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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BARITOLAMPROPHYLLITE
4, t-lamprophyllite, f-lamprophyllite, s-lamprophyllite
(Ba,Sr,K,Na)(2)Na(Na,Mn,Fe,Ca)(2)Ti(3)O(2)[Si(2)O(7)](2)(OH)(2)
Monoclinic C 2/m Z = 2
R =0.0293 NR =1417
4 .12 .25
Ref.Str.:
S.M. Aksenov, A.D. Ryanskaya, Y.V. Shchapova, N.V. Chukanov,
N.V. Vladykin, S.L. Votyakov, R.K. Rastsvetaeva (2021)
* Acta Cryst., B77, 287-298, doi.org/10.1107/S2052520621000354
L: $Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 Si4 Sr0.27
Ti2.53 O18 H2$
R: Locality - Gordon Butte pegmatite, USA. Sample 17-11.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 19.8574 alpha = 90.0
b = 7.1034 beta = 96.61
c = 5.4063 gamma = 90.0
Unit cell volume (cub. angs.) = 757.52
Molar volume ( cub.cm/mol.) = 228.14
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2826 0.0 0.2628 0.0 Ba = 0.57, Sr = 0.14, K = 0.2 , Na = 0.09
2 0.3537 0.5 0.2947 0.0 Ti = 1.00
3 0.5 0.5 0.0 0.0 Na = 1.00
4 0.0 0.2605 0.5 0.0 Na = 0.76, Mn = 0.06, Fe = 0.09, Ca = 0.09
5 0.0 0.5 0.0 0.0 Ti = 0.53, Fe = 0.35, Mg = 0.12
6 0.3605 0.7837 0.7969 0.0 Si = 1.00
7 0.3291 0.6883 0.5357 0.0 O = 1.00
8 0.4394 0.5 0.3232 0.0 O = 1.00
9 0.3291 0.6868 0.0304 0.0 O = 1.00
10 0.3281 0.0 0.782 0.0 O = 1.00
11 0.4417 0.7935 0.8278 0.0 O = 1.00
12 0.9436 0.5 0.2734 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2826 0.0 0.2628
2 2 0.3537 0.5 0.2947
3 3 0.5 0.5 0.0
4 4 0.0 0.2605 0.5
5 5 0.0 0.5 0.0
6 6 0.3605 0.7837 0.7969
7 7 0.3291 0.6883 0.5357
8 8 0.4394 0.5 0.3232
9 9 0.3291 0.6868 0.0304
10 10 0.3281 0.0 0.782
11 11 0.4417 0.7935 0.8278
12 12 0.9436 0.5 0.2734
13 1 0.7174 0.0 0.7372
14 2 0.6463 0.5 0.7053
15 4 0.0 0.7395 0.5
16 6 0.6395 0.2163 0.2031
17 7 0.6709 0.3117 0.4643
18 8 0.5606 0.5 0.6768
19 9 0.6709 0.3132 0.9696
20 10 0.6719 0.0 0.218
21 11 0.5583 0.2065 0.1722
22 12 0.0564 0.5 0.7266
23 6 0.3605 0.2163 0.7969
24 7 0.3291 0.3117 0.5357
25 9 0.3291 0.3132 0.0304
26 11 0.4417 0.2065 0.8278
27 6 0.6395 0.7837 0.2031
28 7 0.6709 0.6883 0.4643
29 9 0.6709 0.6868 0.9696
30 11 0.5583 0.7935 0.1722
31 1 0.7826 0.5 0.2628
32 2 0.8537 0.0 0.2947
33 3 0.0 0.0 0.0
34 4 0.5 0.2395 0.5
35 5 0.5 0.0 0.0
36 6 0.8605 0.7163 0.7969
37 7 0.8291 0.8117 0.5357
38 8 0.9394 0.0 0.3232
39 9 0.8291 0.8132 0.0304
40 10 0.8281 0.5 0.782
41 11 0.9417 0.7065 0.8278
42 12 0.4436 0.0 0.2734
43 1 0.2174 0.5 0.7372
44 2 0.1463 0.0 0.7053
45 4 0.5 0.7605 0.5
46 6 0.1395 0.2837 0.2031
47 7 0.1709 0.1883 0.4643
48 8 0.0606 0.0 0.6768
49 9 0.1709 0.1868 0.9696
50 10 0.1719 0.5 0.218
51 11 0.0582 0.2935 0.1722
52 12 0.5564 0.0 0.7266
53 6 0.8605 0.2837 0.7969
54 7 0.8291 0.1883 0.5357
55 9 0.8291 0.1868 0.0304
56 11 0.9417 0.2935 0.8278
57 6 0.1395 0.7163 0.2031
58 7 0.1709 0.8117 0.4643
59 9 0.1709 0.8132 0.9696
60 11 0.0582 0.7065 0.1722
X-ray density (g/cm cub.) = 3.63
MU (1/cm) = 614.969 Mass attenuation coefficient (cm**2/g) = 169.228
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba ,Sr ,K ,Na 3.336 11
2.7601 7
2.7657 9
2.8482 10
2.8484 10
2.7601 7
2.7657 9
3.1907 12
2.9078 7
2.8963 9
2.9078 7
2.8963 9
2 Ti 2.616 5
1.9681 7
1.6896 8
1.9697 9
1.9681 7
1.9697 9
3 Na 2.856 6
2.233 8
2.5106 11
2.233 8
2.5106 11
2.5106 11
2.5106 11
4 Na ,Mn ,Fe ,Ca 2.928 6
2.3093 12
2.3093 12
2.3499 8
2.3499 8
2.2373 11
2.2373 11
5 Ti ,Fe ,Mg 2.64 6
1.9544 12
1.9544 12
2.0269 11
2.0269 11
2.0269 11
2.0269 11
6 Si 2.148 4
1.6245 7
1.6238 9
1.6639 10
1.6041 11
7 O 3.312 7
2.9125 8
2.6744 9
2.7319 9
2.5849 10
2.6911 11
2.6751 7
3.2418 7
8 O 3.312 5
2.9125 7
2.874 9
2.8967 8
2.9125 7
2.874 9
9 O 3.312 7
2.7319 7
2.6744 7
2.874 8
2.5975 10
2.7088 11
2.6538 9
3.2492 9
10 O 3.312 7
2.5849 7
2.5975 9
2.6786 11
2.5849 7
2.5975 9
2.6786 11
3.3036 12
11 O 3.312 7
2.6911 7
2.7088 9
2.6786 10
2.9337 11
2.7976 11
2.8171 12
2.8143 12
12 OH 3.36 10
3.1233 12
3.3398 9
3.3036 10
3.341 11
2.8171 11
2.8142 11
3.3398 9
3.341 11
2.8171 11
2.8142 11
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 2 0 0 5.203 10.407 0.051 240.19 2 66.5 369.7
2 1 1 0 7.691 15.383 0.075 108.71 4 28.9 63.3
3 0 0 1 9.588 19.175 0.093 69.17 2 20.6 10.2
4 2 0 -1 10.384 20.768 0.101 58.65 2 6.9 1.0
5 4 0 0 10.45 20.901 0.101 57.88 2 9.9 2.0
6 3 1 0 10.683 21.365 0.104 55.3 4 13.5 7.0
7 2 0 1 11.455 22.911 0.111 47.82 2 44.2 32.6
8 1 1 -1 12.096 24.193 0.117 42.67 4 0.7 0.0
9 1 1 1 12.574 25.148 0.122 39.33 4 92.4 234.3
10 4 0 -1 13.397 26.794 0.13 34.41 2 75.9 69.0
11 3 1 -1 13.798 27.597 0.133 32.32 4 162.3 593.4
12 0 2 0 14.586 29.173 0.141 28.71 2 104.7 109.7
13 5 1 0 15.031 30.063 0.145 26.92 4 138.8 361.7
14 3 1 1 15.038 30.076 0.145 26.9 4 158.4 470.5
15 4 0 1 15.07 30.139 0.145 26.78 2 88.3 72.7
16 2 2 0 15.526 31.052 0.15 25.12 4 95.6 160.0
17 6 0 0 15.788 31.575 0.152 24.23 2 213.4 384.6
18 5 1 -1 17.084 34.169 0.164 20.42 4 164.4 384.6
19 0 2 1 17.574 35.148 0.169 19.2 4 15.8 3.3
20 6 0 -1 17.59 35.181 0.169 19.16 2 138.3 127.8
21 2 2 -1 18.041 36.082 0.173 18.13 4 137.2 237.9
22 4 2 0 18.081 36.162 0.173 18.04 4 133.3 223.6
23 2 2 1 18.707 37.414 0.179 16.74 4 307.6 1104.2
24 5 1 1 18.785 37.57 0.18 16.59 4 158.9 292.0
25 0 0 2 19.458 38.915 0.186 15.34 2 160.3 137.5
26 6 0 1 19.57 39.14 0.187 15.15 2 156.5 129.3
27 2 0 -2 19.573 39.146 0.187 15.14 2 266.9 375.9
28 7 1 0 19.967 39.935 0.191 14.49 4 175.2 310.1
29 4 2 -1 20.012 40.023 0.191 14.42 4 172.6 299.4
30 1 1 -2 20.739 41.478 0.198 13.31 4 2.1 0.0
31 2 0 2 20.804 41.607 0.199 13.22 2 57.8 15.4
32 4 0 -2 21.13 42.26 0.202 12.77 2 115.0 58.9
33 4 2 1 21.221 42.442 0.202 12.65 4 56.4 28.0
34 8 0 0 21.27 42.54 0.203 12.58 2 8.0 0.3
35 7 1 -1 21.319 42.638 0.203 12.52 4 82.9 60.0
36 1 1 2 21.334 42.668 0.203 12.5 4 41.1 14.7
37 3 1 -2 21.548 43.095 0.205 12.22 4 70.2 42.0
38 6 2 0 21.761 43.522 0.207 11.95 4 70.6 41.6
39 1 3 0 22.363 44.726 0.213 11.24 4 13.2 1.4
40 8 0 -1 22.417 44.835 0.213 11.18 2 146.4 83.5
41 6 2 -1 23.165 46.331 0.22 10.38 4 13.3 1.3
42 3 1 2 23.245 46.49 0.221 10.3 4 124.3 111.0
43 7 1 1 23.305 46.611 0.221 10.24 4 9.3 0.6
44 4 0 2 23.404 46.808 0.222 10.14 2 40.1 5.7
45 5 1 -2 23.643 47.287 0.224 9.91 4 102.5 72.6
46 3 3 0 23.672 47.345 0.224 9.88 4 81.0 45.2
47 6 0 -2 23.898 47.797 0.226 9.67 2 152.7 78.6
48 1 3 -1 24.408 48.816 0.231 9.22 4 82.2 43.4
49 8 0 1 24.597 49.194 0.233 9.06 2 130.4 53.7
50 1 3 1 24.672 49.343 0.233 9.0 4 118.2 87.6
51 0 2 2 24.683 49.366 0.233 8.99 4 196.3 241.4
52 6 2 1 24.776 49.552 0.234 8.91 4 164.6 168.2
53 2 2 -2 24.779 49.557 0.234 8.91 4 179.1 199.3
54 9 1 0 25.283 50.567 0.239 8.51 4 161.1 154.0
55 3 3 -1 25.381 50.763 0.24 8.43 4 93.1 51.0
56 2 2 2 25.81 51.621 0.243 8.12 4 128.5 93.4
57 4 2 -2 26.087 52.175 0.246 7.92 4 109.2 65.8
58 5 3 0 26.141 52.281 0.246 7.89 4 199.8 219.5
59 3 3 1 26.145 52.29 0.246 7.88 4 61.1 20.5
60 9 1 -1 26.169 52.338 0.247 7.87 4 71.1 27.7
61 8 2 0 26.207 52.414 0.247 7.84 4 3.7 0.1
62 5 1 2 26.25 52.499 0.247 7.81 4 132.3 95.3
63 7 1 -2 26.796 53.591 0.252 7.45 4 179.7 167.8
64 10 0 0 26.966 53.931 0.253 7.35 2 60.8 9.5
65 6 0 2 26.982 53.964 0.254 7.34 2 137.5 48.3
66 8 2 -1 27.194 54.388 0.255 7.21 4 115.9 67.5
67 5 3 -1 27.496 54.992 0.258 7.03 4 100.9 49.9
68 8 0 -2 27.607 55.213 0.259 6.97 2 64.8 10.2
69 10 0 -1 27.693 55.385 0.26 6.92 2 102.2 25.2
70 4 2 2 28.055 56.11 0.263 6.72 4 8.5 0.3
71 9 1 1 28.372 56.743 0.266 6.55 4 102.2 47.6
72 6 2 -2 28.491 56.981 0.267 6.49 4 9.1 0.4
73 5 3 1 28.695 57.39 0.268 6.38 4 137.2 83.8
74 8 2 1 29.11 58.221 0.272 6.18 4 50.9 11.2
75 7 3 0 29.565 59.131 0.276 5.97 4 154.6 99.4
76 2 0 -3 29.831 59.663 0.278 5.85 2 15.3 0.5
77 0 0 3 29.978 59.956 0.279 5.78 2 5.3 0.1
78 10 0 1 30.05 60.1 0.28 5.75 2 88.2 15.6
79 7 1 2 30.127 60.254 0.281 5.72 4 151.5 91.5
80 1 3 -2 30.148 60.296 0.281 5.71 4 11.3 0.5
81 0 4 0 30.244 60.488 0.282 5.67 2 362.7 259.9
82 7 3 -1 30.594 61.187 0.284 5.53 4 70.9 19.4
83 1 3 2 30.605 61.21 0.285 5.52 4 109.6 46.2
84 4 0 -3 30.768 61.536 0.286 5.46 2 20.1 0.8
85 3 3 -2 30.771 61.541 0.286 5.46 4 99.5 37.6
86 2 4 0 30.782 61.565 0.286 5.45 4 24.6 2.3
87 9 1 -2 30.792 61.585 0.286 5.45 4 88.2 29.5
88 1 1 -3 30.811 61.623 0.286 5.44 4 29.2 3.2
89 11 1 0 30.961 61.922 0.288 5.38 4 61.0 14.0
90 2 0 3 31.198 62.396 0.29 5.29 2 61.6 7.0
91 3 1 -3 31.202 62.403 0.29 5.29 4 53.3 10.5
92 10 2 0 31.245 62.49 0.29 5.27 4 61.1 13.7
93 6 2 2 31.26 62.52 0.29 5.27 4 39.6 5.8
94 8 0 2 31.331 62.663 0.291 5.24 2 11.2 0.2
95 1 1 3 31.487 62.973 0.292 5.19 4 101.3 37.1
96 11 1 -1 31.517 63.034 0.292 5.18 4 125.1 56.4
97 8 2 -2 31.831 63.661 0.295 5.06 4 80.3 22.8
98 10 2 -1 31.91 63.819 0.295 5.04 4 16.7 1.0
99 0 4 1 32.039 64.079 0.297 4.99 4 4.1 0.1
100 10 0 -2 32.063 64.126 0.297 4.98 2 178.8 55.6
101 3 3 2 32.114 64.228 0.297 4.97 4 24.7 2.1
102 7 3 1 32.163 64.326 0.298 4.95 4 9.1 0.3
103 2 4 -1 32.341 64.682 0.299 4.89 4 36.9 4.7
104 4 4 0 32.367 64.734 0.299 4.88 4 65.3 14.5
105 5 3 -2 32.436 64.872 0.3 4.86 4 39.1 5.2
106 5 1 -3 32.636 65.272 0.301 4.8 4 164.5 90.5
107 6 0 -3 32.733 65.467 0.302 4.77 2 121.9 24.7
108 2 4 1 32.78 65.561 0.303 4.75 4 65.7 14.3
109 12 0 0 32.966 65.933 0.304 4.69 2 15.6 0.4
110 3 1 3 33.191 66.382 0.306 4.63 4 140.5 63.7
111 12 0 -1 33.396 66.793 0.308 4.57 2 78.0 9.7
112 4 0 3 33.425 66.85 0.308 4.56 2 98.6 15.5
113 4 4 -1 33.671 67.341 0.31 4.49 4 62.4 12.2
114 9 3 0 33.787 67.574 0.311 4.46 4 87.4 23.8
115 2 2 -3 33.888 67.775 0.312 4.43 4 186.9 107.9
116 11 1 1 33.928 67.856 0.312 4.42 4 122.6 46.3
117 0 2 3 34.024 68.048 0.313 4.39 4 223.5 152.9
118 10 2 1 34.091 68.183 0.313 4.37 4 247.8 187.2
119 4 4 1 34.529 69.058 0.317 4.26 4 59.5 10.5
120 9 3 -1 34.533 69.065 0.317 4.26 4 42.3 5.3
121 5 3 2 34.601 69.202 0.317 4.24 4 127.4 48.0
122 9 1 2 34.736 69.473 0.319 4.21 4 38.3 4.3
123 4 2 -3 34.764 69.527 0.319 4.2 4 51.9 7.9
124 6 4 0 34.922 69.845 0.32 4.16 4 82.1 19.5
125 7 1 -3 35.047 70.094 0.321 4.13 4 74.9 16.2
126 7 3 -2 35.066 70.132 0.321 4.13 4 162.4 75.9
127 2 2 3 35.168 70.336 0.322 4.1 4 41.7 5.0
128 8 2 2 35.293 70.587 0.323 4.08 4 75.2 16.1
129 11 1 -2 35.509 71.018 0.325 4.03 4 78.6 17.3
130 8 0 -3 35.64 71.28 0.326 4.0 2 108.3 16.3
131 5 1 3 35.851 71.701 0.327 3.95 4 75.6 15.7
132 12 0 1 35.953 71.905 0.328 3.93 2 65.8 5.9
133 6 4 -1 35.972 71.944 0.328 3.93 4 103.6 29.3
134 10 2 -2 35.984 71.968 0.328 3.92 4 38.5 4.1
135 10 0 2 36.353 72.706 0.331 3.85 2 87.9 10.4
136 9 3 1 36.43 72.86 0.332 3.83 4 24.1 1.6
137 6 0 3 36.571 73.141 0.333 3.8 2 123.2 20.1
138 6 2 -3 36.62 73.239 0.333 3.79 4 133.4 47.1
139 12 2 0 36.841 73.683 0.335 3.75 4 76.4 15.3
140 13 1 0 37.07 74.14 0.337 3.71 4 22.7 1.3
141 0 4 2 37.147 74.295 0.338 3.69 4 156.7 63.2
142 12 0 -2 37.187 74.374 0.338 3.69 2 115.5 17.1
143 6 4 1 37.221 74.442 0.338 3.68 4 122.2 38.3
144 2 4 -2 37.223 74.446 0.338 3.68 4 246.4 155.7
145 12 2 -1 37.251 74.501 0.338 3.67 4 307.1 241.5
146 4 2 3 37.278 74.557 0.339 3.67 4 97.9 24.5
147 13 1 -1 37.375 74.751 0.339 3.65 4 86.5 19.0
148 7 3 2 37.984 75.968 0.344 3.55 4 217.4 116.8
149 2 4 2 38.047 76.094 0.345 3.54 4 91.1 20.5
150 4 4 -2 38.272 76.543 0.346 3.5 4 52.1 6.6
151 9 1 -3 38.359 76.717 0.347 3.49 4 11.4 0.3
152 8 4 0 38.369 76.737 0.347 3.48 4 64.2 10.0
153 9 3 -2 38.582 77.164 0.349 3.45 4 191.2 87.9
154 1 3 -3 38.599 77.198 0.349 3.45 4 118.7 33.9
155 11 3 0 38.734 77.468 0.35 3.43 4 55.0 7.2
156 3 3 -3 38.952 77.904 0.351 3.4 4 48.1 5.5
157 1 5 0 39.141 78.282 0.353 3.37 4 57.2 7.7
158 8 4 -1 39.18 78.36 0.353 3.36 4 108.7 27.7
159 1 3 3 39.211 78.421 0.353 3.36 4 59.6 8.3
160 11 3 -1 39.238 78.477 0.354 3.36 4 52.3 6.4
161 7 1 3 39.395 78.79 0.355 3.33 4 25.3 1.5
162 8 2 -3 39.404 78.808 0.355 3.33 4 23.5 1.3
163 14 0 0 39.408 78.816 0.355 3.33 2 241.3 67.6
164 10 0 -3 39.414 78.827 0.355 3.33 2 107.6 13.4
165 14 0 -1 39.606 79.212 0.356 3.31 2 48.7 2.7
166 12 2 1 39.706 79.412 0.357 3.29 4 118.4 32.2
167 4 4 2 39.901 79.801 0.359 3.27 4 75.7 13.1
168 13 1 1 40.031 80.062 0.36 3.25 4 42.7 4.1
169 11 1 2 40.041 80.082 0.36 3.25 4 41.1 3.8
170 10 2 2 40.094 80.188 0.36 3.24 4 3.7 0.0
171 3 5 0 40.1 80.201 0.36 3.24 4 8.7 0.2
172 5 3 -3 40.262 80.525 0.361 3.22 4 109.8 27.1
173 6 4 -2 40.27 80.539 0.361 3.22 4 58.9 7.8
174 6 2 3 40.305 80.609 0.362 3.22 4 16.5 0.6
175 8 0 3 40.571 81.141 0.364 3.19 2 100.0 11.1
176 1 5 -1 40.655 81.31 0.364 3.18 4 26.5 1.6
177 3 3 3 40.775 81.55 0.365 3.16 4 96.0 20.3
178 8 4 1 40.799 81.598 0.365 3.16 4 85.5 16.1
179 1 5 1 40.856 81.713 0.366 3.15 4 43.4 4.1
180 12 2 -2 40.904 81.807 0.366 3.15 4 24.8 1.4
181 13 1 -2 40.924 81.849 0.366 3.15 4 0.5 0.0
182 3 5 -1 41.405 82.811 0.37 3.1 4 130.0 36.5
183 2 0 -4 41.448 82.896 0.37 3.09 2 236.9 60.4
184 11 3 1 41.46 82.92 0.37 3.09 4 113.8 27.9
185 0 0 4 41.776 83.552 0.372 3.06 2 247.6 65.4
186 5 5 0 42.004 84.008 0.374 3.04 4 72.3 11.1
187 3 5 1 42.007 84.014 0.374 3.04 4 156.2 51.6
188 12 0 2 42.061 84.122 0.374 3.03 2 313.1 103.6
189 4 0 -4 42.069 84.137 0.375 3.03 2 140.4 20.8
190 9 3 2 42.218 84.436 0.376 3.02 4 106.2 23.8
191 1 1 -4 42.407 84.814 0.377 3.0 4 30.1 1.9
192 14 0 1 42.424 84.849 0.377 3.0 2 49.5 2.6
193 7 3 -3 42.51 85.021 0.378 2.99 4 45.6 4.3
194 11 1 -3 42.53 85.059 0.378 2.99 4 112.7 26.5
195 3 1 -4 42.553 85.106 0.378 2.99 4 17.0 0.6
196 10 4 0 42.666 85.333 0.379 2.98 4 1.1 0.0
197 6 4 2 42.68 85.36 0.379 2.98 4 57.0 6.7
198 11 3 -2 42.948 85.895 0.381 2.96 4 104.3 22.4
199 14 0 -2 43.01 86.019 0.381 2.95 2 194.8 39.1
200 2 0 4 43.05 86.099 0.382 2.95 2 114.6 13.5
201 14 2 0 43.076 86.152 0.382 2.95 4 114.5 27.0
202 10 2 -3 43.082 86.163 0.382 2.95 4 98.1 19.8
203 5 5 -1 43.099 86.198 0.382 2.95 4 144.7 43.0
204 8 4 -2 43.19 86.38 0.383 2.94 4 87.9 15.8
205 1 1 4 43.207 86.413 0.383 2.94 4 37.0 2.8
206 10 4 -1 43.261 86.522 0.383 2.93 4 75.3 11.6
207 14 2 -1 43.271 86.542 0.383 2.93 4 39.5 3.2
208 5 3 3 43.272 86.544 0.383 2.93 4 49.0 4.9
209 6 0 -4 43.632 87.265 0.386 2.91 2 103.9 11.0
210 5 1 -4 43.643 87.287 0.386 2.91 4 40.4 3.3
211 15 1 0 43.768 87.536 0.387 2.9 4 9.9 0.2
212 9 1 3 43.798 87.596 0.387 2.9 4 125.6 31.9
213 15 1 -1 43.863 87.726 0.387 2.89 4 37.8 2.9
214 12 0 -3 44.035 88.07 0.389 2.88 2 64.1 4.1
215 5 5 1 44.097 88.193 0.389 2.88 4 116.9 27.4
216 8 2 3 44.222 88.444 0.39 2.87 4 129.0 33.3
217 13 3 0 44.439 88.878 0.391 2.86 4 7.4 0.1
218 13 3 -1 44.733 89.466 0.393 2.84 4 145.6 42.0
219 7 5 0 44.837 89.674 0.394 2.84 4 101.6 20.4
220 3 1 4 44.947 89.895 0.395 2.83 4 52.4 5.4
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 2 0 0 5.203 10.407 9.86268 369.7 33.5 34.2 5.6
2 1 1 0 7.691 15.383 6.68326 63.3 5.7 5.8 5.6
3 2 0 1 11.455 22.911 4.50373 32.6 3.0 3.0 5.6
4 1 1 1 12.574 25.148 4.10875 234.3 21.2 21.4 5.6
5 4 0 -1 13.397 26.794 3.86045 69.0 6.3 6.3 5.6
6 3 1 -1 13.798 27.597 3.75025 593.4 53.7 54.2 5.6
7 0 2 0 14.586 29.173 3.5517 109.7 9.9 10.0 5.6
8 3 1 1 15.038 30.076 3.44739 832.2 75.4 75.9 5.6
9 4 0 1 15.07 30.139 3.44032 72.7 6.6 6.6 5.6
10 2 2 0 15.526 31.052 3.34163 160.0 14.5 14.6 5.6
11 6 0 0 15.788 31.575 3.28756 384.6 34.8 35.0 5.6
12 5 1 -1 17.084 34.169 3.04465 384.6 34.8 34.9 5.7
13 6 0 -1 17.59 35.181 2.95973 131.1 11.9 11.9 5.7
14 2 2 -1 18.041 36.082 2.8882 237.9 21.5 21.6 5.7
15 4 2 0 18.081 36.162 2.88201 223.6 20.2 20.3 5.7
16 2 2 1 18.707 37.414 2.78884 1104.2 100.0 100.0 5.7
17 5 1 1 18.785 37.57 2.77765 292.0 26.4 26.4 5.7
18 0 0 2 19.458 38.915 2.68518 137.5 12.5 12.4 5.7
19 2 0 -2 19.573 39.146 2.66995 505.2 45.8 45.7 5.7
20 7 1 0 19.967 39.935 2.61933 310.1 28.1 28.0 5.7
21 4 2 -1 20.012 40.023 2.61378 299.4 27.1 27.0 5.7
22 2 0 2 20.804 41.607 2.51842 15.4 1.4 1.4 5.7
23 4 0 -2 21.13 42.26 2.48126 58.9 5.3 5.3 5.7
24 4 2 1 21.221 42.442 2.47111 28.0 2.5 2.5 5.7
25 7 1 -1 21.319 42.638 2.46026 74.7 6.8 6.7 5.7
26 3 1 -2 21.548 43.095 2.4354 42.0 3.8 3.8 5.7
27 6 2 0 21.761 43.522 2.41264 41.6 3.8 3.7 5.7
28 8 0 -1 22.417 44.835 2.34551 83.5 7.6 7.5 5.7
29 3 1 2 23.245 46.49 2.26639 111.0 10.1 10.0 5.7
30 5 1 -2 23.643 47.287 2.23035 72.6 6.6 6.5 5.7
31 3 3 0 23.672 47.345 2.22775 45.2 4.1 4.1 5.7
32 6 0 -2 23.898 47.797 2.20791 78.6 7.1 7.0 5.7
33 1 3 -1 24.408 48.816 2.16455 43.4 3.9 3.9 5.7
34 8 0 1 24.597 49.194 2.14893 53.7 4.9 4.8 5.7
35 0 2 2 24.683 49.366 2.14193 328.9 29.8 29.4 5.7
36 2 2 -2 24.779 49.557 2.13418 367.5 33.3 32.9 5.7
37 9 1 0 25.283 50.567 2.09429 154.0 13.9 13.8 5.8
38 3 3 -1 25.381 50.763 2.08674 51.0 4.6 4.5 5.8
39 2 2 2 25.81 51.621 2.05437 93.4 8.5 8.3 5.8
40 4 2 -2 26.087 52.175 2.03405 65.8 6.0 5.9 5.8
41 5 3 0 26.141 52.281 2.0302 267.7 24.2 23.9 5.8
42 5 1 2 26.25 52.499 2.02237 95.3 8.6 8.5 5.8
43 7 1 -2 26.796 53.591 1.98413 167.8 15.2 14.9 5.8
44 6 0 2 26.982 53.964 1.97142 57.8 5.2 5.1 5.8
45 8 2 -1 27.194 54.388 1.95724 67.5 6.1 6.0 5.8
46 5 3 -1 27.496 54.992 1.93738 49.9 4.5 4.4 5.8
47 10 0 -1 27.693 55.385 1.92469 25.2 2.3 2.2 5.8
48 9 1 1 28.372 56.743 1.88233 47.6 4.3 4.2 5.8
49 5 3 1 28.695 57.39 1.86288 83.8 7.6 7.4 5.8
50 8 2 1 29.11 58.221 1.83859 11.2 1.0 1.0 5.8
51 7 3 0 29.565 59.131 1.8128 99.4 9.0 8.8 5.8
52 10 0 1 30.05 60.1 1.78623 15.6 1.4 1.4 5.8
53 7 1 2 30.127 60.254 1.78209 92.0 8.3 8.1 5.8
54 0 4 0 30.244 60.488 1.77585 259.9 23.5 22.9 5.8
55 1 3 2 30.605 61.21 1.75689 65.6 5.9 5.8 5.8
56 3 3 -2 30.771 61.541 1.74835 69.4 6.3 6.1 5.8
57 11 1 0 30.961 61.922 1.73867 14.0 1.3 1.2 5.8
58 3 1 -3 31.202 62.403 1.72659 17.5 1.6 1.5 5.8
59 10 2 0 31.245 62.49 1.72444 19.5 1.8 1.7 5.8
60 1 1 3 31.487 62.973 1.71255 37.1 3.4 3.3 5.9
61 11 1 -1 31.517 63.034 1.71106 56.4 5.1 5.0 5.9
62 8 2 -2 31.831 63.661 1.69595 22.8 2.1 2.0 5.9
63 10 0 -2 32.063 64.126 1.68495 55.6 5.0 4.9 5.9
64 4 4 0 32.367 64.734 1.67081 19.2 1.7 1.7 5.9
65 5 1 -3 32.636 65.272 1.65856 90.5 8.2 7.9 5.9
66 6 0 -3 32.733 65.467 1.65417 24.7 2.2 2.2 5.9
67 2 4 1 32.78 65.561 1.65206 14.3 1.3 1.2 5.9
68 3 1 3 33.191 66.382 1.63393 63.7 5.8 5.6 5.9
69 4 0 3 33.425 66.85 1.62379 25.1 2.3 2.2 5.9
70 4 4 -1 33.671 67.341 1.61334 12.2 1.1 1.1 5.9
71 9 3 0 33.787 67.574 1.60843 23.8 2.2 2.1 5.9
72 2 2 -3 33.888 67.775 1.60422 107.9 9.8 9.4 5.9
73 11 1 1 33.928 67.856 1.60255 46.3 4.2 4.0 5.9
74 0 2 3 34.024 68.048 1.59855 152.9 13.8 13.3 5.9
75 10 2 1 34.091 68.183 1.59578 187.2 17.0 16.3 5.9
76 4 4 1 34.529 69.058 1.57802 15.8 1.4 1.4 5.9
77 5 3 2 34.601 69.202 1.57515 48.0 4.3 4.2 5.9
78 4 2 -3 34.764 69.527 1.5687 12.2 1.1 1.1 5.9
79 6 4 0 34.922 69.845 1.56247 19.5 1.8 1.7 5.9
80 7 3 -2 35.066 70.132 1.55688 92.0 8.3 8.0 5.9
81 8 2 2 35.293 70.587 1.54815 16.1 1.5 1.4 5.9
82 11 1 -2 35.509 71.018 1.53997 17.3 1.6 1.5 5.9
83 8 0 -3 35.64 71.28 1.53505 16.3 1.5 1.4 5.9
84 5 1 3 35.851 71.701 1.52724 15.7 1.4 1.4 5.9
85 6 4 -1 35.972 71.944 1.52278 39.3 3.6 3.4 5.9
86 6 0 3 36.571 73.141 1.50124 20.1 1.8 1.7 6.0
87 6 2 -3 36.62 73.239 1.49952 47.1 4.3 4.1 6.0
88 12 2 0 36.841 73.683 1.49176 15.3 1.4 1.3 6.0
89 0 4 2 37.147 74.295 1.48122 63.2 5.7 5.4 6.0
90 12 0 -2 37.187 74.374 1.47987 17.1 1.6 1.5 6.0
91 12 2 -1 37.251 74.501 1.4777 460.0 41.7 39.6 6.0
92 13 1 -1 37.375 74.751 1.47349 19.0 1.7 1.6 6.0
93 7 3 2 37.984 75.968 1.45337 116.8 10.6 10.0 6.0
94 2 4 2 38.047 76.094 1.45132 20.5 1.9 1.8 6.0
95 9 3 -2 38.582 77.164 1.43427 121.8 11.0 10.4 6.0
96 8 4 -1 39.18 78.36 1.41582 27.7 2.5 2.4 6.0
97 1 3 3 39.211 78.421 1.4149 14.7 1.3 1.3 6.0
98 10 0 -3 39.414 78.827 1.40878 83.9 7.6 7.1 6.0
99 12 2 1 39.706 79.412 1.40011 32.2 2.9 2.7 6.0
100 4 4 2 39.901 79.801 1.39442 13.1 1.2 1.1 6.0
101 5 3 -3 40.262 80.525 1.384 34.9 3.2 3.0 6.1
102 8 0 3 40.571 81.141 1.37528 11.1 1.0 0.9 6.1
103 3 3 3 40.775 81.55 1.36958 36.4 3.3 3.1 6.1
104 3 5 -1 41.405 82.811 1.35241 36.5 3.3 3.1 6.1
105 2 0 -4 41.448 82.896 1.35127 88.3 8.0 7.5 6.1
106 0 0 4 41.776 83.552 1.34259 65.4 5.9 5.5 6.1
107 3 5 1 42.007 84.014 1.33656 62.7 5.7 5.3 6.1
108 12 0 2 42.061 84.122 1.33517 124.5 11.3 10.5 6.1
109 9 3 2 42.218 84.436 1.33113 23.8 2.2 2.0 6.1
110 11 1 -3 42.53 85.059 1.32322 30.8 2.8 2.6 6.1
111 11 3 -2 42.948 85.895 1.31281 22.4 2.0 1.9 6.1
112 14 0 -2 43.01 86.019 1.31129 39.1 3.5 3.3 6.1
113 5 5 -1 43.099 86.198 1.3091 103.3 9.4 8.6 6.1
114 8 4 -2 43.19 86.38 1.30689 18.6 1.7 1.6 6.1
115 10 4 -1 43.261 86.522 1.30517 19.7 1.8 1.6 6.1
116 6 0 -4 43.632 87.265 1.29627 14.3 1.3 1.2 6.2
117 9 1 3 43.798 87.596 1.29235 31.9 2.9 2.7 6.2
118 5 5 1 44.097 88.193 1.28538 27.4 2.5 2.3 6.2
119 8 2 3 44.222 88.444 1.28249 33.3 3.0 2.8 6.2
120 13 3 -1 44.733 89.466 1.27089 42.0 3.8 3.5 6.2
121 7 5 0 44.837 89.674 1.26858 20.4 1.8 1.7 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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