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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VIELLEAUREITE-(CE)
1, t-epidote, s-allanite
Mn''Ce(MgAlMn'')[Si(2)O(7)][SiO(4)]F(OH)
Monoclinic P 2(1)/m Z = 2
R =0.0575 NR =1565
2 .3 .26
Ref.Str.:
A. Ragu1, L. Bindi, P. Bonazzi, L. Remusat, C. Chopin (2025)
* Eur. J. Mineral., 37, 627-638, doi.org/10.5194/ejm-37-627-2025
L: $Mn2+1.81 Ca0.14 Na0.01 Ce0.66 La0.32 Nd0.02 Er0.01 Mg0.73 V0.14 Mn3+0.02
Fe3+0.06 Si2.94 Al0.04 B0.01 O12.14 F0.85 Cl0.01 H1.0$
R: IMA2022-134. Locality - Paleozoic stratiform Mn ore deposit,
Coustou mine, Vielle-Aure village, Hautes Pyrenees, France. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.8238 alpha = 90.0
b = 5.7131 beta = 112.82
c = 10.0034 gamma = 90.0
Unit cell volume (cub. angs.) = 464.8
Molar volume ( cub.cm/mol.) = 139.98
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 0.0 Mg = 0.71, V = 0.14, Mn = 0.01
2 0.0 0.0 0.5 0.0 Al = 1.00
3 0.7637 0.75 0.1542 0.0 Mn = 0.86, Ca = 0.14, Na = 0.01
4 0.5926 0.75 0.429 0.0 Ce = 0.66, La = 0.32, Nd = 0.02
5 0.3196 0.25 0.204 0.0 Mn = 0.99, Mg = 0.02
6 0.3491 0.75 0.0322 0.0 Si = 1.00
7 0.696 0.25 0.2844 0.0 Si = 1.00
8 0.1904 0.75 0.3215 0.0 Si = 1.00
9 0.2421 0.9907 0.0197 0.0 O = 1.00
10 0.3151 0.9744 0.3587 0.0 O = 1.00
11 0.8074 0.0112 0.3304 0.0 O = 1.00
12 0.0559 0.25 0.1374 0.0 O = 1.00
13 0.0487 0.75 0.1557 0.0 O = 1.00
14 0.0818 0.75 0.4216 0.0 O = 1.00
15 0.5152 0.75 0.1736 0.0 O = 1.00
16 0.5615 0.25 0.3536 0.0 O = 1.00
17 0.5988 0.25 0.1071 0.0 O = 1.00
18 0.093 0.25 0.4333 0.0 O = 1.00
19 0.07 0.25 0.33 0.0 H = 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 0.0 0.0 0.5
3 3 0.7637 0.75 0.1542
4 4 0.5926 0.75 0.429
5 5 0.3196 0.25 0.204
6 6 0.3491 0.75 0.0322
7 7 0.696 0.25 0.2844
8 8 0.1904 0.75 0.3215
9 9 0.2421 0.9907 0.0197
10 10 0.3151 0.9744 0.3587
11 11 0.8074 0.0112 0.3304
12 12 0.0559 0.25 0.1374
13 13 0.0487 0.75 0.1557
14 14 0.0818 0.75 0.4216
15 15 0.5152 0.75 0.1736
16 16 0.5615 0.25 0.3536
17 17 0.5988 0.25 0.1071
18 18 0.093 0.25 0.4333
19 19 0.07 0.25 0.33
20 1 0.0 0.5 0.0
21 2 0.0 0.5 0.5
22 3 0.2363 0.25 0.8458
23 4 0.4074 0.25 0.571
24 5 0.6804 0.75 0.796
25 6 0.6509 0.25 0.9678
26 7 0.304 0.75 0.7156
27 8 0.8096 0.25 0.6785
28 9 0.7579 0.4907 0.9803
29 10 0.6849 0.4744 0.6413
30 11 0.1926 0.5112 0.6696
31 12 0.9441 0.75 0.8626
32 13 0.9513 0.25 0.8443
33 14 0.9182 0.25 0.5784
34 15 0.4848 0.25 0.8264
35 16 0.4385 0.75 0.6464
36 17 0.4012 0.75 0.8929
37 18 0.907 0.75 0.5667
38 19 0.93 0.75 0.67
39 9 0.2421 0.5093 0.0197
40 10 0.3151 0.5256 0.3587
41 11 0.8074 0.4888 0.3304
42 9 0.7579 0.0093 0.9803
43 10 0.6849 0.0256 0.6413
44 11 0.1926 0.9888 0.6696
X-ray density (g/cm cub.) = 4.24
MU (1/cm) = 628.613 Mass attenuation coefficient (cm**2/g) = 148.422
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,V ,Mn 2.724 6
2.0685 9
1.9096 12
2.0326 13
1.9096 12
2.0326 13
2.0685 9
2 Al 2.316 6
1.8799 11
1.9014 14
1.893 18
1.9014 14
1.893 18
1.8799 11
3 Mn ,Ca ,Na 2.88 6
2.2258 11
2.5091 13
2.2749 15
2.2705 9
2.2258 11
2.2705 9
4 Ce ,La ,Nd 2.88 8
2.6071 10
2.8712 11
2.3749 15
2.5121 10
2.5749 18
2.6071 10
2.8712 11
2.5121 10
5 Mn ,Mg 2.724 6
2.2543 9
2.2192 10
2.158 12
2.0777 16
2.2543 9
2.2192 10
6 Si 2.1 4
1.6451 9
1.5939 15
1.6279 17
1.6451 9
7 Si 2.1 4
1.6396 11
1.589 16
1.6435 17
1.6396 11
8 Si 2.1 4
1.6356 10
1.6448 13
1.6326 14
1.6356 10
9 O 3.264 9
3.1983 10
2.7894 12
2.9078 13
2.6814 15
2.8406 12
2.8922 13
2.6177 17
2.9628 9
2.7503 9
10 O 3.264 9
3.1983 9
2.9467 12
2.755 13
2.6985 14
2.7009 16
2.8304 18
2.9463 16
3.1491 10
2.564 10
11 O 3.264 9
2.6848 14
2.8631 15
2.6483 16
2.6551 17
2.6943 18
2.6627 14
2.6411 18
2.7286 11
2.9845 11
12 O 3.264 10
2.7894 9
2.9467 10
2.8647 13
2.8647 13
2.849 18
2.8406 9
2.7109 13
2.7894 9
2.9467 10
2.8406 9
13 O 3.264 10
2.9078 9
2.755 10
2.8647 12
2.8647 12
2.5608 14
2.8922 9
2.7109 12
2.9078 9
2.755 10
2.8922 9
14 O 3.264 11
2.6985 10
2.6848 11
2.5608 13
2.8591 18
2.8591 18
2.6627 11
3.0778 16
2.4945 18
2.6985 10
2.6848 11
2.6627 11
15 O 3.264 7
2.6814 9
2.8631 11
3.0866 17
3.0866 17
2.5895 17
2.6814 9
2.8631 11
16 O 3.264 8
2.7009 10
2.6483 11
2.6112 17
2.9463 10
3.0778 14
2.7009 10
2.6483 11
2.9463 10
17 O 3.264 8
2.6551 11
3.0866 15
3.0866 15
2.6112 16
2.6177 9
2.5895 15
2.6551 11
2.6177 9
18 O 3.264 10
2.8304 10
2.6943 11
2.849 12
2.8591 14
2.8591 14
2.6411 11
2.4945 14
2.8304 10
2.6943 11
2.6411 11
19 H 1.632 1
0.9728 18
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 0 0 1 5.567 11.134 0.054 209.54 2 58.2 657.7
2 1 0 0 6.314 12.628 0.061 162.38 2 62.0 578.7
3 1 0 -1 6.605 13.21 0.064 148.21 2 33.0 149.0
4 1 0 1 9.938 19.876 0.096 64.23 2 63.4 238.8
5 1 0 -2 10.496 20.992 0.102 57.36 2 28.3 42.5
6 0 1 1 10.613 21.227 0.103 56.05 4 35.9 133.9
7 1 1 0 11.03 22.061 0.107 51.74 4 58.9 332.3
8 0 0 2 11.188 22.375 0.108 50.23 2 47.1 103.2
9 1 1 -1 11.202 22.404 0.109 50.1 4 21.4 42.3
10 2 0 -1 11.717 23.434 0.114 45.61 2 27.7 32.4
11 2 0 0 12.707 25.413 0.123 38.47 2 33.7 40.4
12 2 0 -2 13.3 26.599 0.129 34.94 2 16.5 8.8
13 1 1 1 13.475 26.949 0.13 33.99 4 20.9 27.6
14 1 1 -2 13.899 27.797 0.134 31.83 4 57.0 191.7
15 0 1 2 14.437 28.874 0.139 29.35 4 54.4 160.7
16 2 1 -1 14.858 29.716 0.143 27.6 4 114.4 669.4
17 1 0 2 14.92 29.841 0.144 27.36 2 18.3 8.5
18 1 0 -3 15.561 31.122 0.15 25.0 2 32.6 24.6
19 2 1 0 15.664 31.327 0.151 24.64 4 72.8 241.7
20 2 0 1 15.823 31.646 0.152 24.11 2 99.0 218.8
21 2 1 -2 16.157 32.313 0.156 23.05 4 47.1 94.6
22 2 0 -3 16.788 33.575 0.161 21.21 2 49.2 47.6
23 0 0 3 16.92 33.84 0.163 20.85 2 4.7 0.4
24 1 1 2 17.538 35.076 0.168 19.28 4 47.5 80.6
25 3 0 -1 17.799 35.598 0.171 18.67 2 8.4 1.2
26 1 1 -3 18.096 36.192 0.174 18.01 4 220.2 1616.2
27 3 0 -2 18.131 36.263 0.174 17.93 2 134.7 301.3
28 0 2 0 18.248 36.495 0.175 17.68 2 212.3 737.3
29 2 1 1 18.326 36.651 0.176 17.51 4 85.2 235.2
30 0 2 1 19.136 38.272 0.183 15.92 4 42.4 53.1
31 2 1 -3 19.18 38.359 0.184 15.84 4 39.1 44.8
32 3 0 0 19.265 38.53 0.184 15.69 2 95.8 133.2
33 0 1 3 19.297 38.595 0.185 15.63 4 130.9 495.9
34 1 2 0 19.383 38.766 0.186 15.48 4 128.4 472.5
35 1 2 -1 19.486 38.973 0.186 15.29 4 27.3 21.2
36 3 1 -1 20.087 40.173 0.192 14.3 4 184.4 900.5
37 3 0 -3 20.186 40.371 0.193 14.14 2 99.4 129.3
38 2 0 2 20.191 40.383 0.193 14.13 2 173.7 394.6
39 3 1 -2 20.387 40.774 0.195 13.83 4 24.7 15.6
40 1 0 3 20.411 40.822 0.195 13.8 2 38.6 19.0
41 1 2 1 20.949 41.898 0.2 13.02 4 55.4 74.0
42 1 0 -4 21.097 42.195 0.201 12.81 2 72.2 61.9
43 1 2 -2 21.239 42.478 0.203 12.62 4 52.3 63.9
44 2 0 -4 21.367 42.734 0.204 12.45 2 75.3 65.3
45 3 1 0 21.42 42.84 0.204 12.38 4 45.2 46.9
46 0 2 2 21.615 43.23 0.206 12.14 4 39.5 35.0
47 2 2 -1 21.914 43.828 0.209 11.77 4 34.9 26.6
48 3 0 1 22.228 44.455 0.211 11.4 2 21.0 4.6
49 3 1 -3 22.267 44.533 0.212 11.35 4 89.8 169.5
50 2 1 2 22.272 44.544 0.212 11.34 4 19.7 8.1
51 1 1 3 22.475 44.95 0.214 11.11 4 35.1 25.3
52 2 2 0 22.499 44.997 0.214 11.09 4 7.9 1.3
53 0 0 4 22.833 45.666 0.217 10.72 2 31.0 9.6
54 2 2 -2 22.864 45.728 0.217 10.69 4 93.7 173.6
55 1 1 -4 23.112 46.224 0.219 10.43 4 43.2 36.1
56 2 1 -4 23.363 46.726 0.222 10.18 4 52.2 51.4
57 3 0 -4 23.587 47.174 0.224 9.96 2 97.2 87.1
58 1 2 2 23.916 47.831 0.227 9.66 4 78.5 110.3
59 4 0 -2 23.963 47.926 0.227 9.61 2 53.4 25.4
60 3 1 1 24.168 48.335 0.229 9.43 4 48.1 40.4
61 4 0 -1 24.337 48.674 0.23 9.28 2 197.7 335.8
62 1 2 -3 24.351 48.702 0.23 9.27 4 64.2 70.6
63 2 2 1 24.532 49.064 0.232 9.11 4 121.6 249.6
64 0 1 4 24.736 49.472 0.234 8.94 4 81.5 110.1
65 4 0 -3 25.022 50.045 0.236 8.71 2 94.5 72.0
66 2 2 -3 25.213 50.427 0.238 8.56 4 151.6 364.5
67 2 0 3 25.308 50.616 0.239 8.49 2 150.1 177.0
68 0 2 3 25.308 50.617 0.239 8.49 4 117.3 216.4
69 3 1 -4 25.447 50.895 0.24 8.38 4 32.9 16.8
70 4 1 -2 25.803 51.606 0.243 8.12 4 23.2 8.1
71 3 2 -1 25.95 51.901 0.245 8.02 4 17.2 4.4
72 4 0 0 26.099 52.197 0.246 7.92 2 6.0 0.3
73 4 1 -1 26.158 52.316 0.246 7.87 4 61.8 55.7
74 3 2 -2 26.197 52.395 0.247 7.85 4 61.7 55.3
75 1 0 4 26.262 52.523 0.247 7.8 2 6.4 0.3
76 3 0 2 26.289 52.579 0.248 7.79 2 51.6 19.2
77 2 0 -5 26.629 53.258 0.251 7.56 2 74.1 38.4
78 4 1 -3 26.809 53.618 0.252 7.45 4 45.2 28.1
79 1 0 -5 26.992 53.983 0.254 7.33 2 51.3 17.9
80 3 2 0 27.057 54.113 0.254 7.29 4 24.1 7.9
81 2 1 3 27.081 54.162 0.254 7.28 4 54.2 39.6
82 4 0 -4 27.392 54.785 0.257 7.09 2 86.6 49.2
83 3 2 -3 27.772 55.544 0.26 6.87 4 60.5 46.6
84 2 2 2 27.777 55.554 0.261 6.87 4 158.4 319.0
85 4 1 0 27.836 55.673 0.261 6.84 4 39.4 19.6
86 1 2 3 27.95 55.899 0.262 6.77 4 68.9 59.5
87 3 0 -5 27.971 55.942 0.262 6.76 2 36.6 8.4
88 1 1 4 27.992 55.985 0.262 6.75 4 97.1 117.9
89 3 1 2 28.019 56.038 0.263 6.74 4 84.1 88.1
90 2 1 -5 28.344 56.688 0.265 6.56 4 6.5 0.5
91 1 2 -4 28.495 56.991 0.267 6.48 4 5.8 0.4
92 0 3 1 28.659 57.319 0.268 6.4 4 24.8 7.3
93 1 1 -5 28.692 57.384 0.268 6.38 4 14.3 2.4
94 2 2 -4 28.712 57.424 0.269 6.37 4 100.0 118.0
95 1 3 0 28.842 57.684 0.27 6.31 4 69.8 57.0
96 1 3 -1 28.919 57.837 0.27 6.27 4 20.2 4.7
97 0 0 5 29.016 58.032 0.271 6.22 2 84.6 41.2
98 4 0 1 29.068 58.136 0.272 6.2 2 21.5 2.6
99 4 1 -4 29.077 58.155 0.272 6.19 4 12.6 1.8
100 3 2 1 29.411 58.822 0.275 6.04 4 33.5 12.5
101 3 1 -5 29.635 59.269 0.276 5.93 4 55.8 34.2
102 0 2 4 29.909 59.818 0.279 5.81 4 70.7 53.7
103 1 3 1 30.026 60.052 0.28 5.76 4 25.3 6.8
104 1 3 -2 30.25 60.501 0.282 5.67 4 43.1 19.5
105 5 0 -2 30.478 60.957 0.284 5.57 2 95.4 46.9
106 3 2 -4 30.537 61.074 0.284 5.55 4 57.4 33.8
107 0 3 2 30.543 61.086 0.284 5.55 4 41.1 17.4
108 0 1 5 30.644 61.287 0.285 5.51 4 26.1 6.9
109 4 1 1 30.694 61.388 0.285 5.49 4 29.6 8.9
110 2 3 -1 30.778 61.556 0.286 5.45 4 99.4 99.8
111 5 0 -3 30.849 61.697 0.287 5.43 2 0.1 0.0
112 4 2 -2 30.853 61.706 0.287 5.42 4 77.0 59.6
113 4 0 -5 30.87 61.741 0.287 5.42 2 28.7 4.1
114 2 0 4 30.994 61.988 0.288 5.37 2 73.9 27.2
115 4 2 -1 31.169 62.339 0.289 5.3 4 86.5 73.5
116 3 0 3 31.181 62.361 0.289 5.3 2 45.0 9.9
117 2 3 0 31.241 62.482 0.29 5.28 4 67.8 44.9
118 5 0 -1 31.333 62.666 0.291 5.24 2 104.3 52.8
119 2 3 -2 31.534 63.067 0.292 5.17 4 45.6 19.9
120 4 2 -3 31.753 63.507 0.294 5.09 4 41.7 16.4
121 2 2 3 31.999 63.997 0.296 5.01 4 62.7 36.4
122 5 1 -2 32.061 64.122 0.297 4.99 4 34.5 11.0
123 1 3 2 32.387 64.774 0.299 4.88 4 34.6 10.8
124 5 0 -4 32.42 64.84 0.3 4.87 2 19.6 1.7
125 5 1 -3 32.421 64.843 0.3 4.87 4 31.8 9.1
126 4 1 -5 32.442 64.885 0.3 4.86 4 114.2 117.4
127 2 0 -6 32.447 64.895 0.3 4.86 2 160.0 115.1
128 1 0 5 32.504 65.008 0.3 4.84 2 63.6 18.1
129 2 1 4 32.563 65.126 0.301 4.82 4 60.1 32.2
130 4 2 0 32.682 65.364 0.302 4.78 4 91.5 74.2
131 3 1 3 32.744 65.489 0.302 4.76 4 35.9 11.4
132 1 3 -3 32.745 65.49 0.302 4.76 4 161.1 228.9
133 1 2 4 32.824 65.648 0.303 4.74 4 76.9 51.8
134 3 2 2 32.848 65.696 0.303 4.73 4 123.6 133.9
135 5 1 -1 32.893 65.786 0.304 4.72 4 97.6 83.3
136 2 3 1 32.895 65.789 0.304 4.72 4 71.0 44.1
137 4 0 2 33.047 66.095 0.305 4.67 2 1.7 0.0
138 3 0 -6 33.128 66.256 0.305 4.65 2 23.9 2.4
139 2 2 -5 33.145 66.289 0.306 4.64 4 46.4 18.5
140 1 0 -6 33.288 66.576 0.307 4.6 2 185.7 146.8
141 5 0 0 33.36 66.72 0.307 4.58 2 86.0 31.4
142 2 3 -3 33.462 66.925 0.308 4.55 4 35.5 10.6
143 1 2 -5 33.463 66.926 0.308 4.55 4 54.7 25.2
144 0 3 3 33.542 67.084 0.309 4.53 4 104.4 91.3
145 4 2 -4 33.816 67.632 0.311 4.45 4 205.6 348.3
146 5 1 -4 33.953 67.906 0.312 4.41 4 97.6 77.7
147 2 1 -6 33.98 67.96 0.312 4.4 4 63.9 33.3
148 1 1 5 34.035 68.071 0.313 4.39 4 142.4 164.9
149 3 3 -1 34.083 68.167 0.313 4.38 4 162.1 212.8
150 3 3 -2 34.293 68.586 0.315 4.32 4 34.9 9.8
151 3 2 -5 34.329 68.658 0.315 4.31 4 32.2 8.3
152 4 1 2 34.566 69.133 0.317 4.25 4 138.4 150.8
153 3 1 -6 34.645 69.291 0.318 4.23 4 83.7 54.9
154 1 1 -6 34.802 69.604 0.319 4.19 4 4.3 0.1
155 5 1 0 34.872 69.745 0.32 4.18 4 44.2 15.1
156 3 3 0 35.029 70.058 0.321 4.14 4 33.2 8.4
157 5 0 -5 35.107 70.214 0.321 4.12 2 7.1 0.2
158 0 2 5 35.264 70.528 0.323 4.08 4 62.9 29.9
159 4 0 -6 35.286 70.571 0.323 4.08 2 157.3 93.5
160 4 2 1 35.311 70.621 0.323 4.07 4 5.0 0.2
161 0 0 6 35.596 71.192 0.325 4.01 2 47.2 8.3
162 3 3 -3 35.649 71.298 0.326 4.0 4 62.0 28.4
163 2 3 2 35.653 71.306 0.326 3.99 4 19.4 2.8
164 1 3 3 35.804 71.607 0.327 3.96 4 11.3 0.9
165 1 3 -4 36.282 72.563 0.331 3.86 4 31.0 6.9
166 5 0 1 36.462 72.924 0.332 3.82 2 8.5 0.3
167 2 3 -4 36.472 72.945 0.332 3.82 4 31.7 7.1
168 5 1 -5 36.586 73.173 0.333 3.8 4 54.6 21.0
169 5 2 -2 36.59 73.179 0.333 3.8 4 18.7 2.5
170 4 1 -6 36.762 73.524 0.335 3.77 4 62.6 27.3
171 3 0 4 36.796 73.592 0.335 3.76 2 14.7 0.8
172 5 2 -3 36.929 73.857 0.336 3.73 4 17.1 2.0
173 4 2 -5 36.948 73.897 0.336 3.73 4 11.3 0.9
174 2 2 4 37.062 74.124 0.337 3.71 4 15.0 1.5
175 0 1 6 37.067 74.135 0.337 3.71 4 41.1 11.6
176 3 3 1 37.091 74.182 0.337 3.7 4 33.2 7.6
177 3 2 3 37.233 74.467 0.338 3.68 4 35.6 8.6
178 2 0 5 37.253 74.506 0.338 3.67 2 44.3 6.7
179 5 2 -1 37.374 74.747 0.339 3.65 4 105.5 75.2
180 6 0 -3 37.533 75.067 0.341 3.62 2 19.3 1.2
181 0 3 4 37.535 75.071 0.341 3.62 4 68.6 31.6
182 6 0 -2 37.688 75.376 0.342 3.6 2 43.6 6.3
183 4 0 3 37.912 75.824 0.343 3.56 2 94.3 29.3
184 5 1 1 37.921 75.841 0.344 3.56 4 66.4 29.0
185 3 3 -4 38.099 76.199 0.345 3.53 4 17.1 1.9
186 3 1 4 38.25 76.499 0.346 3.5 4 3.0 0.1
187 5 2 -4 38.379 76.759 0.347 3.48 4 69.7 31.3
188 4 3 -2 38.385 76.769 0.347 3.48 4 14.9 1.4
189 2 2 -6 38.405 76.81 0.347 3.48 4 138.1 122.8
190 1 2 5 38.458 76.915 0.348 3.47 4 35.0 7.9
191 6 0 -4 38.491 76.982 0.348 3.47 2 129.5 53.8
192 4 3 -1 38.671 77.343 0.349 3.44 4 46.0 13.5
193 2 1 5 38.701 77.401 0.35 3.43 4 127.3 103.1
194 0 4 0 38.774 77.548 0.35 3.42 2 292.6 271.4
195 5 0 -6 38.815 77.629 0.35 3.42 2 25.6 2.1
196 2 0 -7 38.86 77.719 0.351 3.41 2 0.1 0.0
197 6 0 -1 38.95 77.9 0.351 3.4 2 37.0 4.3
198 4 2 2 38.964 77.929 0.352 3.39 4 135.6 115.5
199 6 1 -3 38.978 77.956 0.352 3.39 4 45.3 12.9
200 3 0 -7 39.008 78.017 0.352 3.39 2 0.1 0.0
201 3 2 -6 39.04 78.08 0.352 3.38 4 35.4 7.8
202 6 1 -2 39.13 78.261 0.353 3.37 4 35.0 7.7
203 1 2 -6 39.19 78.379 0.353 3.36 4 69.8 30.4
204 4 3 -3 39.203 78.406 0.353 3.36 4 39.0 9.4
205 5 2 0 39.257 78.514 0.354 3.35 4 15.6 1.5
206 1 0 6 39.264 78.528 0.354 3.35 2 11.8 0.4
207 0 4 1 39.325 78.65 0.354 3.34 4 39.1 9.4
208 4 1 3 39.352 78.704 0.354 3.34 4 50.5 15.8
209 2 3 3 39.427 78.855 0.355 3.33 4 36.8 8.4
210 1 4 0 39.482 78.964 0.355 3.32 4 44.6 12.2
211 1 4 -1 39.548 79.096 0.356 3.31 4 23.4 3.4
212 6 1 -4 39.925 79.85 0.359 3.26 4 102.3 63.3
213 4 3 0 40.056 80.112 0.36 3.25 4 32.8 6.5
214 1 0 -7 40.124 80.247 0.36 3.24 2 1.0 0.0
215 1 3 4 40.187 80.374 0.361 3.23 4 93.1 51.9
216 3 3 2 40.209 80.418 0.361 3.23 4 56.6 19.2
217 5 1 -6 40.245 80.49 0.361 3.22 4 27.7 4.6
218 2 1 -7 40.29 80.58 0.361 3.22 4 47.7 13.5
219 6 1 -1 40.379 80.758 0.362 3.21 4 85.0 42.9
220 3 1 -7 40.437 80.875 0.363 3.2 4 56.2 18.7
221 2 3 -5 40.484 80.967 0.363 3.2 4 8.5 0.4
222 1 4 1 40.511 81.022 0.363 3.19 4 50.5 15.1
223 6 0 -5 40.536 81.073 0.363 3.19 2 42.2 5.3
224 5 0 2 40.559 81.118 0.363 3.19 2 90.9 24.4
225 4 0 -7 40.566 81.132 0.364 3.19 2 4.6 0.1
226 1 1 6 40.69 81.381 0.364 3.17 4 48.2 13.6
227 1 4 -2 40.708 81.417 0.365 3.17 4 18.3 2.0
228 1 3 -5 40.779 81.558 0.365 3.16 4 9.4 0.5
229 5 2 -5 40.906 81.812 0.366 3.15 4 4.3 0.1
230 0 4 2 40.967 81.933 0.366 3.14 4 35.0 7.1
231 4 2 -6 41.076 82.152 0.367 3.13 4 53.6 16.7
232 4 3 -4 41.108 82.216 0.368 3.13 4 6.6 0.3
233 2 4 -1 41.175 82.349 0.368 3.12 4 17.7 1.8
234 6 0 0 41.291 82.581 0.369 3.11 2 29.2 2.5
235 0 2 6 41.372 82.744 0.369 3.1 4 74.4 31.8
236 1 1 -7 41.543 83.086 0.371 3.08 4 22.2 2.8
237 2 4 0 41.587 83.174 0.371 3.08 4 14.7 1.2
238 3 3 -5 41.588 83.176 0.371 3.08 4 57.2 18.6
239 2 4 -2 41.849 83.697 0.373 3.05 4 3.4 0.1
240 6 1 -5 41.953 83.906 0.374 3.04 4 50.3 14.3
241 5 1 2 41.976 83.951 0.374 3.04 4 78.4 34.6
242 4 1 -7 41.982 83.965 0.374 3.04 4 98.5 54.6
243 5 2 1 42.201 84.403 0.375 3.02 4 16.8 1.6
244 0 3 5 42.469 84.938 0.377 3.0 4 27.5 4.2
245 4 3 1 42.513 85.027 0.378 2.99 4 24.8 3.4
246 3 2 4 42.522 85.044 0.378 2.99 4 31.5 5.5
247 1 4 2 42.619 85.237 0.379 2.98 4 22.3 2.8
248 6 1 0 42.703 85.406 0.379 2.98 4 12.3 0.8
249 0 0 7 42.771 85.543 0.38 2.97 2 95.6 25.1
250 1 4 -3 42.945 85.889 0.381 2.96 4 25.9 3.7
251 2 2 5 42.963 85.926 0.381 2.96 4 8.2 0.4
252 2 4 1 43.081 86.163 0.382 2.95 4 71.5 27.9
253 3 0 5 43.182 86.364 0.383 2.94 2 109.8 32.8
254 6 2 -3 43.234 86.469 0.383 2.94 4 14.7 1.2
255 6 2 -2 43.384 86.768 0.384 2.93 4 94.1 48.0
256 5 0 -7 43.501 87.001 0.385 2.92 2 48.7 6.4
257 4 2 3 43.601 87.203 0.386 2.91 4 102.5 56.6
258 2 4 -3 43.602 87.204 0.386 2.91 4 46.2 11.5
259 6 0 -6 43.64 87.28 0.386 2.91 2 89.1 21.4
260 4 0 4 43.655 87.31 0.386 2.91 2 119.8 38.6
261 0 4 3 43.675 87.351 0.386 2.91 4 12.1 0.8
262 5 3 -2 43.732 87.463 0.386 2.9 4 36.9 7.3
263 5 3 -3 44.057 88.114 0.389 2.88 4 32.8 5.7
264 4 3 -5 44.076 88.152 0.389 2.88 4 97.8 51.0
265 6 2 -4 44.164 88.329 0.389 2.87 4 135.0 96.9
266 3 4 -1 44.177 88.353 0.39 2.87 4 2.1 0.0
267 0 1 7 44.178 88.356 0.39 2.87 4 44.0 10.3
268 2 3 4 44.185 88.371 0.39 2.87 4 57.0 17.3
269 2 0 6 44.227 88.453 0.39 2.87 2 44.0 5.1
270 3 3 3 44.35 88.7 0.391 2.86 4 35.6 6.7
271 3 4 -2 44.372 88.743 0.391 2.86 4 99.1 52.1
272 5 2 -6 44.48 88.961 0.392 2.86 4 99.6 52.5
273 5 3 -1 44.486 88.971 0.392 2.86 4 99.2 52.1
274 2 2 -7 44.524 89.049 0.392 2.85 4 6.4 0.2
275 3 1 5 44.588 89.175 0.392 2.85 4 6.6 0.2
276 6 2 -1 44.612 89.225 0.393 2.85 4 108.9 62.6
277 3 2 -7 44.67 89.34 0.393 2.85 4 26.5 3.7
278 6 0 1 44.685 89.371 0.393 2.84 2 57.3 8.7
279 5 1 -7 44.906 89.811 0.395 2.83 4 88.9 41.5
280 1 2 6 44.92 89.84 0.395 2.83 4 28.7 4.3
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 0 0 1 5.567 11.134 9.22021 657.7 40.7 41.5 5.6
2 1 0 0 6.314 12.628 8.13296 578.7 35.8 36.4 5.6
3 1 0 -1 6.605 13.21 7.77652 149.0 9.2 9.4 5.6
4 1 0 1 9.938 19.876 5.1829 238.8 14.8 15.0 5.6
5 1 0 -2 10.496 20.992 4.91001 42.5 2.6 2.7 5.6
6 0 1 1 10.613 21.227 4.85639 133.9 8.3 8.4 5.6
7 1 1 0 11.03 22.061 4.67494 332.3 20.6 20.8 5.6
8 0 0 2 11.188 22.375 4.6101 145.5 9.0 9.1 5.6
9 2 0 -1 11.717 23.434 4.40458 32.4 2.0 2.0 5.6
10 2 0 0 12.707 25.413 4.06648 40.4 2.5 2.5 5.6
11 1 1 1 13.475 26.949 3.83866 27.6 1.7 1.7 5.6
12 1 1 -2 13.899 27.797 3.72375 191.7 11.9 11.9 5.6
13 0 1 2 14.437 28.874 3.58772 160.7 9.9 10.0 5.6
14 2 1 -1 14.858 29.716 3.48826 669.4 41.4 41.7 5.6
15 1 0 -3 15.561 31.122 3.33427 24.6 1.5 1.5 5.6
16 2 1 0 15.664 31.327 3.31295 241.7 15.0 15.0 5.6
17 2 0 1 15.823 31.646 3.28042 218.8 13.5 13.6 5.6
18 2 1 -2 16.157 32.313 3.21443 94.6 5.9 5.9 5.6
19 2 0 -3 16.788 33.575 3.09688 47.6 2.9 3.0 5.7
20 1 1 2 17.538 35.076 2.96828 80.6 5.0 5.0 5.7
21 1 1 -3 18.096 36.192 2.87972 1616.2 100.0 100.0 5.7
22 3 0 -2 18.131 36.263 2.87427 301.3 18.6 18.6 5.7
23 0 2 0 18.248 36.495 2.85655 737.3 45.6 45.6 5.7
24 2 1 1 18.326 36.651 2.84481 235.2 14.6 14.5 5.7
25 0 2 1 19.136 38.272 2.7286 53.1 3.3 3.3 5.7
26 2 1 -3 19.18 38.359 2.7226 44.8 2.8 2.8 5.7
27 3 0 0 19.265 38.53 2.71099 133.2 8.2 8.2 5.7
28 0 1 3 19.297 38.595 2.70661 495.9 30.7 30.6 5.7
29 1 2 0 19.383 38.766 2.69514 472.5 29.2 29.2 5.7
30 1 2 -1 19.486 38.973 2.68137 21.2 1.3 1.3 5.7
31 3 1 -1 20.087 40.173 2.6044 900.5 55.7 55.5 5.7
32 2 0 2 20.191 40.383 2.59145 523.9 32.4 32.3 5.7
33 1 0 3 20.411 40.822 2.56477 34.5 2.1 2.1 5.7
34 1 2 1 20.949 41.898 2.50174 74.0 4.6 4.6 5.7
35 1 0 -4 21.097 42.195 2.48494 61.9 3.8 3.8 5.7
36 1 2 -2 21.239 42.478 2.46909 63.9 4.0 3.9 5.7
37 2 0 -4 21.367 42.734 2.455 65.3 4.0 4.0 5.7
38 3 1 0 21.42 42.84 2.44923 46.9 2.9 2.9 5.7
39 0 2 2 21.615 43.23 2.42819 35.0 2.2 2.2 5.7
40 2 2 -1 21.914 43.828 2.39665 26.6 1.6 1.6 5.7
41 3 1 -3 22.267 44.533 2.36056 177.7 11.0 10.9 5.7
42 1 1 3 22.475 44.95 2.3398 26.6 1.6 1.6 5.7
43 2 2 -2 22.864 45.728 2.30208 173.6 10.7 10.6 5.7
44 1 1 -4 23.112 46.224 2.27872 36.1 2.2 2.2 5.7
45 2 1 -4 23.363 46.726 2.25557 51.4 3.2 3.1 5.7
46 3 0 -4 23.587 47.174 2.23535 87.1 5.4 5.3 5.7
47 1 2 2 23.916 47.831 2.20642 110.3 6.8 6.7 5.7
48 4 0 -2 23.963 47.926 2.20229 25.4 1.6 1.6 5.7
49 3 1 1 24.168 48.335 2.18477 40.4 2.5 2.5 5.7
50 4 0 -1 24.337 48.674 2.17046 406.5 25.1 24.8 5.7
51 2 2 1 24.532 49.064 2.15426 249.6 15.4 15.2 5.7
52 0 1 4 24.736 49.472 2.13762 110.1 6.8 6.7 5.7
53 4 0 -3 25.022 50.045 2.1147 72.0 4.5 4.4 5.7
54 2 2 -3 25.213 50.427 2.09971 364.5 22.6 22.2 5.8
55 0 2 3 25.308 50.617 2.09235 393.3 24.3 24.0 5.8
56 3 1 -4 25.447 50.895 2.08168 16.8 1.0 1.0 5.8
57 4 1 -1 26.158 52.316 2.02897 55.7 3.4 3.4 5.8
58 3 2 -2 26.197 52.395 2.02612 55.3 3.4 3.4 5.8
59 3 0 2 26.289 52.579 2.01953 19.2 1.2 1.2 5.8
60 2 0 -5 26.629 53.258 1.99563 38.4 2.4 2.3 5.8
61 4 1 -3 26.809 53.618 1.9832 28.1 1.7 1.7 5.8
62 1 0 -5 26.992 53.983 1.97079 17.9 1.1 1.1 5.8
63 2 1 3 27.081 54.162 1.96475 47.5 2.9 2.9 5.8
64 4 0 -4 27.392 54.785 1.94413 49.2 3.0 3.0 5.8
65 2 2 2 27.777 55.554 1.91933 365.7 22.6 22.1 5.8
66 4 1 0 27.836 55.673 1.91555 19.6 1.2 1.2 5.8
67 1 2 3 27.95 55.899 1.90841 67.9 4.2 4.1 5.8
68 1 1 4 27.992 55.985 1.90573 206.0 12.7 12.5 5.8
69 2 2 -4 28.712 57.424 1.86187 120.5 7.5 7.3 5.8
70 1 3 0 28.842 57.684 1.85421 57.0 3.5 3.4 5.8
71 0 0 5 29.016 58.032 1.84404 41.2 2.6 2.5 5.8
72 3 1 -5 29.635 59.269 1.80894 34.2 2.1 2.1 5.8
73 0 2 4 29.909 59.818 1.79386 53.7 3.3 3.2 5.8
74 1 3 -2 30.25 60.501 1.7755 19.5 1.2 1.2 5.8
75 5 0 -2 30.478 60.957 1.76349 46.9 2.9 2.8 5.8
76 3 2 -4 30.537 61.074 1.76041 51.2 3.2 3.1 5.8
77 2 3 -1 30.778 61.556 1.74798 99.8 6.2 6.0 5.8
78 4 2 -2 30.853 61.706 1.74413 63.7 3.9 3.8 5.8
79 2 0 4 30.994 61.988 1.73698 27.2 1.7 1.6 5.8
80 4 2 -1 31.169 62.339 1.72819 83.4 5.2 5.0 5.8
81 2 3 0 31.241 62.482 1.72462 44.9 2.8 2.7 5.8
82 5 0 -1 31.333 62.666 1.72007 52.8 3.3 3.2 5.8
83 2 3 -2 31.534 63.067 1.71026 19.9 1.2 1.2 5.9
84 4 2 -3 31.753 63.507 1.69964 16.4 1.0 1.0 5.9
85 2 2 3 31.999 63.997 1.68799 36.4 2.3 2.2 5.9
86 2 0 -6 32.447 64.895 1.66714 243.3 15.1 14.5 5.9
87 1 0 5 32.504 65.008 1.66454 18.1 1.1 1.1 5.9
88 2 1 4 32.563 65.126 1.66187 32.2 2.0 1.9 5.9
89 4 2 0 32.682 65.364 1.65648 74.2 4.6 4.4 5.9
90 1 3 -3 32.745 65.49 1.65365 240.3 14.9 14.3 5.9
91 3 2 2 32.848 65.696 1.64904 185.7 11.5 11.1 5.9
92 5 1 -1 32.893 65.786 1.64704 127.4 7.9 7.6 5.9
93 2 2 -5 33.145 66.289 1.63595 20.9 1.3 1.2 5.9
94 1 0 -6 33.288 66.576 1.62971 146.8 9.1 8.7 5.9
95 5 0 0 33.36 66.72 1.62659 31.4 1.9 1.9 5.9
96 1 2 -5 33.463 66.926 1.62218 35.8 2.2 2.1 5.9
97 0 3 3 33.542 67.084 1.6188 91.3 5.6 5.4 5.9
98 4 2 -4 33.816 67.632 1.60721 348.3 21.6 20.7 5.9
99 5 1 -4 33.953 67.906 1.60149 111.1 6.9 6.6 5.9
100 1 1 5 34.035 68.071 1.59809 164.9 10.2 9.8 5.9
101 3 3 -1 34.083 68.167 1.59611 212.8 13.2 12.6 5.9
102 4 1 2 34.566 69.133 1.57652 150.8 9.3 8.9 5.9
103 3 1 -6 34.645 69.291 1.57338 54.9 3.4 3.3 5.9
104 4 0 -6 35.286 70.571 1.54844 123.4 7.6 7.3 5.9
105 3 3 -3 35.649 71.298 1.53472 31.2 1.9 1.8 5.9
106 5 1 -5 36.586 73.173 1.50069 23.4 1.4 1.4 6.0
107 4 1 -6 36.762 73.524 1.49452 27.3 1.7 1.6 6.0
108 3 3 1 37.091 74.182 1.48315 20.7 1.3 1.2 6.0
109 5 2 -1 37.374 74.747 1.47355 75.2 4.7 4.4 6.0
110 0 3 4 37.535 75.071 1.46813 32.9 2.0 1.9 6.0
111 4 0 3 37.912 75.824 1.45571 58.3 3.6 3.4 6.0
112 2 2 -6 38.405 76.81 1.43986 155.6 9.6 9.1 6.0
113 6 0 -4 38.491 76.982 1.43713 53.8 3.3 3.1 6.0
114 2 1 5 38.701 77.401 1.43056 116.6 7.2 6.8 6.0
115 0 4 0 38.774 77.548 1.42828 271.4 16.8 15.8 6.0
116 6 1 -3 38.978 77.956 1.42199 132.7 8.2 7.7 6.0
117 1 2 -6 39.19 78.379 1.41554 39.8 2.5 2.3 6.0
118 4 1 3 39.352 78.704 1.41063 25.2 1.6 1.5 6.0
119 6 1 -4 39.925 79.85 1.39371 63.3 3.9 3.7 6.0
120 1 3 4 40.187 80.374 1.38615 71.0 4.4 4.1 6.0
121 6 1 -1 40.379 80.758 1.38067 42.9 2.7 2.5 6.1
122 3 1 -7 40.437 80.875 1.37903 18.7 1.2 1.1 6.1
123 1 4 1 40.511 81.022 1.37695 20.3 1.3 1.2 6.1
124 5 0 2 40.559 81.118 1.3756 24.4 1.5 1.4 6.1
125 4 2 -6 41.076 82.152 1.3613 16.7 1.0 1.0 6.1
126 0 2 6 41.372 82.744 1.35331 31.8 2.0 1.8 6.1
127 3 3 -5 41.588 83.176 1.34754 19.9 1.2 1.1 6.1
128 4 1 -7 41.982 83.965 1.3372 103.4 6.4 5.9 6.1
129 0 0 7 42.771 85.543 1.31717 25.1 1.6 1.4 6.1
130 2 4 1 43.081 86.163 1.30954 27.9 1.7 1.6 6.1
131 3 0 5 43.182 86.364 1.30708 32.8 2.0 1.9 6.1
132 6 2 -2 43.384 86.768 1.3022 48.0 3.0 2.7 6.1
133 4 2 3 43.601 87.203 1.297 68.0 4.2 3.9 6.2
134 4 0 4 43.655 87.31 1.29573 60.0 3.7 3.4 6.2
135 4 3 -5 44.076 88.152 1.28586 56.8 3.5 3.2 6.2
136 6 2 -4 44.164 88.329 1.28382 124.5 7.7 7.1 6.2
137 3 4 -2 44.372 88.743 1.27906 58.8 3.6 3.3 6.2
138 5 2 -6 44.48 88.961 1.27659 104.5 6.5 5.9 6.2
139 6 2 -1 44.612 89.225 1.2736 62.6 3.9 3.5 6.2
140 5 1 -7 44.906 89.811 1.26705 45.8 2.8 2.6 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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