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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KORNERUPINE
1
Mg(3)Al(6)(Si,Al)(5)O(21)(OH)
Orthorhombic C mcm Z = 4
Cmcm
10 .5 .1988
Ref.Str.:
Moore P.B., Bennett Y.M. (1969)
* Science, 159, 524-526
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.1 alpha = 90.0
b = 13.767 beta = 90.0
c = 6.735 gamma = 90.0
Unit cell volume (cub. angs.) = 1492.8
Molar volume ( cub.cm/mol.) = 224.79
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1226 0.1402 0.25 0.0 Mg = 1.00
2 0.5 0.1464 0.25 0.0 Mg = 1.00
3 0.4018 0.353 0.25 0.0 Si = 1.00
4 0.0 0.3435 0.25 0.0 Si = 1.00
5 0.1794 0.333 0.25 0.0 Al = 0.35, Si = 0.65
6 0.2147 0.0 0.0 0.0 Al = 1.00
7 0.3146 0.1407 0.25 0.0 Al = 1.00
8 0.0928 0.5 0.0 0.0 Al = 1.00
9 0.2242 0.0439 0.25 0.0 O = 1.00
10 0.4032 0.0457 0.25 0.0 O = 1.00
11 0.4032 0.2354 0.25 0.0 O = 1.00
12 0.1381 0.1008 0.948 0.0 O = 1.00
13 0.2346 0.2356 0.25 0.0 O = 1.00
14 0.3162 0.0942 0.9552 0.0 O = 1.00
15 0.0842 0.2794 0.25 0.0 O = 1.00
16 0.5 0.0878 0.9495 0.0 O = 1.00
17 0.5 0.3875 0.25 0.0 O = 1.00
18 0.0 0.0882 0.25 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1226 0.1402 0.25
2 2 0.5 0.1464 0.25
3 3 0.4018 0.353 0.25
4 4 0.0 0.3435 0.25
5 5 0.1794 0.333 0.25
6 6 0.2147 0.0 0.0
7 7 0.3146 0.1407 0.25
8 8 0.0928 0.5 0.0
9 9 0.2242 0.0439 0.25
10 10 0.4032 0.0457 0.25
11 11 0.4032 0.2354 0.25
12 12 0.1381 0.1008 0.948
13 13 0.2346 0.2356 0.25
14 14 0.3162 0.0942 0.9552
15 15 0.0842 0.2794 0.25
16 16 0.5 0.0878 0.9495
17 17 0.5 0.3875 0.25
18 18 0.0 0.0882 0.25
19 1 0.8774 0.8598 0.75
20 2 0.5 0.8536 0.75
21 3 0.5982 0.647 0.75
22 4 0.0 0.6565 0.75
23 5 0.8206 0.667 0.75
24 6 0.7853 0.0 0.5
25 7 0.6854 0.8593 0.75
26 8 0.9072 0.5 0.5
27 9 0.7758 0.9561 0.75
28 10 0.5968 0.9543 0.75
29 11 0.5968 0.7646 0.75
30 12 0.8619 0.8992 0.448
31 13 0.7654 0.7644 0.75
32 14 0.6838 0.9058 0.4552
33 15 0.9158 0.7206 0.75
34 16 0.5 0.9122 0.4495
35 17 0.5 0.6125 0.75
36 18 0.0 0.9118 0.75
37 1 0.8774 0.1402 0.25
38 3 0.5982 0.353 0.25
39 5 0.8206 0.333 0.25
40 6 0.7853 0.0 0.0
41 7 0.6854 0.1407 0.25
42 8 0.9072 0.5 0.0
43 9 0.7758 0.0439 0.25
44 10 0.5968 0.0457 0.25
45 11 0.5968 0.2354 0.25
46 12 0.8619 0.1008 0.948
47 13 0.7654 0.2356 0.25
48 14 0.6838 0.0942 0.9552
49 15 0.9158 0.2794 0.25
50 1 0.1226 0.8598 0.75
51 3 0.4018 0.647 0.75
52 5 0.1794 0.667 0.75
53 6 0.2147 0.0 0.5
54 7 0.3146 0.8593 0.75
55 8 0.0928 0.5 0.5
56 9 0.2242 0.9561 0.75
57 10 0.4032 0.9543 0.75
58 11 0.4032 0.7646 0.75
59 12 0.1381 0.8992 0.448
60 13 0.2346 0.7644 0.75
61 14 0.3162 0.9058 0.4552
62 15 0.0842 0.7206 0.75
63 12 0.1381 0.1008 0.552
64 14 0.3162 0.0942 0.5448
65 16 0.5 0.0878 0.5505
66 12 0.8619 0.8992 0.052
67 14 0.6838 0.9058 0.0448
68 16 0.5 0.9122 0.0505
69 12 0.8619 0.1008 0.552
70 14 0.6838 0.0942 0.5448
71 12 0.1381 0.8992 0.052
72 14 0.3162 0.9058 0.0448
73 1 0.3774 0.3598 0.75
74 2 0.0 0.3536 0.75
75 3 0.0982 0.147 0.75
76 4 0.5 0.1565 0.75
77 5 0.3206 0.167 0.75
78 6 0.2853 0.5 0.5
79 7 0.1854 0.3593 0.75
80 8 0.4072 0.0 0.5
81 9 0.2758 0.4561 0.75
82 10 0.0968 0.4543 0.75
83 11 0.0968 0.2646 0.75
84 12 0.3619 0.3992 0.448
85 13 0.2654 0.2644 0.75
86 14 0.1838 0.4058 0.4552
87 15 0.4158 0.2206 0.75
88 16 0.0 0.4122 0.4495
89 17 0.0 0.1125 0.75
90 18 0.5 0.4118 0.75
91 1 0.6226 0.6402 0.25
92 2 0.0 0.6464 0.25
93 3 0.9018 0.853 0.25
94 4 0.5 0.8435 0.25
95 5 0.6794 0.833 0.25
96 6 0.7147 0.5 0.0
97 7 0.8146 0.6407 0.25
98 8 0.5928 0.0 0.0
99 9 0.7242 0.5439 0.25
100 10 0.9032 0.5457 0.25
101 11 0.9032 0.7354 0.25
102 12 0.6381 0.6008 0.948
103 13 0.7346 0.7356 0.25
104 14 0.8162 0.5942 0.9552
105 15 0.5842 0.7794 0.25
106 16 0.0 0.5878 0.9495
107 17 0.0 0.8875 0.25
108 18 0.5 0.5882 0.25
109 1 0.6226 0.3598 0.75
110 3 0.9018 0.147 0.75
111 5 0.6794 0.167 0.75
112 6 0.7147 0.5 0.5
113 7 0.8146 0.3593 0.75
114 8 0.5928 0.0 0.5
115 9 0.7242 0.4561 0.75
116 10 0.9032 0.4543 0.75
117 11 0.9032 0.2646 0.75
118 12 0.6381 0.3992 0.448
119 13 0.7346 0.2644 0.75
120 14 0.8162 0.4058 0.4552
121 15 0.5842 0.2206 0.75
122 1 0.3774 0.6402 0.25
123 3 0.0982 0.853 0.25
124 5 0.3206 0.833 0.25
125 6 0.2853 0.5 0.0
126 7 0.1854 0.6407 0.25
127 8 0.4072 0.0 0.0
128 9 0.2758 0.5439 0.25
129 10 0.0968 0.5457 0.25
130 11 0.0968 0.7354 0.25
131 12 0.3619 0.6008 0.948
132 13 0.2654 0.7356 0.25
133 14 0.1838 0.5942 0.9552
134 15 0.4158 0.7794 0.25
135 12 0.3619 0.3992 0.052
136 14 0.1838 0.4058 0.0448
137 16 0.0 0.4122 0.0505
138 12 0.6381 0.6008 0.552
139 14 0.8162 0.5942 0.5448
140 16 0.0 0.5878 0.5505
141 12 0.6381 0.3992 0.052
142 14 0.8162 0.4058 0.0448
143 12 0.3619 0.6008 0.552
144 14 0.1838 0.5942 0.5448
X-ray density (g/cm cub.) = 3.23
MU (1/cm) = 102.155 Mass attenuation coefficient (cm**2/g) = 31.615
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1056 9
2.1198 12
2.2308 13
2.0136 15
2.0997 18
2.1198 12
2 Mg 2.52 6
2.0859 10
1.9825 11
2.1787 16
2.0859 10
1.9825 11
2.1787 16
3 Si 2.1 4
1.6192 11
1.6508 17
1.6111 12
1.6111 12
4 Si 2.1 4
1.6175 15
1.6175 15
1.6431 16
1.6431 16
5 Al ,Si 2.316 4
1.6087 13
1.7011 15
1.7086 14
1.7086 14
6 Al 2.316 6
1.7955 9
1.8893 12
2.1079 14
1.7955 9
1.8893 12
2.1079 14
7 Al 2.316 6
1.9734 9
1.9353 10
1.9325 11
1.8346 13
2.0863 14
2.0863 14
8 Al 2.316 6
1.7986 10
1.9517 16
1.7986 10
1.9797 14
1.9797 14
1.9517 16
9 O 3.264 10
2.882 10
2.5831 12
2.6444 13
2.5721 14
2.7692 12
2.7782 14
2.5831 12
2.5721 14
2.7692 12
2.7782 14
10 O 3.264 11
2.882 9
2.6116 11
2.5199 14
2.6193 16
2.759 16
3.117 10
2.7534 14
2.5199 14
2.6193 16
2.759 16
2.7534 14
11 O 3.264 8
2.6116 10
2.7145 13
3.1117 14
2.6103 17
3.117 11
3.1117 14
2.7029 12
2.7029 12
12 O 3.264 9
2.5831 9
3.1615 13
2.8693 14
3.0184 18
2.7692 9
2.6671 12
2.8624 12
2.7029 11
2.5977 17
13 O 3.264 9
2.6444 9
2.7145 11
3.1615 12
3.0753 14
2.4954 15
3.1615 12
3.0753 14
2.8406 14
2.8406 14
14 O 3.264 12
2.5721 9
2.5199 10
3.1117 11
2.8693 12
3.0753 13
2.9607 16
2.7782 9
2.7534 10
2.764 14
2.663 14
2.8406 13
2.7403 15
15 O 3.264 7
2.4954 13
2.9608 18
2.7112 15
2.7403 14
2.643 16
2.7403 14
2.643 16
16 O 3.264 10
2.6193 10
2.9607 14
2.759 10
2.6193 10
2.9607 14
2.759 10
2.6873 16
2.5114 16
2.643 15
2.643 15
17 O 3.264 7
2.6103 11
2.6103 11
2.5977 12
2.763 18
2.5977 12
2.5977 12
2.5977 12
18 O 3.264 7
3.0184 12
2.9608 15
3.0184 12
2.9608 15
3.0184 12
3.0184 12
2.763 17
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 4.222 8.444 0.048 366.05 4 106.2 741.1
2 2 0 0 5.491 10.982 0.062 215.46 2 73.0 103.0
3 0 2 0 6.425 12.85 0.073 156.75 2 100.5 142.0
4 1 1 1 7.817 15.635 0.088 105.16 8 6.8 1.8
5 2 2 0 8.467 16.933 0.096 89.32 4 55.9 50.1
6 3 1 0 8.862 17.723 0.1 81.34 4 49.3 35.5
7 0 2 1 9.207 18.415 0.104 75.19 4 31.9 13.7
8 1 3 0 10.052 20.104 0.113 62.74 4 37.4 15.8
9 2 2 1 10.745 21.49 0.121 54.64 8 67.2 88.6
10 4 0 0 11.033 22.066 0.124 51.71 2 116.7 63.2
11 3 1 1 11.062 22.123 0.125 51.43 8 27.3 13.7
12 1 3 1 12.045 24.089 0.135 43.05 8 39.7 24.4
13 3 3 0 12.759 25.518 0.143 38.14 4 51.7 18.3
14 4 2 0 12.808 25.617 0.144 37.83 4 36.4 9.0
15 0 4 0 12.933 25.865 0.145 37.07 2 218.0 158.1
16 0 0 2 13.223 26.446 0.148 35.37 2 353.3 396.3
17 1 1 2 13.904 27.808 0.156 31.8 8 61.1 42.6
18 2 4 0 14.087 28.175 0.158 30.93 4 86.6 41.6
19 5 1 0 14.222 28.443 0.159 30.31 4 71.3 27.6
20 2 0 2 14.356 28.712 0.161 29.71 4 87.3 40.6
21 3 3 1 14.401 28.802 0.161 29.51 8 28.5 8.6
22 4 2 1 14.445 28.89 0.162 29.32 8 24.2 6.2
23 0 4 1 14.556 29.113 0.163 28.84 4 120.6 75.3
24 0 2 2 14.753 29.505 0.165 28.03 4 400.5 807.0
25 2 4 1 15.601 31.202 0.175 24.86 8 16.8 2.5
26 5 1 1 15.723 31.446 0.176 24.44 8 107.5 101.4
27 2 2 2 15.785 31.57 0.177 24.24 8 47.2 19.3
28 3 1 2 16.008 32.017 0.179 23.51 8 79.7 53.6
29 1 5 0 16.488 32.976 0.184 22.06 4 158.0 98.8
30 6 0 0 16.682 33.364 0.186 21.51 2 59.4 6.8
31 1 3 2 16.722 33.444 0.187 21.39 8 76.2 44.6
32 5 3 0 16.992 33.983 0.19 20.66 4 493.9 904.6
33 4 4 0 17.126 34.252 0.191 20.31 4 74.8 20.4
34 4 0 2 17.352 34.704 0.194 19.74 4 2.8 0.0
35 1 5 1 17.818 35.636 0.199 18.63 8 0.8 0.0
36 6 2 0 17.945 35.89 0.2 18.34 4 1.4 0.0
37 5 3 1 18.289 36.579 0.204 17.59 8 42.1 11.2
38 3 5 0 18.326 36.652 0.204 17.51 4 11.4 0.4
39 4 4 1 18.415 36.83 0.205 17.33 8 8.6 0.5
40 3 3 2 18.539 37.079 0.206 17.07 8 1.1 0.0
41 4 2 2 18.575 37.149 0.207 17.0 8 54.5 18.1
42 0 4 2 18.664 37.328 0.208 16.82 4 192.3 111.7
43 6 2 1 19.186 38.373 0.213 15.83 8 24.7 3.5
44 2 4 2 19.513 39.025 0.217 15.25 8 52.8 15.3
45 3 5 1 19.547 39.094 0.217 15.19 8 23.3 3.0
46 5 1 2 19.614 39.227 0.218 15.08 8 109.4 64.8
47 0 6 0 19.616 39.231 0.218 15.07 2 94.3 12.0
48 7 1 0 19.849 39.698 0.22 14.68 4 21.1 1.2
49 2 6 0 20.431 40.862 0.227 13.77 4 25.9 1.7
50 1 1 3 20.543 41.087 0.228 13.6 8 11.8 0.7
51 0 6 1 20.772 41.545 0.23 13.27 4 54.2 7.0
52 7 1 1 20.995 41.99 0.233 12.95 8 13.2 0.8
53 0 2 3 21.155 42.31 0.234 12.73 4 191.5 83.9
54 6 4 0 21.346 42.692 0.236 12.48 4 414.2 384.3
55 1 5 2 21.378 42.756 0.237 12.44 8 86.2 33.2
56 6 0 2 21.534 43.068 0.238 12.24 4 40.8 3.7
57 2 6 1 21.551 43.103 0.238 12.22 8 0.8 0.0
58 5 5 0 21.598 43.195 0.239 12.16 4 303.0 200.3
59 5 3 2 21.784 43.568 0.241 11.92 8 139.8 83.6
60 4 4 2 21.893 43.786 0.242 11.79 8 1.4 0.0
61 2 2 3 21.923 43.847 0.242 11.75 8 75.4 24.0
62 7 3 0 22.0 44.001 0.243 11.66 4 59.5 7.4
63 3 1 3 22.093 44.185 0.244 11.55 8 50.1 10.4
64 6 4 1 22.429 44.858 0.248 11.17 8 58.7 13.8
65 8 0 0 22.504 45.008 0.248 11.08 2 94.5 8.9
66 6 2 2 22.565 45.13 0.249 11.01 8 58.0 13.3
67 1 3 3 22.641 45.281 0.25 10.93 8 50.6 10.1
68 5 5 1 22.671 45.343 0.25 10.9 8 101.1 40.0
69 4 6 0 22.732 45.464 0.251 10.83 4 37.0 2.7
70 3 5 2 22.882 45.763 0.252 10.67 8 0.3 0.0
71 7 3 1 23.059 46.119 0.254 10.49 8 43.0 7.0
72 1 7 0 23.239 46.478 0.256 10.31 4 39.5 2.9
73 8 2 0 23.501 47.003 0.259 10.05 4 5.6 0.1
74 4 6 1 23.765 47.531 0.262 9.8 8 33.3 3.9
75 0 6 2 23.968 47.936 0.264 9.61 4 134.7 31.3
76 3 3 3 24.082 48.164 0.265 9.51 8 18.4 1.2
77 4 2 3 24.11 48.221 0.265 9.48 8 29.6 3.0
78 7 1 2 24.168 48.335 0.266 9.43 8 2.6 0.0
79 0 4 3 24.183 48.366 0.266 9.42 4 229.2 88.8
80 1 7 1 24.256 48.512 0.267 9.35 8 24.5 2.0
81 8 2 1 24.51 49.019 0.269 9.13 8 44.0 6.3
82 3 7 0 24.654 49.307 0.271 9.01 4 56.3 5.1
83 2 6 2 24.667 49.334 0.271 9.0 8 8.8 0.3
84 2 4 3 24.877 49.755 0.273 8.83 8 2.3 0.0
85 5 1 3 24.961 49.921 0.274 8.76 8 5.9 0.1
86 6 4 2 25.461 50.922 0.279 8.37 8 53.5 8.6
87 3 7 1 25.628 51.256 0.281 8.25 8 52.1 8.0
88 5 5 2 25.682 51.363 0.281 8.21 8 190.9 107.5
89 9 1 0 25.735 51.47 0.282 8.17 4 141.8 29.5
90 7 5 0 25.873 51.746 0.283 8.07 4 111.7 18.1
91 7 3 2 26.035 52.071 0.285 7.96 8 42.7 5.2
92 6 6 0 26.213 52.425 0.287 7.84 4 44.1 2.7
93 8 4 0 26.32 52.639 0.288 7.77 4 67.7 6.4
94 1 5 3 26.441 52.883 0.289 7.68 8 18.8 1.0
95 8 0 2 26.48 52.961 0.289 7.66 4 80.3 8.9
96 0 8 0 26.59 53.181 0.291 7.59 2 267.9 48.9
97 9 1 1 26.681 53.362 0.291 7.53 8 14.5 0.6
98 4 6 2 26.683 53.365 0.291 7.53 8 68.9 12.8
99 5 3 3 26.788 53.576 0.293 7.46 8 97.0 25.2
100 7 5 1 26.815 53.63 0.293 7.44 8 104.6 29.2
101 4 4 3 26.881 53.763 0.293 7.4 8 23.4 1.5
102 1 7 2 27.134 54.269 0.296 7.24 8 61.0 9.7
103 6 6 1 27.147 54.294 0.296 7.24 8 106.5 29.5
104 0 0 4 27.225 54.449 0.297 7.19 2 713.3 328.3
105 2 8 0 27.24 54.481 0.297 7.18 4 26.3 0.9
106 8 4 1 27.251 54.502 0.297 7.17 8 40.1 4.1
107 5 7 0 27.318 54.637 0.298 7.13 4 159.2 32.5
108 8 2 2 27.369 54.738 0.298 7.1 8 27.1 1.9
109 6 2 3 27.461 54.921 0.299 7.05 8 105.5 28.2
110 0 8 1 27.516 55.031 0.3 7.02 4 45.4 2.6
111 9 3 0 27.526 55.052 0.3 7.01 4 88.8 9.9
112 1 1 4 27.604 55.209 0.301 6.97 8 56.9 8.1
113 3 5 3 27.735 55.471 0.302 6.89 8 18.8 0.9
114 2 0 4 27.864 55.729 0.303 6.82 4 34.5 1.5
115 0 2 4 28.097 56.194 0.306 6.69 4 22.0 0.6
116 2 8 1 28.151 56.302 0.306 6.66 8 19.9 0.9
117 5 7 1 28.227 56.455 0.307 6.62 8 82.0 16.0
118 3 7 2 28.407 56.814 0.309 6.53 8 6.9 0.1
119 9 3 1 28.431 56.861 0.309 6.52 8 19.5 0.9
120 10 0 0 28.583 57.166 0.311 6.44 2 406.0 95.3
121 0 6 3 28.687 57.374 0.312 6.39 4 43.5 2.2
122 2 2 4 28.724 57.448 0.312 6.37 8 35.2 2.8
123 7 1 3 28.863 57.726 0.313 6.3 8 50.7 5.8
124 3 1 4 28.863 57.726 0.313 6.3 8 10.8 0.3
125 4 8 0 29.131 58.261 0.316 6.17 4 69.8 5.4
126 2 6 3 29.306 58.611 0.318 6.09 8 23.6 1.2
127 1 3 4 29.317 58.634 0.318 6.08 8 19.5 0.8
128 9 1 2 29.392 58.783 0.319 6.05 8 71.2 11.0
129 10 2 0 29.429 58.858 0.319 6.03 4 58.5 3.7
130 7 5 2 29.518 59.035 0.32 5.99 8 32.4 2.3
131 4 0 4 29.729 59.457 0.322 5.89 4 55.3 3.2
132 6 6 2 29.829 59.659 0.323 5.85 8 288.4 174.7
133 8 4 2 29.928 59.855 0.324 5.8 8 6.3 0.1
134 4 8 1 30.004 60.008 0.325 5.77 8 25.1 1.3
135 6 4 3 30.014 60.029 0.325 5.77 8 37.9 3.0
136 0 8 2 30.177 60.353 0.326 5.7 4 21.5 0.5
137 5 5 3 30.212 60.424 0.327 5.68 8 53.8 5.9
138 10 2 1 30.297 60.594 0.327 5.65 8 25.4 1.3
139 1 9 0 30.386 60.773 0.328 5.61 4 9.9 0.1
140 7 3 3 30.53 61.061 0.33 5.55 8 81.8 13.3
141 3 3 4 30.531 61.061 0.33 5.55 8 44.5 4.0
142 4 2 4 30.555 61.11 0.33 5.54 8 26.8 1.4
143 8 6 0 30.605 61.209 0.33 5.52 4 67.9 4.6
144 0 4 4 30.616 61.233 0.331 5.52 4 77.8 6.0
145 2 8 2 30.777 61.554 0.332 5.45 8 62.1 7.6
146 5 7 2 30.849 61.698 0.333 5.43 8 483.9 456.1
147 9 5 0 30.897 61.793 0.333 5.41 4 14.7 0.2
148 7 7 0 31.019 62.038 0.335 5.36 4 75.3 5.5
149 9 3 2 31.042 62.083 0.335 5.35 8 123.8 29.4
150 4 6 3 31.116 62.231 0.335 5.32 8 63.1 7.6
151 2 4 4 31.212 62.423 0.336 5.29 8 68.8 9.0
152 1 9 1 31.238 62.476 0.337 5.28 8 89.1 15.0
153 5 1 4 31.283 62.567 0.337 5.26 8 3.4 0.0
154 8 6 1 31.453 62.906 0.339 5.2 8 57.9 6.3
155 1 7 3 31.526 63.052 0.339 5.17 8 23.0 1.0
156 3 9 0 31.575 63.15 0.34 5.15 4 39.0 1.4
157 8 2 3 31.74 63.48 0.341 5.1 8 62.6 7.2
158 9 5 1 31.74 63.481 0.341 5.1 8 37.6 2.6
159 7 7 1 31.861 63.722 0.343 5.05 8 27.4 1.4
160 10 4 0 31.883 63.767 0.343 5.05 4 51.9 2.4
161 11 1 0 31.954 63.909 0.344 5.02 4 347.0 108.5
162 10 0 2 32.026 64.052 0.344 5.0 4 166.4 24.8
163 6 8 0 32.124 64.248 0.345 4.96 4 85.8 6.6
164 3 9 1 32.409 64.818 0.348 4.87 8 2.4 0.0
165 4 8 2 32.538 65.077 0.349 4.83 8 9.6 0.2
166 1 5 4 32.573 65.145 0.349 4.82 8 113.5 22.3
167 6 0 4 32.689 65.379 0.351 4.78 4 22.9 0.4
168 3 7 3 32.691 65.383 0.351 4.78 8 17.6 0.5
169 10 4 1 32.713 65.426 0.351 4.77 8 73.5 9.2
170 11 1 1 32.783 65.566 0.351 4.75 8 75.1 9.6
171 10 2 2 32.819 65.637 0.352 4.74 8 147.2 36.9
172 5 3 4 32.878 65.756 0.352 4.72 8 368.6 230.3
173 6 8 1 32.95 65.9 0.353 4.7 8 18.9 0.6
174 4 4 4 32.96 65.921 0.353 4.7 8 34.4 2.0
175 6 2 4 33.474 66.948 0.358 4.55 8 50.4 4.1
176 11 3 0 33.532 67.063 0.359 4.53 4 61.9 3.1
177 9 1 3 33.601 67.203 0.359 4.51 8 10.8 0.2
178 7 5 3 33.718 67.437 0.36 4.48 8 104.0 17.4
179 3 5 4 33.719 67.437 0.36 4.48 8 31.3 1.6
180 1 9 2 33.721 67.441 0.36 4.48 8 65.0 6.8
181 5 9 0 33.883 67.765 0.362 4.43 4 214.3 36.5
182 8 6 2 33.927 67.854 0.362 4.42 8 14.3 0.3
183 6 6 3 34.008 68.016 0.363 4.4 8 135.7 29.0
184 0 10 0 34.022 68.044 0.363 4.39 2 55.1 1.2
185 8 4 3 34.1 68.199 0.364 4.37 8 20.6 0.7
186 9 5 2 34.203 68.407 0.365 4.34 8 44.9 3.1
187 7 7 2 34.32 68.639 0.366 4.31 8 21.2 0.7
188 0 8 3 34.332 68.664 0.366 4.31 4 111.8 9.7
189 11 3 1 34.341 68.682 0.366 4.31 8 37.3 2.2
190 0 6 4 34.572 69.144 0.368 4.25 4 211.1 34.0
191 2 10 0 34.585 69.171 0.368 4.25 4 29.2 0.6
192 5 9 1 34.688 69.375 0.369 4.22 8 27.4 1.1
193 7 1 4 34.731 69.461 0.37 4.21 8 16.5 0.4
194 0 10 1 34.826 69.651 0.371 4.19 4 148.6 16.6
195 3 9 2 34.848 69.696 0.371 4.18 8 40.4 2.4
196 2 8 3 34.893 69.786 0.371 4.17 8 1.5 0.0
197 5 7 3 34.961 69.921 0.372 4.15 8 156.5 36.5
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 4.222 8.444 10.46328 741.1 81.9 83.4 5.6
2 2 0 0 5.491 10.982 8.05 103.0 11.4 11.6 5.6
3 0 2 0 6.425 12.85 6.8835 142.0 15.7 15.9 5.6
4 2 2 0 8.467 16.933 5.23164 50.1 5.5 5.6 5.6
5 3 1 0 8.862 17.723 5.00018 35.5 3.9 4.0 5.6
6 0 2 1 9.207 18.415 4.81401 13.7 1.5 1.5 5.6
7 1 3 0 10.052 20.104 4.41323 15.8 1.7 1.8 5.6
8 2 2 1 10.745 21.49 4.13159 88.6 9.8 9.9 5.6
9 4 0 0 11.033 22.066 4.025 63.2 7.0 7.1 5.6
10 3 1 1 11.062 22.123 4.01471 13.7 1.5 1.5 5.6
11 1 3 1 12.045 24.089 3.69133 24.4 2.7 2.7 5.6
12 3 3 0 12.759 25.518 3.48776 18.3 2.0 2.0 5.6
13 0 4 0 12.933 25.865 3.44175 158.1 17.5 17.6 5.6
14 0 0 2 13.223 26.446 3.3675 396.3 43.8 44.1 5.6
15 1 1 2 13.904 27.808 3.20557 42.6 4.7 4.7 5.6
16 2 4 0 14.087 28.175 3.16464 41.6 4.6 4.6 5.6
17 5 1 0 14.222 28.443 3.13538 27.6 3.1 3.1 5.6
18 2 0 2 14.356 28.712 3.10663 40.6 4.5 4.5 5.6
19 0 4 1 14.556 29.113 3.06476 75.3 8.3 8.4 5.6
20 0 2 2 14.753 29.505 3.02492 807.0 89.2 89.6 5.6
21 5 1 1 15.723 31.446 2.84246 101.4 11.2 11.2 5.6
22 2 2 2 15.785 31.57 2.83161 19.3 2.1 2.1 5.6
23 3 1 2 16.008 32.017 2.79312 53.6 5.9 5.9 5.6
24 1 5 0 16.488 32.976 2.714 98.8 10.9 10.9 5.6
25 1 3 2 16.722 33.444 2.67714 44.6 4.9 4.9 5.7
26 5 3 0 16.992 33.983 2.63585 904.6 100.0 100.0 5.7
27 4 4 0 17.126 34.252 2.61582 20.4 2.3 2.3 5.7
28 5 3 1 18.289 36.579 2.45456 11.2 1.2 1.2 5.7
29 4 2 2 18.575 37.149 2.41816 18.1 2.0 2.0 5.7
30 0 4 2 18.664 37.328 2.407 111.7 12.3 12.3 5.7
31 2 4 2 19.513 39.025 2.30612 15.3 1.7 1.7 5.7
32 5 1 2 19.614 39.227 2.29472 76.8 8.5 8.5 5.7
33 0 2 3 21.155 42.31 2.13435 83.9 9.3 9.2 5.7
34 6 4 0 21.346 42.692 2.11618 384.3 42.5 42.1 5.7
35 1 5 2 21.378 42.756 2.11314 33.2 3.7 3.6 5.7
36 5 5 0 21.598 43.195 2.09266 200.3 22.1 21.9 5.7
37 5 3 2 21.784 43.568 2.07562 83.6 9.2 9.2 5.7
38 2 2 3 21.923 43.847 2.06307 24.0 2.6 2.6 5.7
39 3 1 3 22.093 44.185 2.04804 10.4 1.2 1.1 5.7
40 6 4 1 22.429 44.858 2.01887 13.8 1.5 1.5 5.7
41 6 2 2 22.565 45.13 2.00735 13.3 1.5 1.5 5.7
42 1 3 3 22.641 45.281 2.00098 10.1 1.1 1.1 5.7
43 5 5 1 22.671 45.343 1.99841 40.0 4.4 4.4 5.7
44 0 6 2 23.968 47.936 1.89618 31.3 3.5 3.4 5.7
45 0 4 3 24.183 48.366 1.88034 88.8 9.8 9.7 5.7
46 5 5 2 25.682 51.363 1.77742 107.5 11.9 11.7 5.8
47 9 1 0 25.735 51.47 1.77398 29.5 3.3 3.2 5.8
48 7 5 0 25.873 51.746 1.76517 18.1 2.0 2.0 5.8
49 0 8 0 26.59 53.181 1.72087 48.9 5.4 5.3 5.8
50 4 6 2 26.683 53.365 1.71536 12.8 1.4 1.4 5.8
51 7 5 1 26.815 53.63 1.7075 54.5 6.0 5.9 5.8
52 6 6 1 27.147 54.294 1.68821 39.1 4.3 4.2 5.8
53 0 0 4 27.225 54.449 1.68375 333.4 36.9 36.0 5.8
54 5 7 0 27.318 54.637 1.67841 32.5 3.6 3.5 5.8
55 6 2 3 27.461 54.921 1.67038 28.2 3.1 3.0 5.8
56 9 3 0 27.526 55.052 1.66673 12.5 1.4 1.4 5.8
57 5 7 1 28.227 56.455 1.6286 16.0 1.8 1.7 5.8
58 10 0 0 28.583 57.166 1.61 95.3 10.5 10.3 5.8
59 9 1 2 29.392 58.783 1.56951 11.0 1.2 1.2 5.8
60 6 6 2 29.829 59.659 1.54856 174.7 19.3 18.7 5.8
61 7 3 3 30.53 61.061 1.51631 18.7 2.1 2.0 5.8
62 0 4 4 30.616 61.233 1.51246 10.6 1.2 1.1 5.8
63 5 7 2 30.849 61.698 1.50217 456.1 50.4 48.8 5.8
64 9 3 2 31.042 62.083 1.49377 34.9 3.9 3.7 5.8
65 1 9 1 31.238 62.476 1.48532 24.0 2.7 2.6 5.8
66 8 2 3 31.74 63.48 1.46424 9.8 1.1 1.0 5.9
67 11 1 0 31.954 63.909 1.45543 108.5 12.0 11.6 5.9
68 10 0 2 32.026 64.052 1.45253 24.8 2.7 2.6 5.9
69 1 5 4 32.573 65.145 1.43077 22.3 2.5 2.4 5.9
70 10 4 1 32.713 65.426 1.4253 9.2 1.0 1.0 5.9
71 11 1 1 32.783 65.566 1.4226 9.6 1.1 1.0 5.9
72 10 2 2 32.819 65.637 1.42123 36.9 4.1 3.9 5.9
73 5 3 4 32.878 65.756 1.41895 230.3 25.5 24.5 5.9
74 7 5 3 33.718 67.437 1.38761 25.7 2.8 2.7 5.9
75 5 9 0 33.883 67.765 1.38169 36.5 4.0 3.9 5.9
76 6 6 3 34.008 68.016 1.3772 30.2 3.3 3.2 5.9
77 0 8 3 34.332 68.664 1.36578 11.8 1.3 1.3 5.9
78 0 6 4 34.572 69.144 1.35747 34.6 3.8 3.7 5.9
79 0 10 1 34.826 69.651 1.34881 19.0 2.1 2.0 5.9
80 5 7 3 34.961 69.921 1.34426 36.5 4.0 3.9 5.9
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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