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 ***
***********************
VERPLANCKITE
1, f-verplanckite, DN
Ba(2)(Mn'',Ti,Fe'')Si(2)O(6)(O,OH,Cl)(1.9)
Hexagonal P 6/mmm Z = 6
P6/mmm
14 .1 .1908
Ref.Str.:
Kampf A.R., Khan A.A., Baur W.H. (1973)
* Acta Cryst., B29, 2019-2021
Reserv:
From Big Creek, Fresno County, California, USA.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.398 alpha = 90.0
b = 16.398 beta = 90.0
c = 7.2 gamma = 120.0
Unit cell volume (cub. angs.) = 1676.66
Molar volume ( cub.cm/mol.) = 168.32
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3484 0.0 0.0 0.0 Ba = 1.00
2 0.2164 0.4328 0.5 0.0 Ba = 1.00
3 0.2606 0.5212 0.0 0.0 Mn = 0.69, Ti = 0.26, Fe = 0.05
4 0.444 0.888 0.274 0.0 Si = 1.00
5 0.16 0.499 0.197 0.0 O = 1.00
6 0.5 0.0 0.206 0.0 O = 1.00
7 0.441 0.882 0.5 0.0 O = 1.00
8 0.3333 0.6667 0.0 0.0 O = 0.5 , OH = 0.5
9 0.3333 0.6667 0.5 0.0 Cl = 1.00
10 0.142 0.284 0.118 0.0 Cl = 0.3 , Cl = 0.0
11 0.301 0.0 0.5 0.0 Cl = 0.6 , Cl = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3484 0.0 0.0
2 2 0.2164 0.4328 0.5
3 3 0.2606 0.5212 0.0
4 4 0.444 0.888 0.274
5 5 0.16 0.499 0.197
6 6 0.5 0.0 0.206
7 7 0.441 0.882 0.5
8 8 0.3333 0.6667 0.0
9 9 0.3333 0.6667 0.5
10 10 0.142 0.284 0.118
11 11 0.301 0.0 0.5
12 1 0.0 0.3484 0.0
13 1 0.6516 0.6516 0.0
14 2 0.5672 0.7836 0.5
15 2 0.2164 0.7836 0.5
16 3 0.4788 0.7394 0.0
17 3 0.2606 0.7394 0.0
18 4 0.112 0.556 0.274
19 4 0.444 0.556 0.274
20 5 0.501 0.661 0.197
21 5 0.339 0.84 0.197
22 6 0.0 0.5 0.206
23 6 0.5 0.5 0.206
24 7 0.118 0.559 0.5
25 7 0.441 0.559 0.5
26 10 0.716 0.858 0.118
27 10 0.142 0.858 0.118
28 11 0.0 0.301 0.5
29 11 0.699 0.699 0.5
30 1 0.6516 0.0 0.0
31 2 0.7836 0.5672 0.5
32 3 0.7394 0.4788 0.0
33 4 0.556 0.112 0.274
34 5 0.84 0.501 0.197
35 7 0.559 0.118 0.5
36 8 0.6667 0.3333 0.0
37 9 0.6667 0.3333 0.5
38 10 0.858 0.716 0.118
39 11 0.699 0.0 0.5
40 1 0.0 0.6516 0.0
41 1 0.3484 0.3484 0.0
42 2 0.4328 0.2164 0.5
43 2 0.7836 0.2164 0.5
44 3 0.5212 0.2606 0.0
45 3 0.7394 0.2606 0.0
46 4 0.888 0.444 0.274
47 4 0.556 0.444 0.274
48 5 0.499 0.339 0.197
49 5 0.661 0.16 0.197
50 7 0.882 0.441 0.5
51 7 0.559 0.441 0.5
52 10 0.284 0.142 0.118
53 10 0.858 0.142 0.118
54 11 0.0 0.699 0.5
55 11 0.301 0.301 0.5
56 5 0.16 0.661 0.197
57 5 0.501 0.84 0.197
58 5 0.339 0.499 0.197
59 5 0.84 0.339 0.197
60 5 0.499 0.16 0.197
61 5 0.661 0.501 0.197
62 4 0.444 0.888 0.726
63 5 0.16 0.499 0.803
64 6 0.5 0.0 0.794
65 10 0.142 0.284 0.882
66 4 0.112 0.556 0.726
67 4 0.444 0.556 0.726
68 5 0.501 0.661 0.803
69 5 0.339 0.84 0.803
70 6 0.0 0.5 0.794
71 6 0.5 0.5 0.794
72 10 0.716 0.858 0.882
73 10 0.142 0.858 0.882
74 4 0.556 0.112 0.726
75 5 0.84 0.501 0.803
76 10 0.858 0.716 0.882
77 4 0.888 0.444 0.726
78 4 0.556 0.444 0.726
79 5 0.499 0.339 0.803
80 5 0.661 0.16 0.803
81 10 0.284 0.142 0.882
82 10 0.858 0.142 0.882
83 5 0.16 0.661 0.803
84 5 0.501 0.84 0.803
85 5 0.339 0.499 0.803
86 5 0.84 0.339 0.803
87 5 0.499 0.16 0.803
88 5 0.661 0.501 0.803
X-ray density (g/cm cub.) = 3.21
MU (1/cm) = 872.646 Mass attenuation coefficient (cm**2/g) = 272.094
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.828 12
2.8948 6
3.683 11
3.683 11
2.9181 5
3.1173 10
3.1175 10
2.918 5
2.8948 6
2.9181 5
3.1173 10
3.1175 10
2.918 5
2 Ba 3.828 11
2.7923 5
3.3212 9
3.4684 10
3.1976 7
3.1978 7
3.0974 11
3.0973 11
2.7924 5
2.7923 5
3.4684 10
2.7924 5
3 Mn ,Ti ,Fe 3.264 5
2.0652 5
2.0658 8
2.0653 5
2.0652 5
2.0653 5
4 Si 2.64 4
1.6642 6
1.6294 7
1.5924 5
1.5924 5
5 O 3.804 9
3.1361 8
3.5472 9
3.4351 10
2.6326 6
2.6228 7
3.6969 11
2.6565 5
2.9353 5
2.8368 5
6 O 3.804 7
2.6998 7
2.6326 5
2.6998 7
2.6326 5
2.6326 5
2.6326 5
2.9664 6
7 O 3.804 10
2.6998 6
3.0579 9
3.6683 11
2.6228 5
3.3515 7
3.6683 11
2.6228 5
2.6998 6
2.6228 5
2.6228 5
8 O ,OH 3.852 14
3.1361 5
3.6 9
3.6 9
3.1363 5
3.136 5
3.136 5
3.1362 5
3.1361 5
3.1361 5
3.1363 5
3.136 5
3.136 5
3.1362 5
3.1361 5
9 Cl 4.344 17
3.5472 5
3.0579 7
3.6 8
3.6 8
3.5473 5
3.5471 5
3.0579 7
3.0582 7
3.5471 5
3.5473 5
3.5472 5
3.5472 5
3.5473 5
3.5471 5
3.5471 5
3.5473 5
3.5472 5
10 Cl ,Cl 4.344 9
3.4351 5
3.7031 11
4.033 10
4.0332 10
3.7031 11
3.4352 5
4.0768 5
1.6992 10
4.0769 5
11 Cl ,Cl 4.344 12
3.8896 6
3.6683 7
3.6969 5
3.7031 10
3.6683 7
3.7033 10
3.6967 5
3.8896 6
3.6969 5
3.7031 10
3.7033 10
3.6967 5
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 1 0 0 3.611 7.222 0.035 501.15 6 279.5 8354.9
2 1 1 0 6.263 12.526 0.061 165.08 6 97.2 333.1
3 0 0 1 7.136 14.273 0.069 126.63 2 108.6 106.3
4 2 0 0 7.237 14.474 0.07 123.08 6 29.1 22.3
5 1 0 1 8.006 16.013 0.078 100.14 12 2.0 0.2
6 1 1 1 9.517 19.033 0.092 70.24 12 71.0 151.3
7 2 1 0 9.593 19.185 0.093 69.1 12 146.4 632.5
8 2 0 1 10.191 20.381 0.099 60.98 12 89.9 210.5
9 3 0 0 10.892 21.784 0.106 53.12 6 29.0 9.5
10 2 1 1 11.997 23.993 0.116 43.41 24 122.6 557.2
11 2 2 0 12.603 25.205 0.122 39.15 6 125.8 132.3
12 3 0 1 13.07 26.139 0.126 36.25 12 346.2 1855.2
13 3 1 0 13.126 26.252 0.127 35.92 12 53.0 43.1
14 0 0 2 14.386 28.773 0.139 29.57 2 554.9 647.7
15 2 2 1 14.541 29.082 0.14 28.9 12 190.3 446.7
16 4 0 0 14.592 29.185 0.141 28.69 6 150.0 137.8
17 1 0 2 14.852 29.704 0.143 27.63 12 37.1 16.2
18 3 1 1 15.002 30.004 0.145 27.04 24 2.3 0.1
19 1 1 2 15.745 31.49 0.152 24.37 12 93.2 90.3
20 3 2 0 15.935 31.87 0.153 23.75 12 31.7 10.2
21 2 0 2 16.175 32.35 0.156 22.99 12 235.8 545.8
22 4 0 1 16.314 32.628 0.157 22.57 12 69.9 47.1
23 4 1 0 16.776 33.553 0.161 21.24 12 143.9 187.9
24 2 1 2 17.408 34.816 0.167 19.6 24 175.0 512.3
25 3 2 1 17.538 35.077 0.168 19.28 24 258.6 1101.3
26 3 0 2 18.189 36.378 0.174 17.81 12 278.1 587.7
27 4 1 1 18.315 36.629 0.176 17.54 24 179.9 484.7
28 5 0 0 18.356 36.713 0.176 17.45 6 93.3 32.4
29 3 3 0 19.104 38.208 0.183 15.98 6 685.5 1602.7
30 2 2 2 19.309 38.618 0.185 15.61 12 83.0 45.9
31 4 2 0 19.468 38.937 0.186 15.33 12 159.1 165.6
32 3 1 2 19.67 39.341 0.188 14.98 24 225.0 647.4
33 5 0 1 19.788 39.576 0.189 14.78 12 182.4 209.9
34 3 3 1 20.491 40.983 0.196 13.68 12 120.2 84.3
35 5 1 0 20.529 41.059 0.196 13.62 12 16.1 1.5
36 4 0 2 20.723 41.446 0.198 13.34 12 157.6 141.4
37 4 2 1 20.836 41.671 0.199 13.18 24 19.4 4.2
38 3 2 2 21.733 43.466 0.207 11.99 24 11.3 1.3
39 5 1 1 21.842 43.683 0.208 11.85 24 155.3 244.0
40 0 0 3 21.882 43.763 0.208 11.81 2 90.2 6.8
41 6 0 0 22.204 44.409 0.211 11.42 6 228.4 127.1
42 1 0 3 22.208 44.417 0.211 11.42 12 19.3 1.8
43 4 1 2 22.386 44.772 0.213 11.21 24 159.7 244.0
44 4 3 0 22.527 45.055 0.214 11.06 12 118.6 66.4
45 1 1 3 22.851 45.701 0.217 10.71 12 57.8 15.3
46 5 2 0 23.163 46.325 0.22 10.38 12 129.8 74.6
47 2 0 3 23.167 46.333 0.22 10.38 12 102.6 46.6
48 6 0 1 23.441 46.882 0.222 10.11 12 361.0 562.3
49 5 0 2 23.649 47.299 0.224 9.9 12 248.6 261.4
50 4 3 1 23.751 47.502 0.225 9.81 24 77.4 50.1
51 2 1 3 24.095 48.19 0.228 9.49 24 122.0 120.6
52 3 3 2 24.262 48.524 0.23 9.35 12 504.2 1014.2
53 5 2 1 24.362 48.723 0.231 9.26 24 72.2 41.2
54 6 1 0 24.395 48.79 0.231 9.23 12 39.8 6.2
55 4 2 2 24.564 49.128 0.232 9.09 24 112.9 98.9
56 3 0 3 24.699 49.399 0.234 8.97 12 351.2 472.5
57 5 1 2 25.454 50.908 0.24 8.38 24 33.7 8.1
58 6 1 1 25.55 51.1 0.241 8.31 24 158.0 177.0
59 2 2 3 25.586 51.172 0.241 8.28 12 165.9 97.3
60 4 4 0 25.873 51.746 0.244 8.07 6 72.5 9.1
61 3 1 3 25.876 51.753 0.244 8.07 24 11.0 0.8
62 5 3 0 26.161 52.322 0.246 7.87 12 11.9 0.5
63 7 0 0 26.161 52.322 0.246 7.87 6 52.3 4.6
64 4 0 3 26.735 53.469 0.251 7.49 12 74.2 17.6
65 6 0 2 26.89 53.779 0.253 7.4 12 43.5 6.0
66 4 4 1 26.982 53.964 0.254 7.34 12 2.5 0.0
67 6 2 0 27.013 54.026 0.254 7.32 12 202.9 128.6
68 4 3 2 27.17 54.341 0.255 7.22 24 45.4 12.7
69 5 3 1 27.262 54.525 0.256 7.17 24 154.6 146.3
70 7 0 1 27.262 54.525 0.256 7.17 12 20.2 1.3
71 3 2 3 27.574 55.149 0.259 6.98 24 149.5 133.2
72 5 2 2 27.726 55.452 0.26 6.9 24 120.6 85.7
73 6 2 1 28.091 56.182 0.263 6.7 24 97.0 53.8
74 4 1 3 28.125 56.249 0.264 6.68 24 169.7 164.2
75 7 1 0 28.394 56.788 0.266 6.54 12 39.8 4.4
76 6 1 2 28.816 57.632 0.269 6.32 24 75.0 30.4
77 5 0 3 29.205 58.41 0.273 6.13 12 95.1 23.7
78 7 1 1 29.438 58.877 0.275 6.02 24 170.2 149.0
79 5 4 0 29.468 58.935 0.275 6.01 12 53.9 7.4
80 3 3 3 29.735 59.471 0.277 5.89 12 0.3 0.0
81 0 0 4 29.797 59.593 0.278 5.86 2 749.4 234.2
82 6 3 0 29.995 59.991 0.279 5.78 12 67.7 11.3
83 4 2 3 29.999 59.997 0.279 5.77 24 22.4 2.5
84 1 0 4 30.059 60.119 0.28 5.75 12 162.5 64.8
85 4 4 2 30.142 60.285 0.281 5.71 12 35.4 3.1
86 8 0 0 30.257 60.514 0.282 5.66 6 81.2 8.0
87 5 3 2 30.403 60.807 0.283 5.6 24 111.6 59.6
88 7 0 2 30.403 60.807 0.283 5.6 12 122.8 36.1
89 5 4 1 30.489 60.978 0.284 5.57 24 134.7 86.2
90 1 1 4 30.581 61.162 0.284 5.53 12 66.6 10.5
91 5 1 3 30.78 61.56 0.286 5.45 24 234.6 256.1
92 2 0 4 30.84 61.68 0.287 5.43 12 29.1 2.0
93 6 3 1 31.006 62.013 0.288 5.36 24 336.8 519.6
94 7 2 0 31.035 62.069 0.288 5.35 12 38.9 3.5
95 6 2 2 31.179 62.358 0.289 5.3 24 169.6 130.2
96 8 0 1 31.263 62.527 0.29 5.27 12 328.3 242.4
97 2 1 4 31.609 63.218 0.293 5.14 24 125.2 68.8
98 7 2 1 32.027 64.053 0.296 5.0 24 20.2 1.7
99 6 0 3 32.057 64.115 0.297 4.99 12 136.8 39.8
100 3 0 4 32.116 64.232 0.297 4.97 12 102.2 22.2
101 4 3 3 32.31 64.619 0.299 4.9 24 89.0 33.1
102 7 1 2 32.447 64.895 0.3 4.86 24 40.4 6.8
103 8 1 0 32.558 65.115 0.301 4.82 12 166.8 57.3
104 5 2 3 32.811 65.621 0.303 4.74 24 51.4 10.7
105 2 2 4 32.869 65.737 0.303 4.72 12 121.0 29.5
106 5 5 0 33.057 66.113 0.305 4.67 6 133.7 17.8
107 3 1 4 33.117 66.235 0.305 4.65 24 84.5 28.4
108 6 4 0 33.305 66.61 0.307 4.59 12 76.7 11.5
109 5 4 2 33.444 66.887 0.308 4.55 24 48.0 8.9
110 8 1 1 33.525 67.05 0.309 4.53 24 85.2 28.1
111 6 1 3 33.801 67.603 0.311 4.45 24 125.5 59.9
112 4 0 4 33.858 67.717 0.311 4.44 12 134.6 34.3
113 6 3 2 33.936 67.872 0.312 4.42 24 235.0 208.2
114 5 5 1 34.017 68.034 0.313 4.39 12 52.1 5.1
115 7 3 0 34.044 68.088 0.313 4.39 12 57.6 6.2
116 8 0 2 34.181 68.362 0.314 4.35 12 56.7 6.0
117 6 4 1 34.262 68.523 0.315 4.33 24 66.0 16.1
118 9 0 0 34.532 69.064 0.317 4.26 6 431.3 169.2
119 3 2 4 34.591 69.183 0.317 4.24 24 74.7 20.2
120 7 2 2 34.911 69.822 0.32 4.17 24 144.1 73.9
121 7 3 1 34.991 69.981 0.321 4.15 24 155.8 86.0
122 4 4 3 35.02 70.041 0.321 4.14 12 24.8 1.1
123 4 1 4 35.076 70.153 0.321 4.13 24 119.0 49.9
124 8 2 0 35.259 70.518 0.323 4.08 12 131.2 30.0
125 5 3 3 35.262 70.523 0.323 4.08 24 181.4 114.7
126 7 0 3 35.262 70.523 0.323 4.08 12 16.0 0.4
127 9 0 1 35.473 70.946 0.324 4.03 12 145.1 36.2
128 6 2 3 35.982 71.964 0.328 3.92 24 122.6 50.4
129 5 0 4 36.037 72.075 0.329 3.91 12 156.4 40.8
130 8 2 1 36.192 72.383 0.33 3.88 24 90.3 27.0
131 8 1 2 36.351 72.703 0.331 3.85 24 82.3 22.2
132 3 3 4 36.514 73.028 0.333 3.81 12 543.3 480.5
133 4 2 4 36.751 73.502 0.334 3.77 24 121.4 47.4
134 5 5 2 36.826 73.653 0.335 3.75 12 74.0 8.8
135 6 5 0 36.93 73.86 0.336 3.73 12 113.5 20.5
136 9 1 0 36.93 73.86 0.336 3.73 12 46.9 3.5
137 6 4 2 37.063 74.126 0.337 3.71 24 206.3 134.7
138 7 1 3 37.169 74.339 0.338 3.69 24 171.1 92.2
139 7 4 0 37.402 74.805 0.34 3.65 12 24.7 0.9
140 5 1 4 37.46 74.92 0.34 3.64 24 26.9 2.2
141 7 3 2 37.769 75.539 0.342 3.58 24 29.3 2.6
142 6 5 1 37.847 75.693 0.343 3.57 24 181.2 100.0
143 9 1 1 37.847 75.693 0.343 3.57 24 23.0 1.6
144 5 4 3 38.11 76.219 0.345 3.53 24 178.3 95.7
145 9 0 2 38.238 76.476 0.346 3.51 12 309.5 143.3
146 7 4 1 38.315 76.63 0.347 3.49 24 106.5 33.8
147 8 3 0 38.34 76.681 0.347 3.49 12 284.0 120.2
148 0 0 5 38.4 76.801 0.347 3.48 2 34.2 0.3
149 6 3 3 38.577 77.153 0.349 3.45 24 327.1 315.4
150 6 0 4 38.631 77.262 0.349 3.44 12 73.3 7.9
151 1 0 5 38.634 77.267 0.349 3.44 12 18.0 0.5
152 8 0 3 38.81 77.619 0.35 3.42 12 221.6 71.6
153 4 3 4 38.864 77.727 0.351 3.41 24 75.6 16.6
154 8 2 2 38.937 77.875 0.351 3.4 24 87.7 22.3
155 10 0 0 39.039 78.079 0.352 3.38 6 100.1 7.2
156 1 1 5 39.099 78.198 0.353 3.38 12 40.4 2.4
157 8 3 1 39.246 78.492 0.354 3.35 24 50.7 7.4
158 5 2 4 39.328 78.656 0.354 3.34 24 87.9 22.1
159 2 0 5 39.331 78.662 0.354 3.34 12 81.4 9.4
160 7 2 3 39.506 79.012 0.356 3.32 24 61.0 10.5
161 9 2 0 39.735 79.469 0.357 3.29 12 37.5 2.0
162 10 0 1 39.94 79.88 0.359 3.26 12 167.6 39.1
163 2 1 5 40.025 80.049 0.36 3.25 24 70.6 13.8
164 6 1 4 40.252 80.505 0.361 3.22 24 16.0 0.7
165 3 0 5 40.486 80.971 0.363 3.2 12 278.6 105.9
166 6 5 2 40.556 81.111 0.363 3.19 24 22.8 1.4
167 9 1 2 40.556 81.111 0.363 3.19 24 3.0 0.0
168 9 2 1 40.631 81.263 0.364 3.18 24 155.4 65.5
169 6 6 0 40.886 81.773 0.366 3.15 6 557.3 208.8
170 8 1 3 40.889 81.779 0.366 3.15 24 69.0 12.8
171 7 4 2 41.015 82.031 0.367 3.14 24 31.0 2.6
172 7 5 0 41.116 82.232 0.368 3.13 12 211.1 59.5
173 2 2 5 41.175 82.35 0.368 3.12 12 185.9 46.0
174 5 5 3 41.348 82.696 0.369 3.1 12 106.9 15.1
175 4 4 4 41.401 82.802 0.37 3.1 12 54.8 4.0
176 3 1 5 41.404 82.808 0.37 3.1 24 24.3 1.6
177 10 1 0 41.574 83.149 0.371 3.08 12 101.8 13.6
178 6 4 3 41.577 83.154 0.371 3.08 24 42.5 4.8
179 5 3 4 41.63 83.26 0.371 3.07 24 6.0 0.1
180 7 0 4 41.63 83.26 0.371 3.07 12 89.5 10.5
181 6 6 1 41.778 83.556 0.372 3.06 12 44.8 2.6
182 8 4 0 41.803 83.606 0.373 3.06 12 31.2 1.3
183 8 3 2 41.931 83.863 0.374 3.04 24 302.1 237.3
184 7 5 1 42.007 84.013 0.374 3.04 24 16.1 0.7
185 4 0 5 42.09 84.181 0.375 3.03 12 21.4 0.6
186 7 3 3 42.263 84.526 0.376 3.01 24 155.9 62.6
187 6 2 4 42.316 84.632 0.376 3.01 24 170.0 74.3
188 10 1 1 42.463 84.927 0.377 3.0 24 47.9 5.9
189 10 0 2 42.617 85.233 0.378 2.98 12 28.0 1.0
190 8 4 1 42.692 85.383 0.379 2.98 24 92.4 21.7
191 9 0 3 42.719 85.439 0.379 2.98 12 25.6 0.8
192 3 2 5 42.775 85.55 0.38 2.97 24 165.0 69.1
193 9 3 0 42.945 85.889 0.381 2.96 12 10.9 0.1
194 4 1 5 43.231 86.462 0.383 2.94 24 120.0 36.1
195 9 2 2 43.3 86.6 0.383 2.93 24 85.4 18.3
196 8 2 3 43.403 86.806 0.384 2.92 24 51.7 6.7
197 7 1 4 43.456 86.911 0.384 2.92 24 55.4 7.7
198 9 3 1 43.83 87.661 0.387 2.9 24 212.6 111.7
199 11 0 0 43.855 87.71 0.387 2.89 6 72.0 3.2
200 5 0 5 44.141 88.282 0.389 2.88 12 121.6 18.2
201 5 4 4 44.366 88.731 0.391 2.86 24 0.2 0.0
202 6 6 2 44.438 88.875 0.391 2.86 12 212.3 55.0
203 10 2 0 44.537 89.075 0.392 2.85 12 0.0 0.0
204 3 3 5 44.596 89.191 0.392 2.85 12 155.5 29.4
205 7 5 2 44.665 89.33 0.393 2.85 24 76.8 14.3
206 11 0 1 44.74 89.48 0.393 2.84 12 233.7 66.2
207 6 3 4 44.82 89.64 0.394 2.84 24 100.5 24.5
208 4 2 5 44.823 89.646 0.394 2.84 24 48.8 5.8
209 6 5 3 44.995 89.99 0.395 2.83 24 191.7 88.7
210 9 1 3 44.995 89.99 0.395 2.83 24 7.2 0.1
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 0 3.611 7.222 14.20109 8354.9 100.0 100.0 5.5
2 1 1 0 6.263 12.526 8.199 333.1 4.0 4.0 5.6
3 0 0 1 7.136 14.273 7.2 106.3 1.3 1.3 5.6
4 1 1 1 9.517 19.033 5.41008 151.3 1.8 1.8 5.6
5 2 1 0 9.593 19.185 5.36751 632.5 7.6 7.5 5.6
6 2 0 1 10.191 20.381 5.05564 210.5 2.5 2.5 5.6
7 2 1 1 11.997 23.993 4.30331 557.2 6.7 6.6 5.6
8 2 2 0 12.603 25.205 4.0995 132.3 1.6 1.6 5.6
9 3 0 1 13.07 26.139 3.9554 1855.2 22.2 21.9 5.6
10 0 0 2 14.386 28.773 3.6 647.7 7.8 7.6 5.6
11 2 2 1 14.541 29.082 3.56251 446.7 5.3 5.3 5.6
12 4 0 0 14.592 29.185 3.55027 137.8 1.6 1.6 5.6
13 1 1 2 15.745 31.49 3.29625 90.3 1.1 1.1 5.6
14 2 0 2 16.175 32.35 3.21089 545.8 6.5 6.4 5.6
15 4 1 0 16.776 33.553 3.09893 187.9 2.2 2.2 5.7
16 2 1 2 17.408 34.816 2.9898 512.3 6.1 6.0 5.7
17 3 2 1 17.538 35.077 2.96822 1101.3 13.2 12.9 5.7
18 3 0 2 18.189 36.378 2.86549 587.7 7.0 6.9 5.7
19 4 1 1 18.315 36.629 2.84647 484.7 5.8 5.7 5.7
20 3 3 0 19.104 38.208 2.733 1602.7 19.2 18.8 5.7
21 4 2 0 19.468 38.937 2.68375 165.6 2.0 1.9 5.7
22 3 1 2 19.67 39.341 2.65726 647.4 7.7 7.6 5.7
23 5 0 1 19.788 39.576 2.64208 209.9 2.5 2.5 5.7
24 3 3 1 20.491 40.983 2.55512 84.3 1.0 1.0 5.7
25 4 0 2 20.723 41.446 2.52782 141.4 1.7 1.6 5.7
26 5 1 1 21.842 43.683 2.40419 244.0 2.9 2.8 5.7
27 6 0 0 22.204 44.409 2.36685 129.0 1.5 1.5 5.7
28 4 1 2 22.386 44.772 2.34862 244.0 2.9 2.8 5.7
29 5 2 0 23.163 46.325 2.27399 121.2 1.5 1.4 5.7
30 6 0 1 23.441 46.882 2.24848 562.3 6.7 6.5 5.7
31 5 0 2 23.649 47.299 2.22981 261.4 3.1 3.0 5.7
32 2 1 3 24.095 48.19 2.19095 120.6 1.4 1.4 5.7
33 3 3 2 24.262 48.524 2.17678 1014.2 12.1 11.7 5.7
34 4 2 2 24.564 49.128 2.15165 98.9 1.2 1.1 5.7
35 3 0 3 24.699 49.399 2.1406 472.5 5.7 5.5 5.7
36 6 1 1 25.55 51.1 2.07386 177.0 2.1 2.0 5.8
37 2 2 3 25.586 51.172 2.07117 97.3 1.2 1.1 5.8
38 6 2 0 27.013 54.026 1.96934 128.6 1.5 1.5 5.8
39 5 3 1 27.262 54.525 1.95269 147.6 1.8 1.7 5.8
40 3 2 3 27.574 55.149 1.9323 133.2 1.6 1.5 5.8
41 5 2 2 27.726 55.452 1.92256 85.7 1.0 1.0 5.8
42 4 1 3 28.125 56.249 1.89749 164.2 2.0 1.9 5.8
43 7 1 1 29.438 58.877 1.8199 149.0 1.8 1.7 5.8
44 0 0 4 29.797 59.593 1.8 234.2 2.8 2.7 5.8
45 5 3 2 30.403 60.807 1.76741 95.7 1.1 1.1 5.8
46 5 4 1 30.489 60.978 1.76292 86.2 1.0 1.0 5.8
47 5 1 3 30.78 61.56 1.74787 256.1 3.1 2.9 5.8
48 6 3 1 31.006 62.013 1.73636 523.1 6.3 5.9 5.8
49 6 2 2 31.179 62.358 1.72772 130.2 1.6 1.5 5.8
50 8 0 1 31.263 62.527 1.72353 242.4 2.9 2.8 5.8
51 6 3 2 33.936 67.872 1.6022 208.2 2.5 2.3 5.9
52 9 0 0 34.532 69.064 1.5779 169.2 2.0 1.9 5.9
53 7 3 1 34.991 69.981 1.5598 87.1 1.0 1.0 5.9
54 5 3 3 35.262 70.523 1.54935 145.1 1.7 1.6 5.9
55 3 3 4 36.514 73.028 1.50325 480.5 5.8 5.4 6.0
56 6 4 2 37.063 74.126 1.48411 134.7 1.6 1.5 6.0
57 7 1 3 37.169 74.339 1.48047 92.2 1.1 1.0 6.0
58 6 5 1 37.847 75.693 1.45784 101.7 1.2 1.1 6.0
59 5 4 3 38.11 76.219 1.4493 95.7 1.1 1.1 6.0
60 9 0 2 38.238 76.476 1.44518 143.3 1.7 1.6 6.0
61 8 3 0 38.34 76.681 1.4419 154.0 1.8 1.7 6.0
62 6 3 3 38.577 77.153 1.43444 315.4 3.8 3.5 6.0
63 3 0 5 40.486 80.971 1.37767 105.9 1.3 1.2 6.1
64 6 6 0 40.886 81.773 1.3665 221.6 2.7 2.4 6.1
65 8 3 2 41.931 83.863 1.33853 237.3 2.8 2.6 6.1
66 9 3 1 43.83 87.661 1.29159 114.9 1.4 1.2 6.2
67 6 5 3 44.995 89.99 1.26507 88.8 1.1 1.0 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)
|