 4 3 0 23.888 47.776 0.263 9.68 6 29.6 12.4
68 1 -4 0 24.141 48.282 0.265 9.45 6 40.0 22.2
69 3 -2 2 24.141 48.282 0.265 9.45 6 29.2 11.8
70 3 2 -2 24.141 48.282 0.265 9.45 6 42.1 24.5
71 4 -1 0 24.141 48.282 0.265 9.45 6 16.4 3.7
72 2 4 4 24.247 48.494 0.267 9.36 6 50.6 35.1
73 -1 2 4 24.714 49.428 0.271 8.96 6 3.5 0.2
74 4 2 -1 24.714 49.428 0.271 8.96 6 133.2 233.0
75 3 4 4 24.787 49.575 0.272 8.9 6 22.4 6.5
76 1 4 4 25.033 50.066 0.275 8.7 6 12.5 2.0
77 5 2 2 25.033 50.066 0.275 8.7 6 19.5 4.8
78 1 2 5 25.465 50.93 0.279 8.37 6 16.6 3.4
79 5 2 1 25.465 50.93 0.279 8.37 6 253.9 790.4
80 -3 2 2 25.52 51.039 0.28 8.33 6 26.4 8.5
81 5 1 1 25.556 51.111 0.28 8.3 6 18.9 4.4
82 -4 1 1 25.826 51.652 0.283 8.11 6 14.7 2.6
83 2 3 5 25.897 51.794 0.284 8.06 6 14.9 2.6
84 5 3 2 25.897 51.794 0.284 8.06 6 92.3 100.5
85 5 3 3 26.413 52.825 0.289 7.7 6 7.0 0.6
86 3 -3 0 26.49 52.98 0.29 7.65 6 9.6 1.0
87 4 4 4 26.595 53.189 0.291 7.58 2 107.5 42.8
88 1 3 5 26.648 53.295 0.291 7.55 6 4.6 0.2
89 5 3 1 26.648 53.295 0.291 7.55 6 1.4 0.0
90 -1 3 4 26.91 53.821 0.294 7.38 6 17.4 3.3
91 1 5 0 26.91 53.821 0.294 7.38 6 118.5 151.9
92 4 3 -1 26.91 53.821 0.294 7.38 6 125.0 168.9
93 5 1 0 26.91 53.821 0.294 7.38 6 41.8 18.9
94 -2 3 3 27.027 54.053 0.295 7.31 6 74.7 59.7
95 4 4 0 27.061 54.122 0.295 7.29 6 22.0 5.1
96 1 -3 3 27.114 54.227 0.296 7.26 6 59.8 38.0
97 1 3 -3 27.114 54.227 0.296 7.26 6 4.6 0.2
98 2 5 0 27.148 54.296 0.296 7.24 6 51.6 28.2
99 5 2 0 27.148 54.296 0.296 7.24 6 34.6 12.7
100 1 -2 4 27.379 54.757 0.299 7.1 6 22.5 5.3
101 4 -2 1 27.379 54.757 0.299 7.1 6 11.0 1.2
102 2 -4 0 27.407 54.815 0.299 7.08 6 4.9 0.2
103 4 -2 0 27.407 54.815 0.299 7.08 6 1.2 0.0
104 5 0 0 27.903 55.807 0.304 6.8 6 126.4 159.2
105 2 4 5 27.971 55.942 0.304 6.76 6 8.1 0.7
106 5 4 2 27.971 55.942 0.304 6.76 6 22.6 5.1
107 3 4 5 28.146 56.292 0.306 6.67 6 45.5 20.2
108 5 4 3 28.146 56.292 0.306 6.67 6 37.9 14.0
109 4 -2 2 28.562 57.124 0.31 6.45 6 88.7 74.3
110 4 2 -2 28.562 57.124 0.31 6.45 6 74.2 52.1
111 3 5 0 28.595 57.19 0.311 6.43 6 25.6 6.2
112 5 3 0 28.595 57.19 0.311 6.43 6 21.7 4.4
113 -4 2 1 28.646 57.292 0.311 6.41 6 37.7 13.3
114 1 2 -4 28.646 57.292 0.311 6.41 6 2.6 0.1
115 2 -3 3 28.929 57.858 0.314 6.26 6 9.6 0.8
116 2 3 -3 28.929 57.858 0.314 6.26 6 37.1 12.6
117 1 4 5 28.995 57.99 0.315 6.23 6 319.8 933.9
118 5 4 1 28.995 57.99 0.315 6.23 6 45.5 18.9
119 5 -1 1 29.409 58.817 0.319 6.04 6 81.9 59.3
120 5 1 -1 29.409 58.817 0.319 6.04 6 84.7 63.4
121 5 4 4 29.506 59.013 0.32 5.99 6 36.0 11.4
122 -1 2 5 29.937 59.875 0.324 5.8 6 100.3 85.5
123 5 2 -1 29.937 59.875 0.324 5.8 6 79.9 54.3
124 1 -5 0 30.046 60.092 0.325 5.75 6 93.0 72.9
125 5 -1 0 30.046 60.092 0.325 5.75 6 65.8 36.5
126 -1 4 4 30.159 60.318 0.326 5.71 6 12.3 1.3
127 6 2 2 30.466 60.932 0.329 5.58 6 51.9 22.0
128 -2 3 4 30.867 61.734 0.333 5.42 6 58.7 27.3
129 4 3 -2 30.867 61.734 0.333 5.42 6 61.5 30.0
130 2 3 6 30.931 61.861 0.334 5.39 6 15.1 1.8
131 6 3 2 30.931 61.861 0.334 5.39 6 218.2 376.3
132 3 5 5 30.962 61.924 0.334 5.38 6 9.4 0.7
133 -4 2 2 31.0 62.001 0.334 5.37 6 36.1 10.2
134 2 5 5 31.095 62.19 0.335 5.33 6 9.4 0.7
135 6 3 3 31.095 62.19 0.335 5.33 6 10.3 0.8
136 1 2 6 31.143 62.286 0.336 5.31 6 4.0 0.1
137 4 5 0 31.143 62.286 0.336 5.31 6 24.4 4.6
138 5 4 0 31.143 62.286 0.336 5.31 6 13.5 1.4
139 6 2 1 31.143 62.286 0.336 5.31 6 29.4 6.7
140 6 1 1 31.518 63.036 0.339 5.17 6 32.5 8.0
141 3 -4 0 31.566 63.132 0.34 5.16 6 12.4 1.2
142 4 -3 0 31.566 63.132 0.34 5.16 6 16.7 2.1
143 -1 3 5 31.597 63.194 0.34 5.15 6 24.9 4.7
144 5 3 -1 31.597 63.194 0.34 5.15 6 44.5 14.9
145 -5 1 1 31.807 63.614 0.342 5.07 6 75.2 42.0
146 3 -3 3 31.807 63.614 0.342 5.07 6 19.6 2.9
147 1 -3 4 31.833 63.667 0.342 5.06 6 9.7 0.7
148 4 -3 1 31.833 63.667 0.342 5.06 6 73.2 39.7
149 1 3 6 31.896 63.791 0.343 5.04 6 26.8 5.3
150 6 3 1 31.896 63.791 0.343 5.04 6 49.5 18.1
151 4 5 5 31.958 63.916 0.344 5.02 6 13.7 1.4
152 1 5 5 32.349 64.697 0.347 4.89 6 1.4 0.0
153 3 4 6 32.379 64.759 0.348 4.88 6 79.2 44.8
154 6 4 3 32.379 64.759 0.348 4.88 6 74.6 39.8
155 -4 3 1 32.417 64.834 0.348 4.87 6 369.9 976.0
156 1 3 -4 32.417 64.834 0.348 4.87 6 84.7 51.2
157 2 4 6 32.509 65.018 0.349 4.84 6 0.5 0.0
158 6 4 2 32.509 65.018 0.349 4.84 6 25.4 4.6
159 1 -2 5 32.892 65.783 0.353 4.72 6 102.8 73.1
160 5 -2 1 32.892 65.783 0.353 4.72 6 12.2 1.0
161 2 6 0 32.922 65.845 0.353 4.71 6 29.2 5.9
162 6 2 0 32.922 65.845 0.353 4.71 6 2.2 0.0
163 1 6 0 32.999 65.999 0.354 4.68 6 41.0 11.5
164 6 1 0 32.999 65.999 0.354 4.68 6 17.9 2.2
165 2 -5 0 33.205 66.409 0.355 4.62 6 68.5 31.8
166 2 -3 4 33.205 66.409 0.355 4.62 6 19.1 2.5
167 4 -3 2 33.205 66.409 0.355 4.62 6 65.3 28.9
168 5 -2 0 33.205 66.409 0.355 4.62 6 15.9 1.7
169 6 4 4 33.352 66.704 0.357 4.58 6 100.1 67.2
170 5 -2 2 33.674 67.348 0.36 4.49 6 99.5 65.1
171 5 2 -2 33.674 67.348 0.36 4.49 6 38.3 9.6
172 1 4 6 33.734 67.469 0.36 4.47 6 27.3 4.9
173 6 4 1 33.734 67.469 0.36 4.47 6 19.8 2.6
174 3 6 0 33.937 67.875 0.362 4.42 6 43.2 12.1
175 6 3 0 33.937 67.875 0.362 4.42 6 28.0 5.1
176 5 5 5 34.028 68.055 0.363 4.39 2 18.8 0.8
177 -2 4 4 34.165 68.33 0.365 4.35 6 116.9 87.2
178 6 0 0 34.165 68.33 0.365 4.35 6 99.3 62.9
179 -1 4 5 34.296 68.592 0.366 4.32 6 31.9 6.4
180 5 4 -1 34.296 68.592 0.366 4.32 6 16.9 1.8
181 -4 3 2 34.342 68.684 0.366 4.31 6 19.1 2.3
182 2 3 -4 34.342 68.684 0.366 4.31 6 18.6 2.2
183 -5 2 1 34.598 69.196 0.369 4.24 6 0.8 0.0
184 1 2 -5 34.598 69.196 0.369 4.24 6 18.1 2.0
185 5 5 0 34.658 69.316 0.369 4.23 6 12.8 1.0
186 3 5 6 34.717 69.435 0.37 4.21 6 70.4 30.6
187 6 5 3 34.717 69.435 0.37 4.21 6 77.7 37.3
188 2 5 6 35.122 70.245 0.373 4.12 6 108.8 71.4
189 6 5 2 35.122 70.245 0.373 4.12 6 59.6 21.4
190 4 5 6 35.381 70.762 0.376 4.06 6 108.2 69.6
191 6 5 4 35.381 70.762 0.376 4.06 6 43.4 11.2
192 -2 3 5 35.516 71.032 0.377 4.03 6 48.0 13.6
193 5 3 -2 35.516 71.032 0.377 4.03 6 19.2 2.2
194 6 -1 1 35.516 71.032 0.377 4.03 6 21.9 2.8
195 6 1 -1 35.516 71.032 0.377 4.03 6 22.8 3.1
196 4 -3 3 35.615 71.23 0.378 4.0 6 43.5 11.1
197 4 3 -3 35.615 71.23 0.378 4.0 6 5.6 0.2
198 -1 2 6 35.719 71.438 0.379 3.98 6 44.3 11.4
199 6 2 -1 35.719 71.438 0.379 3.98 6 52.8 16.3
200 4 6 0 36.0 72.001 0.382 3.92 6 22.9 3.0
201 6 4 0 36.0 72.001 0.382 3.92 6 61.1 21.4
202 1 -6 0 36.37 72.74 0.385 3.84 6 52.8 15.7
203 6 -1 0 36.37 72.74 0.385 3.84 6 12.1 0.8
204 7 2 2 36.428 72.856 0.385 3.83 6 16.4 1.5
205 7 3 3 36.457 72.915 0.386 3.83 6 42.7 10.2
206 4 -4 0 36.493 72.985 0.386 3.82 6 26.0 3.8
207 1 5 6 36.58 73.16 0.387 3.8 6 17.5 1.7
208 2 3 7 36.58 73.16 0.387 3.8 6 54.0 16.2
209 6 5 1 36.58 73.16 0.387 3.8 6 62.8 21.9
210 7 3 2 36.58 73.16 0.387 3.8 6 10.0 0.6
211 -1 3 6 36.972 73.944 0.39 3.73 6 10.1 0.6
212 6 3 -1 36.972 73.944 0.39 3.73 6 15.5 1.3
213 -5 2 2 37.016 74.032 0.391 3.72 6 27.4 4.1
214 1 -4 4 37.016 74.032 0.391 3.72 6 16.2 1.4
215 1 4 -4 37.016 74.032 0.391 3.72 6 4.3 0.1
216 6 5 5 37.088 74.176 0.391 3.7 6 9.6 0.5
217 1 -3 5 37.24 74.481 0.393 3.68 6 9.3 0.5
218 5 -3 1 37.24 74.481 0.393 3.68 6 23.7 3.0
219 -4 3 3 37.265 74.529 0.393 3.67 6 15.6 1.3
220 3 -5 0 37.265 74.529 0.393 3.67 6 5.3 0.1
221 5 -3 0 37.265 74.529 0.393 3.67 6 4.9 0.1
222 1 2 7 37.323 74.645 0.394 3.66 6 34.6 6.4
223 7 2 1 37.323 74.645 0.394 3.66 6 12.8 0.9
224 3 4 7 37.38 74.761 0.394 3.65 6 52.1 14.5
225 7 4 3 37.38 74.761 0.394 3.65 6 53.6 15.4
226 1 3 7 37.745 75.49 0.397 3.59 6 25.6 3.4
227 7 3 1 37.745 75.49 0.397 3.59 6 13.3 0.9
228 2 4 7 37.774 75.547 0.398 3.58 6 13.6 1.0
229 7 4 2 37.774 75.547 0.398 3.58 6 29.5 4.6
230 -1 5 5 37.939 75.877 0.399 3.55 6 1.4 0.0
231 7 1 1 37.939 75.877 0.399 3.55 6 7.4 0.3
232 3 6 6 38.025 76.05 0.4 3.54 6 40.5 8.5
233 7 4 4 38.025 76.05 0.4 3.54 6 48.3 12.1
234 -6 1 1 38.253 76.506 0.402 3.5 6 60.3 18.6
235 2 -3 5 38.253 76.506 0.402 3.5 6 20.1 2.1
236 5 -3 2 38.253 76.506 0.402 3.5 6 26.7 3.6
237 -5 3 1 38.325 76.651 0.403 3.49 6 35.5 6.5
238 1 3 -5 38.325 76.651 0.403 3.49 6 118.5 71.9
239 -2 4 5 38.354 76.708 0.403 3.49 6 12.6 0.8
240 5 4 -2 38.354 76.708 0.403 3.49 6 22.0 2.5
241 4 6 6 38.396 76.793 0.403 3.48 6 65.0 21.5
242 2 -4 4 38.571 77.142 0.405 3.45 6 13.9 1.0
243 2 4 -4 38.571 77.142 0.405 3.45 6 67.7 23.2
244 2 6 6 38.685 77.371 0.406 3.44 6 14.1 1.0
245 -3 4 4 38.989 77.978 0.408 3.39 6 94.4 44.3
246 1 -2 6 38.989 77.978 0.408 3.39 6 21.9 2.4
247 6 -2 1 38.989 77.978 0.408 3.39 6 5.0 0.1
248 5 6 0 39.046 78.092 0.409 3.38 6 20.8 2.2
249 6 5 0 39.046 78.092 0.409 3.38 6 18.5 1.7
250 1 4 7 39.194 78.389 0.41 3.36 6 31.5 4.9
251 7 4 1 39.194 78.389 0.41 3.36 6 36.0 6.4
252 -1 4 6 39.238 78.476 0.411 3.36 6 48.8 11.7
253 2 7 0 39.238 78.476 0.411 3.36 6 68.5 23.1
254 6 4 -1 39.238 78.476 0.411 3.36 6 68.4 23.0
255 7 2 0 39.238 78.476 0.411 3.36 6 47.0 10.9
256 3 5 7 39.323 78.646 0.411 3.34 6 36.5 6.5
257 7 5 3 39.323 78.646 0.411 3.34 6 30.0 4.4
258 6 -2 2 39.453 78.907 0.412 3.33 6 54.9 14.7
259 6 2 -2 39.453 78.907 0.412 3.33 6 75.7 27.9
260 2 -6 0 39.549 79.098 0.413 3.31 6 75.0 27.3
261 6 -2 0 39.549 79.098 0.413 3.31 6 22.8 2.5
262 1 7 0 39.577 79.155 0.414 3.31 6 2.7 0.0
263 7 1 0 39.577 79.155 0.414 3.31 6 3.0 0.0
264 4 5 7 39.691 79.382 0.415 3.29 6 93.1 41.8
265 7 5 4 39.691 79.382 0.415 3.29 6 8.8 0.4
266 5 6 6 39.791 79.582 0.415 3.28 6 1.2 0.0
267 3 7 0 39.921 79.841 0.417 3.26 6 47.1 10.6
268 7 3 0 39.921 79.841 0.417 3.26 6 46.7 10.4
269 2 5 7 39.977 79.955 0.417 3.26 6 3.0 0.0
270 7 5 2 39.977 79.955 0.417 3.26 6 89.1 37.9
271 5 -3 3 40.278 80.556 0.42 3.22 6 100.1 47.2
272 5 3 -3 40.278 80.556 0.42 3.22 6 12.7 0.8
273 1 6 6 40.363 80.726 0.42 3.21 6 8.3 0.3
274 -5 3 2 40.397 80.794 0.421 3.21 6 9.3 0.4
275 2 3 -5 40.397 80.794 0.421 3.21 6 37.4 6.6
276 -2 3 6 40.933 81.866 0.425 3.15 6 17.3 1.4
277 6 3 -2 40.933 81.866 0.425 3.15 6 15.0 1.0
278 7 0 0 40.933 81.866 0.425 3.15 6 1.6 0.0
279 7 5 5 41.074 82.148 0.426 3.13 6 18.7 1.6
280 -6 2 1 41.123 82.245 0.427 3.12 6 12.1 0.7
281 1 2 -6 41.123 82.245 0.427 3.12 6 36.6 6.1
282 3 -4 4 41.123 82.245 0.427 3.12 6 48.5 10.8
283 3 4 -4 41.123 82.245 0.427 3.12 6 18.0 1.5
284 4 7 0 41.614 83.228 0.431 3.07 6 32.3 4.7
285 7 4 0 41.614 83.228 0.431 3.07 6 5.3 0.1
286 1 5 7 41.642 83.284 0.431 3.07 6 63.6 18.2
287 7 5 1 41.642 83.284 0.431 3.07 6 50.9 11.6
288 -2 5 5 42.138 84.276 0.436 3.03 6 22.2 2.2
289 -1 2 7 42.138 84.276 0.436 3.03 6 4.3 0.1
290 7 2 -1 42.138 84.276 0.436 3.03 6 25.1 2.8
291 4 -5 0 42.181 84.362 0.436 3.02 6 24.5 2.7
292 5 -4 0 42.181 84.362 0.436 3.02 6 15.9 1.1
293 6 6 6 42.184 84.368 0.436 3.02 2 235.3 81.7
294 7 -1 1 42.209 84.418 0.436 3.02 6 2.3 0.0
295 7 1 -1 42.209 84.418 0.436 3.02 6 80.4 28.6
296 3 6 7 42.25 84.5 0.436 3.02 6 27.3 3.3
297 7 6 3 42.25 84.5 0.436 3.02 6 87.3 33.6
298 4 6 7 42.349 84.698 0.437 3.01 6 5.3 0.1
299 7 6 4 42.349 84.698 0.437 3.01 6 27.6 3.3
300 1 -4 5 42.421 84.842 0.438 3.0 6 49.7 10.9
301 5 -4 1 42.421 84.842 0.438 3.0 6 1.1 0.0
302 -1 5 6 42.477 84.954 0.438 3.0 6 72.2 22.9
303 6 5 -1 42.477 84.954 0.438 3.0 6 5.2 0.1
304 8 3 3 42.533 85.066 0.439 2.99 6 81.4 29.0
305 2 3 8 42.914 85.829 0.442 2.96 6 41.4 7.5
306 8 3 2 42.914 85.829 0.442 2.96 6 37.6 6.1
307 -5 4 1 42.948 85.897 0.442 2.96 6 15.2 1.0
308 1 4 -5 42.948 85.897 0.442 2.96 6 15.6 1.1
309 6 6 0 43.032 86.064 0.443 2.95 6 35.2 5.4
310 8 2 2 43.032 86.064 0.443 2.95 6 65.8 18.7
311 -1 3 7 43.075 86.15 0.443 2.95 6 36.8 5.9
312 7 3 -1 43.075 86.15 0.443 2.95 6 52.3 11.8
313 2 6 7 43.159 86.317 0.444 2.94 6 8.9 0.3
314 3 4 8 43.159 86.317 0.444 2.94 6 45.0 8.7
315 7 6 2 43.159 86.317 0.444 2.94 6 72.9 22.9
316 8 4 3 43.159 86.317 0.444 2.94 6 4.6 0.1
317 -3 4 5 43.287 86.573 0.445 2.93 6 11.8 0.6
318 1 -7 0 43.287 86.573 0.445 2.93 6 27.6 3.3
319 5 4 -3 43.287 86.573 0.445 2.93 6 62.2 16.6
320 7 -1 0 43.287 86.573 0.445 2.93 6 69.7 20.9
321 1 -3 6 43.381 86.761 0.446 2.93 6 82.3 29.0
322 6 -3 1 43.381 86.761 0.446 2.93 6 67.3 19.4
323 -2 4 6 43.409 86.817 0.446 2.92 6 151.3 98.0
324 6 4 -2 43.409 86.817 0.446 2.92 6 11.6 0.6
325 -5 3 3 43.451 86.902 0.446 2.92 6 25.4 2.8
326 5 6 7 43.454 86.908 0.446 2.92 6 42.3 7.7
327 7 6 5 43.454 86.908 0.446 2.92 6 20.5 1.8
328 8 4 4 43.52 87.041 0.447 2.92 6 15.0 1.0
329 2 -4 5 43.667 87.334 0.448 2.91 6 13.1 0.7
330 3 -6 0 43.667 87.334 0.448 2.91 6 10.1 0.4
331 5 -4 2 43.667 87.334 0.448 2.91 6 26.3 2.9
332 6 -3 0 43.667 87.334 0.448 2.91 6 22.1 2.1
333 -6 2 2 43.691 87.381 0.448 2.9 6 38.2 6.2
334 2 4 8 43.802 87.605 0.449 2.9 6 41.5 7.3
335 8 4 2 43.802 87.605 0.449 2.9 6 40.8 7.1
336 2 -3 6 44.099 88.198 0.452 2.88 6 54.3 12.4
337 6 -3 2 44.099 88.198 0.452 2.88 6 84.0 29.8
338 1 2 8 44.155 88.31 0.452 2.87 6 12.3 0.6
339 8 2 1 44.155 88.31 0.452 2.87 6 22.1 2.1
340 1 3 8 44.3 88.6 0.453 2.87 6 69.7 20.4
341 5 7 0 44.3 88.6 0.453 2.87 6 18.1 1.4
342 7 5 0 44.3 88.6 0.453 2.87 6 71.9 21.7
343 8 3 1 44.3 88.6 0.453 2.87 6 14.7 0.9
344 4 -4 4 44.648 89.296 0.456 2.85 6 83.0 28.8
345 -5 4 2 44.719 89.437 0.457 2.84 6 7.2 0.2
346 2 4 -5 44.719 89.437 0.457 2.84 6 1.7 0.0
347 3 5 8 44.788 89.575 0.457 2.84 6 67.7 19.0
348 8 5 3 44.788 89.575 0.457 2.84 6 11.7 0.6
349 4 5 8 44.886 89.772 0.458 2.83 6 3.3 0.0
350 8 5 4 44.886 89.772 0.458 2.83 6 51.9 11.2
351 -6 3 1 44.958 89.916 0.459 2.83 6 14.1 0.8
352 1 3 -6 44.958 89.916 0.459 2.83 6 10.2 0.4
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 1 6.426 12.852 6.8825 24.5 2.0 2.0 5.6
2 2 1 1 9.913 19.826 4.47439 201.3 16.1 16.2 5.6
3 1 -1 1 10.119 20.237 4.38437 19.0 1.5 1.5 5.6
4 1 2 0 10.725 21.45 4.13916 389.7 31.2 31.4 5.6
5 2 0 0 10.789 21.578 4.11489 85.2 6.8 6.9 5.6
6 1 2 2 11.849 23.698 3.75133 209.5 16.7 16.8 5.6
7 2 2 2 12.935 25.869 3.44125 19.2 1.5 1.5 5.6
8 2 2 0 13.148 26.296 3.3863 934.9 74.8 75.0 5.6
9 1 -2 0 13.306 26.613 3.34677 61.8 4.9 5.0 5.6
10 2 1 -1 13.831 27.662 3.22219 59.3 4.7 4.8 5.6
11 3 1 1 14.685 29.371 3.03844 936.1 74.9 75.0 5.6
12 -2 1 1 14.923 29.846 2.99113 343.8 27.5 27.5 5.6
13 1 2 3 15.588 31.176 2.86651 1250.6 100.0 100.0 5.6
14 1 3 0 15.768 31.537 2.83451 971.3 77.7 77.6 5.6
15 3 2 2 15.955 31.911 2.80214 60.3 4.8 4.8 5.6
16 -1 2 2 16.307 32.615 2.74326 400.9 32.1 32.0 5.6
17 3 2 0 17.091 34.183 2.62094 564.2 45.1 45.0 5.7
18 2 -2 0 17.299 34.598 2.59039 97.0 7.8 7.7 5.7
19 1 2 -2 18.164 36.329 2.47088 866.9 69.3 69.0 5.7
20 1 3 3 18.211 36.423 2.46472 14.4 1.1 1.1 5.7
21 3 1 -1 18.525 37.051 2.42436 222.3 17.8 17.7 5.7
22 1 -3 0 18.564 37.129 2.41946 279.6 22.4 22.2 5.7
23 3 3 3 19.619 39.237 2.29417 48.0 3.8 3.8 5.7
24 4 1 1 19.95 39.901 2.25753 13.2 1.1 1.0 5.7
25 -1 2 3 20.096 40.193 2.2418 701.1 56.1 55.6 5.7
26 1 2 4 20.248 40.496 2.22568 40.2 3.2 3.2 5.7
27 4 1 0 21.184 42.368 2.13158 877.0 70.1 69.4 5.7
28 2 3 4 21.543 43.086 2.0977 56.2 4.5 4.4 5.7
29 4 3 1 22.027 44.053 2.05388 39.3 3.1 3.1 5.7
30 1 -2 3 22.429 44.858 2.01889 32.6 2.6 2.6 5.7
31 4 3 3 22.508 45.016 2.01217 18.0 1.4 1.4 5.7
32 -3 2 1 23.164 46.329 1.95815 83.0 6.6 6.5 5.7
33 4 -1 1 23.755 47.51 1.91218 141.2 11.3 11.1 5.7
34 3 4 0 23.888 47.776 1.90214 248.4 19.9 19.5 5.7
35 3 2 -2 24.141 48.282 1.88341 62.2 5.0 4.9 5.7
36 2 4 4 24.247 48.494 1.87567 35.1 2.8 2.8 5.7
37 4 2 -1 24.714 49.428 1.84239 233.0 18.6 18.3 5.7
38 5 2 1 25.465 50.93 1.79152 793.8 63.5 62.2 5.8
39 5 3 2 25.897 51.794 1.76364 103.2 8.2 8.1 5.8
40 4 4 4 26.595 53.189 1.72062 42.8 3.4 3.3 5.8
41 5 1 0 26.91 53.821 1.70191 343.0 27.4 26.8 5.8
42 -2 3 3 27.027 54.053 1.69514 59.7 4.8 4.7 5.8
43 1 -3 3 27.114 54.227 1.69012 38.2 3.1 3.0 5.8
44 2 5 0 27.148 54.296 1.68814 41.0 3.3 3.2 5.8
45 5 0 0 27.903 55.807 1.64596 159.2 12.7 12.4 5.8
46 3 4 5 28.146 56.292 1.63292 34.2 2.7 2.7 5.8
47 4 -2 2 28.562 57.124 1.6111 126.4 10.1 9.8 5.8
48 -4 2 1 28.646 57.292 1.60678 13.4 1.1 1.0 5.8
49 2 3 -3 28.929 57.858 1.59238 12.6 1.0 1.0 5.8
50 1 4 5 28.995 57.99 1.58908 952.8 76.2 74.0 5.8
51 5 1 -1 29.409 58.817 1.56869 122.7 9.8 9.5 5.8
52 -1 2 5 29.937 59.875 1.54348 139.7 11.2 10.8 5.8
53 1 -5 0 30.046 60.092 1.53842 109.5 8.8 8.5 5.8
54 6 2 2 30.466 60.932 1.51922 22.0 1.8 1.7 5.8
55 4 3 -2 30.867 61.734 1.50137 57.3 4.6 4.4 5.8
56 6 3 2 30.931 61.861 1.49861 378.1 30.2 29.2 5.8
57 6 2 1 31.143 62.286 1.48939 12.8 1.0 1.0 5.8
58 5 3 -1 31.597 63.194 1.47016 19.6 1.6 1.5 5.9
59 -5 1 1 31.807 63.614 1.46146 85.3 6.8 6.6 5.9
60 6 3 1 31.896 63.791 1.45783 23.4 1.9 1.8 5.9
61 3 4 6 32.379 64.759 1.43837 84.6 6.8 6.5 5.9
62 -4 3 1 32.417 64.834 1.43689 1027.2 82.1 78.9 5.9
63 1 -2 5 32.892 65.783 1.41843 74.1 5.9 5.7 5.9
64 1 6 0 32.999 65.999 1.41432 13.7 1.1 1.1 5.9
65 2 -5 0 33.205 66.409 1.40656 64.9 5.2 5.0 5.9
66 6 4 4 33.352 66.704 1.40107 67.2 5.4 5.1 5.9
67 5 -2 2 33.674 67.348 1.38923 74.7 6.0 5.7 5.9
68 3 6 0 33.937 67.875 1.37972 17.2 1.4 1.3 5.9
69 -2 4 4 34.165 68.33 1.37163 150.1 12.0 11.5 5.9
70 6 5 3 34.717 69.435 1.35248 67.9 5.4 5.2 5.9
71 2 5 6 35.122 70.245 1.33886 92.8 7.4 7.1 5.9
72 4 5 6 35.381 70.762 1.33034 80.8 6.5 6.1 5.9
73 -2 3 5 35.516 71.032 1.32595 21.7 1.7 1.6 5.9
74 6 2 -1 35.719 71.438 1.3194 27.7 2.2 2.1 5.9
75 6 4 0 36.0 72.001 1.31047 24.4 2.0 1.9 5.9
76 1 -6 0 36.37 72.74 1.29897 16.5 1.3 1.3 6.0
77 6 5 1 36.58 73.16 1.29253 40.4 3.2 3.1 6.0
78 7 4 3 37.38 74.761 1.26878 29.9 2.4 2.3 6.0
79 7 4 4 38.025 76.05 1.25044 20.6 1.6 1.6 6.0
80 -6 1 1 38.253 76.506 1.24412 24.4 1.9 1.8 6.0
81 1 3 -5 38.325 76.651 1.24213 81.6 6.5 6.1 6.0
82 4 6 6 38.396 76.793 1.24019 21.5 1.7 1.6 6.0
83 2 4 -4 38.571 77.142 1.23544 23.2 1.9 1.7 6.0
84 -3 4 4 38.989 77.978 1.22428 46.8 3.7 3.5 6.0
85 6 4 -1 39.238 78.476 1.21776 68.6 5.5 5.1 6.0
86 6 2 -2 39.453 78.907 1.21218 42.6 3.4 3.2 6.0
87 2 -6 0 39.549 79.098 1.20973 29.9 2.4 2.2 6.0
88 4 5 7 39.691 79.382 1.20611 42.2 3.4 3.2 6.0
89 3 7 0 39.921 79.841 1.20032 21.0 1.7 1.6 6.0
90 7 5 2 39.977 79.955 1.19891 37.9 3.0 2.8 6.0
91 5 -3 3 40.278 80.556 1.19146 48.0 3.8 3.6 6.1
92 3 -4 4 41.123 82.245 1.17122 18.4 1.5 1.4 6.1
93 7 5 1 41.642 83.284 1.15923 34.7 2.8 2.6 6.1
94 7 1 -1 42.209 84.418 1.14653 114.1 9.1 8.4 6.1
95 7 6 3 42.25 84.5 1.14562 36.9 3.0 2.7 6.1
96 -1 5 6 42.477 84.954 1.14066 23.0 1.8 1.7 6.1
97 8 3 3 42.533 85.066 1.13944 29.0 2.3 2.1 6.1
98 2 3 8 42.914 85.829 1.13126 13.6 1.1 1.0 6.1
99 8 2 2 43.032 86.064 1.12877 24.1 1.9 1.8 6.1
100 7 3 -1 43.075 86.15 1.12787 17.7 1.4 1.3 6.1
101 7 6 2 43.159 86.317 1.12611 31.7 2.5 2.3 6.1
102 7 -1 0 43.287 86.573 1.12343 40.8 3.3 3.0 6.1
103 -2 4 6 43.409 86.817 1.1209 147.1 11.8 10.8 6.1
104 2 4 8 43.802 87.605 1.11284 14.4 1.2 1.1 6.2
105 6 -3 2 44.099 88.198 1.10688 42.2 3.4 3.1 6.2
106 7 5 0 44.3 88.6 1.10289 44.4 3.5 3.2 6.2
107 4 -4 4 44.648 89.296 1.09609 28.8 2.3 2.1 6.2
108 3 5 8 44.788 89.575 1.0934 19.6 1.6 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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