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 ***
***********************
FERROERICSSONITE
1
BaFe++(2)Fe+++[Si(2)O(7)]O(OH,Cl)
Monoclinic C 2/m Z = 4
R =0.0356 NR =885
18 .8 .11
Ref.Str.:
Kampf A.R., Roberts A.C., Venance K.E., Dunning G.E., Walstrom R.E. (2011)
* Canad. Mineral., 49, 587-594
R: from Esquire #8 claim, Big Creek, eastern Fresno County, California, USA.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 20.3459 alpha = 90.0
b = 7.0119 beta = 94.87
c = 5.3879 gamma = 90.0
Unit cell volume (cub. angs.) = 765.88
Molar volume ( cub.cm/mol.) = 115.33
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2251 0.0 0.2414 0.0 Ba = 1.00
2 0.0 0.2615 0.0 0.0 Fe = 1.00
3 0.0 0.0 0.5 0.0 Fe = 1.00
4 0.0 0.5 0.5 0.0 Fe = 1.00
5 0.1403 0.5 0.2158 0.0 Fe = 1.00
6 0.1343 0.2257 0.7125 0.0 Si = 1.00
7 0.1574 0.0 0.7195 0.0 O = 1.00
8 0.0547 0.2455 0.6846 0.0 O = 1.00
9 0.1686 0.309 0.9732 0.0 O = 1.00
10 0.169 0.3092 0.4761 0.0 O = 1.00
11 0.0497 0.5 0.1922 0.0 O = 1.00
12 0.0555 0.0 0.1802 0.0 OH = 0.77, Cl = 0.23
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2251 0.0 0.2414
2 2 0.0 0.2615 0.0
3 3 0.0 0.0 0.5
4 4 0.0 0.5 0.5
5 5 0.1403 0.5 0.2158
6 6 0.1343 0.2257 0.7125
7 7 0.1574 0.0 0.7195
8 8 0.0547 0.2455 0.6846
9 9 0.1686 0.309 0.9732
10 10 0.169 0.3092 0.4761
11 11 0.0497 0.5 0.1922
12 12 0.0555 0.0 0.1802
13 1 0.775 0.0 0.7586
14 2 0.0 0.7385 0.0
15 5 0.8597 0.5 0.7842
16 6 0.8657 0.7743 0.2875
17 7 0.8426 0.0 0.2805
18 8 0.9453 0.7545 0.3154
19 9 0.8314 0.691 0.0268
20 10 0.831 0.6908 0.5239
21 11 0.9503 0.5 0.8078
22 12 0.9445 0.0 0.8198
23 6 0.1343 0.7743 0.7125
24 8 0.0547 0.7545 0.6846
25 9 0.1686 0.691 0.9732
26 10 0.169 0.6908 0.4761
27 6 0.8657 0.2257 0.2875
28 8 0.9453 0.2455 0.3154
29 9 0.8314 0.309 0.0268
30 10 0.831 0.3092 0.5239
31 1 0.725 0.5 0.2414
32 2 0.5 0.2385 0.0
33 3 0.5 0.5 0.5
34 4 0.5 0.0 0.5
35 5 0.6403 0.0 0.2158
36 6 0.6343 0.2743 0.7125
37 7 0.6574 0.5 0.7195
38 8 0.5547 0.2545 0.6846
39 9 0.6686 0.191 0.9732
40 10 0.669 0.1908 0.4761
41 11 0.5497 0.0 0.1922
42 12 0.5555 0.5 0.1802
43 1 0.275 0.5 0.7586
44 2 0.5 0.7615 0.0
45 5 0.3597 0.0 0.7842
46 6 0.3657 0.7257 0.2875
47 7 0.3426 0.5 0.2805
48 8 0.4453 0.7455 0.3154
49 9 0.3314 0.809 0.0268
50 10 0.331 0.8092 0.5239
51 11 0.4503 0.0 0.8078
52 12 0.4445 0.5 0.8198
53 6 0.6343 0.7257 0.7125
54 8 0.5547 0.7455 0.6846
55 9 0.6686 0.809 0.9732
56 10 0.669 0.8092 0.4761
57 6 0.3657 0.2743 0.2875
58 8 0.4453 0.2545 0.3154
59 9 0.3314 0.191 0.0268
60 10 0.331 0.1908 0.5239
X-ray density (g/cm cub.) = 4.42
MU (1/cm) = 706.586 Mass attenuation coefficient (cm**2/g) = 159.711
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.828 11
3.0218 7
3.0241 7
2.7966 9
2.8011 10
3.4374 12
2.7966 9
2.8011 10
2.8706 9
2.8632 10
2.8706 9
2.8632 10
2 Fe 3.132 6
2.1115 8
2.1709 11
2.3226 12
2.1709 11
2.3226 12
2.1115 8
3 Fe 3.132 6
2.2364 8
2.1388 12
2.2364 8
2.1388 12
2.2364 8
2.2364 8
4 Fe 3.132 6
2.2853 8
2.0144 11
2.2853 8
2.0144 11
2.2853 8
2.2853 8
5 Fe 3.132 5
1.9905 9
1.9897 10
1.8361 11
1.9905 9
1.9897 10
6 Si 2.64 4
1.6501 7
1.6207 8
1.623 9
1.6172 10
7 O 3.804 8
2.7021 8
2.5616 9
2.555 10
3.3666 12
3.4231 12
2.7021 8
2.5616 9
2.555 10
8 O 3.804 12
2.7021 7
2.7159 9
2.7045 10
3.2743 11
3.1918 11
3.1759 12
3.2183 12
2.8936 11
2.9656 12
3.5691 8
3.4428 8
2.8552 8
9 O 3.804 9
2.5616 7
2.7159 8
2.7089 10
2.679 10
3.0856 11
3.4158 12
2.6785 9
3.7874 10
3.4033 9
10 O 3.804 9
2.555 7
2.7045 8
2.679 9
2.7089 9
3.0639 11
3.4564 12
3.7874 9
2.6757 10
3.3887 10
11 O 3.804 13
3.1918 8
3.2743 8
3.0856 9
3.0639 10
3.5087 12
3.5087 12
2.8936 8
2.7691 11
3.1918 8
3.2743 8
3.0856 9
3.0639 10
2.8936 8
12 OH ,Cl 4.344 16
3.4231 7
3.3666 7
3.2183 8
3.1759 8
3.4158 9
3.4564 10
3.5087 11
3.5087 11
2.9656 8
4.2777 12
2.8506 12
3.2183 8
3.1759 8
3.4158 9
3.4564 10
2.9656 8
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 5.063 10.125 0.049 253.86 2 10.2 9.0
2 1 1 0 7.757 15.515 0.075 106.83 4 22.6 37.1
3 0 0 1 9.591 19.182 0.093 69.12 2 5.3 0.7
4 4 0 0 10.165 20.331 0.099 61.3 2 127.2 338.4
5 2 0 -1 10.474 20.949 0.102 57.61 2 29.5 17.1
6 3 1 0 10.593 21.186 0.103 56.28 4 13.0 6.5
7 2 0 1 11.248 22.496 0.109 49.67 2 43.5 32.1
8 1 1 -1 12.21 24.42 0.118 41.84 4 78.3 175.0
9 1 1 1 12.552 25.104 0.121 39.48 4 115.3 357.6
10 4 0 -1 13.426 26.852 0.13 34.25 2 86.3 86.9
11 3 1 -1 13.912 27.824 0.134 31.76 4 208.7 943.1
12 4 0 1 14.643 29.286 0.141 28.48 2 116.1 130.9
13 5 1 0 14.764 29.528 0.142 27.98 4 129.0 317.6
14 0 2 0 14.781 29.562 0.143 27.91 2 154.4 226.9
15 3 1 1 14.806 29.611 0.143 27.81 4 234.3 1040.9
16 6 0 0 15.351 30.702 0.148 25.74 2 219.2 421.6
17 2 2 0 15.662 31.323 0.151 24.65 4 152.5 390.9
18 5 1 -1 17.1 34.199 0.164 20.38 4 254.5 899.9
19 6 0 -1 17.493 34.985 0.168 19.39 2 164.3 178.6
20 0 2 1 17.741 35.482 0.17 18.81 4 84.8 92.2
21 4 2 0 18.073 36.145 0.173 18.06 4 168.2 348.5
22 2 2 -1 18.256 36.513 0.175 17.66 4 101.9 125.1
23 5 1 1 18.334 36.669 0.176 17.5 4 240.4 689.5
24 2 2 1 18.732 37.465 0.18 16.69 4 394.8 1773.8
25 6 0 1 18.939 37.878 0.181 16.29 2 174.4 169.0
26 0 0 2 19.465 38.93 0.186 15.33 2 163.2 139.3
27 7 1 0 19.522 39.043 0.187 15.23 4 243.3 615.1
28 2 0 -2 19.718 39.436 0.189 14.9 2 370.2 696.2
29 4 2 -1 20.18 40.359 0.193 14.15 4 224.0 484.0
30 2 0 2 20.603 41.206 0.197 13.51 2 162.7 122.0
31 8 0 0 20.67 41.339 0.197 13.41 2 202.8 188.1
32 1 1 -2 20.857 41.714 0.199 13.15 4 6.3 0.4
33 4 2 1 21.049 42.097 0.201 12.88 4 123.4 133.7
34 7 1 -1 21.192 42.384 0.202 12.69 4 123.7 132.4
35 1 1 2 21.284 42.568 0.203 12.56 4 38.5 12.7
36 4 0 -2 21.321 42.642 0.203 12.51 2 166.3 118.0
37 6 2 0 21.571 43.143 0.206 12.19 4 129.3 138.9
38 3 1 -2 21.752 43.505 0.207 11.96 4 48.8 19.4
39 8 0 -1 22.167 44.334 0.211 11.47 2 163.9 105.1
40 7 1 1 22.639 45.278 0.215 10.93 4 39.7 11.8
41 1 3 0 22.658 45.315 0.215 10.91 4 23.4 4.1
42 4 0 2 22.961 45.923 0.218 10.59 2 57.7 12.0
43 3 1 2 22.973 45.946 0.218 10.58 4 88.8 56.9
44 6 2 -1 23.22 46.439 0.22 10.32 4 72.0 36.5
45 8 0 1 23.761 47.522 0.225 9.8 2 158.5 83.9
46 5 1 -2 23.85 47.7 0.226 9.72 4 128.9 110.1
47 3 3 0 23.887 47.774 0.226 9.68 4 62.9 26.1
48 6 0 -2 24.054 48.108 0.228 9.53 2 288.5 270.4
49 6 2 1 24.383 48.766 0.231 9.24 4 251.3 397.9
50 9 1 0 24.651 49.302 0.233 9.01 4 174.9 188.1
51 1 3 -1 24.722 49.445 0.234 8.95 4 135.0 111.3
52 0 2 2 24.814 49.629 0.235 8.88 4 254.0 390.7
53 1 3 1 24.91 49.821 0.235 8.8 4 104.7 65.8
54 2 2 -2 25.024 50.047 0.236 8.71 4 229.5 312.8
55 3 3 -1 25.694 51.389 0.242 8.2 4 136.6 104.4
56 5 1 2 25.73 51.461 0.243 8.18 4 185.2 191.2
57 2 2 2 25.763 51.525 0.243 8.15 4 168.3 157.4
58 8 2 0 25.819 51.638 0.243 8.11 4 75.4 31.4
59 9 1 -1 25.877 51.754 0.244 8.07 4 67.9 25.3
60 10 0 0 26.182 52.364 0.247 7.86 2 79.6 17.0
61 5 3 0 26.214 52.428 0.247 7.84 4 210.0 235.6
62 3 3 1 26.24 52.48 0.247 7.82 4 186.3 185.1
63 6 0 2 26.286 52.572 0.248 7.79 2 260.1 179.7
64 4 2 -2 26.37 52.74 0.248 7.73 4 127.9 86.2
65 7 1 -2 26.937 53.874 0.253 7.37 4 184.9 171.7
66 8 2 -1 27.095 54.19 0.255 7.27 4 210.3 219.2
67 10 0 -1 27.271 54.542 0.256 7.16 2 156.5 59.8
68 9 1 1 27.483 54.965 0.258 7.04 4 72.9 25.5
69 8 0 -2 27.67 55.34 0.26 6.93 2 30.1 2.1
70 5 3 -1 27.739 55.477 0.26 6.89 4 201.1 190.0
71 4 2 2 27.783 55.566 0.261 6.87 4 62.5 18.3
72 8 2 1 28.483 56.967 0.267 6.49 4 79.2 27.7
73 5 3 1 28.599 57.197 0.268 6.43 4 159.5 111.5
74 6 2 -2 28.741 57.483 0.269 6.36 4 33.8 4.9
75 10 0 1 28.993 57.985 0.271 6.23 2 159.0 53.7
76 7 1 2 29.347 58.694 0.274 6.07 4 164.8 112.3
77 7 3 0 29.457 58.915 0.275 6.01 4 189.3 147.0
78 0 0 3 29.99 59.98 0.279 5.78 2 19.1 0.7
79 2 0 -3 30.009 60.018 0.28 5.77 2 20.8 0.8
80 11 1 0 30.121 60.242 0.281 5.72 4 124.2 60.2
81 8 0 2 30.371 60.741 0.283 5.62 2 30.9 1.8
82 1 3 -2 30.457 60.914 0.283 5.58 4 43.2 7.1
83 10 2 0 30.642 61.284 0.285 5.51 4 22.1 1.8
84 0 4 0 30.681 61.361 0.285 5.49 2 512.9 492.6
85 7 3 -1 30.713 61.427 0.286 5.48 4 91.1 31.0
86 6 2 2 30.736 61.472 0.286 5.47 4 3.7 0.1
87 1 3 2 30.784 61.568 0.286 5.45 4 93.5 32.5
88 9 1 -2 30.821 61.643 0.286 5.44 4 149.4 82.7
89 1 1 -3 30.939 61.877 0.287 5.39 4 70.0 18.0
90 2 0 3 30.991 61.982 0.288 5.37 2 60.2 6.6
91 11 1 -1 31.038 62.076 0.288 5.35 4 51.8 9.8
92 4 0 -3 31.048 62.096 0.288 5.35 2 55.7 5.7
93 3 3 -2 31.146 62.292 0.289 5.31 4 62.3 14.1
94 2 4 0 31.187 62.373 0.289 5.3 4 12.3 0.5
95 1 1 3 31.423 62.847 0.291 5.21 4 113.5 45.8
96 3 1 -3 31.461 62.922 0.292 5.2 4 126.5 56.7
97 10 2 -1 31.63 63.261 0.293 5.13 4 57.8 11.7
98 7 3 1 31.843 63.685 0.295 5.06 4 74.8 19.3
99 12 0 0 31.969 63.939 0.296 5.02 2 44.6 3.4
100 10 0 -2 31.995 63.99 0.296 5.01 2 316.8 171.3
101 8 2 -2 31.995 63.99 0.296 5.01 4 1.3 0.0
102 3 3 2 32.108 64.216 0.297 4.97 4 0.3 0.0
103 0 4 1 32.464 64.928 0.3 4.85 4 6.2 0.1
104 4 4 0 32.678 65.355 0.302 4.78 4 142.7 66.5
105 12 0 -1 32.778 65.557 0.303 4.75 2 155.8 39.3
106 11 1 1 32.793 65.586 0.303 4.75 4 45.1 6.6
107 2 4 -1 32.797 65.595 0.303 4.75 4 38.1 4.7
108 5 3 -2 32.814 65.628 0.303 4.74 4 32.2 3.4
109 3 1 3 32.89 65.78 0.304 4.72 4 213.3 146.4
110 4 0 3 32.959 65.919 0.304 4.7 2 119.2 22.8
111 5 1 -3 32.963 65.927 0.304 4.7 4 207.3 137.6
112 6 0 -3 33.051 66.102 0.305 4.67 2 116.3 21.5
113 2 4 1 33.111 66.222 0.305 4.65 4 56.1 10.0
114 10 2 1 33.212 66.424 0.306 4.62 4 406.9 521.9
115 9 3 0 33.469 66.938 0.308 4.55 4 88.9 24.5
116 9 1 2 33.677 67.355 0.31 4.49 4 102.3 32.1
117 4 4 -1 34.097 68.194 0.313 4.37 4 79.4 18.8
118 0 2 3 34.138 68.276 0.314 4.36 4 287.7 246.3
119 2 2 -3 34.156 68.312 0.314 4.36 4 292.5 254.3
120 5 3 2 34.367 68.735 0.316 4.3 4 154.5 70.0
121 9 3 -1 34.49 68.981 0.317 4.27 4 1.8 0.0
122 8 2 2 34.494 68.987 0.317 4.27 4 22.3 1.4
123 12 0 1 34.639 69.278 0.318 4.23 2 150.7 32.8
124 4 4 1 34.711 69.423 0.318 4.22 4 90.4 23.5
125 2 2 3 35.075 70.15 0.321 4.13 4 1.8 0.0
126 6 4 0 35.088 70.177 0.321 4.12 4 81.3 18.6
127 10 0 2 35.104 70.209 0.321 4.12 2 183.2 47.2
128 4 2 -3 35.128 70.256 0.322 4.11 4 7.3 0.1
129 5 1 3 35.276 70.552 0.323 4.08 4 139.9 54.4
130 7 1 -3 35.382 70.765 0.324 4.06 4 143.3 56.8
131 11 1 -2 35.389 70.779 0.324 4.05 4 74.6 15.4
132 7 3 -2 35.39 70.779 0.324 4.05 4 228.4 144.2
133 6 0 3 35.814 71.629 0.327 3.96 2 142.3 27.3
134 9 3 1 35.858 71.717 0.327 3.95 4 46.1 5.7
135 8 0 -3 35.938 71.875 0.328 3.93 2 139.8 26.2
136 13 1 0 35.987 71.974 0.328 3.92 4 111.6 33.3
137 12 2 0 35.996 71.992 0.329 3.92 4 62.1 10.3
138 10 2 -2 36.02 72.04 0.329 3.92 4 44.9 5.4
139 6 4 -1 36.314 72.627 0.331 3.85 4 117.8 36.4
140 13 1 -1 36.679 73.357 0.334 3.78 4 16.4 0.7
141 12 2 -1 36.762 73.524 0.335 3.77 4 430.3 475.4
142 4 2 3 36.934 73.868 0.336 3.73 4 173.1 76.2
143 12 0 -2 36.953 73.906 0.336 3.73 2 206.4 54.2
144 6 2 -3 37.021 74.042 0.337 3.72 4 166.1 69.9
145 6 4 1 37.209 74.419 0.338 3.68 4 130.4 42.7
146 7 3 2 37.487 74.974 0.34 3.63 4 243.9 147.3
147 0 4 2 37.548 75.096 0.341 3.62 4 176.8 77.1
148 2 4 -2 37.713 75.427 0.342 3.59 4 329.8 266.4
149 14 0 0 38.149 76.298 0.345 3.52 2 281.2 94.9
150 11 3 0 38.175 76.351 0.345 3.52 4 13.0 0.4
151 2 4 2 38.303 76.607 0.346 3.49 4 159.1 60.3
152 8 4 0 38.349 76.697 0.347 3.49 4 195.8 91.2
153 7 1 3 38.513 77.026 0.348 3.46 4 4.1 0.0
154 12 2 1 38.538 77.077 0.348 3.46 4 107.4 27.2
155 13 1 1 38.603 77.206 0.349 3.45 4 7.5 0.1
156 9 1 -3 38.65 77.3 0.349 3.44 4 11.2 0.3
157 11 1 2 38.666 77.333 0.349 3.44 4 88.9 18.5
158 14 0 -1 38.753 77.507 0.35 3.43 2 132.4 20.5
159 4 4 -2 38.795 77.591 0.35 3.42 4 112.5 29.5
160 9 3 -2 38.804 77.607 0.35 3.42 4 195.3 88.9
161 1 3 -3 38.909 77.819 0.351 3.4 4 92.2 19.7
162 10 2 2 38.985 77.971 0.352 3.39 4 52.5 6.4
163 11 3 -1 38.999 77.998 0.352 3.39 4 56.3 7.3
164 1 3 3 39.348 78.696 0.354 3.34 4 126.5 36.4
165 3 3 -3 39.382 78.764 0.355 3.34 4 136.1 42.1
166 8 4 -1 39.39 78.781 0.355 3.33 4 129.1 37.9
167 8 0 3 39.49 78.98 0.355 3.32 2 124.9 17.7
168 10 0 -3 39.643 79.286 0.357 3.3 2 130.1 19.1
169 6 2 3 39.67 79.339 0.357 3.3 4 52.5 6.2
170 1 5 0 39.743 79.485 0.357 3.29 4 19.2 0.8
171 8 2 -3 39.789 79.577 0.358 3.28 4 52.9 6.3
172 4 4 2 39.963 79.926 0.359 3.26 4 78.0 13.5
173 12 0 2 40.475 80.951 0.363 3.2 2 384.5 161.1
174 8 4 1 40.554 81.107 0.363 3.19 4 122.9 32.8
175 11 3 1 40.6 81.201 0.364 3.18 4 37.1 3.0
176 13 1 -2 40.619 81.239 0.364 3.18 4 117.0 29.7
177 3 5 0 40.648 81.295 0.364 3.18 4 26.2 1.5
178 3 3 3 40.69 81.38 0.364 3.17 4 141.2 43.1
179 5 3 -3 40.758 81.515 0.365 3.16 4 136.3 40.1
180 12 2 -2 40.773 81.545 0.365 3.16 4 38.3 3.2
181 6 4 -2 40.773 81.546 0.365 3.16 4 170.6 62.8
182 14 0 1 40.792 81.584 0.365 3.16 2 119.8 15.5
183 1 5 -1 41.281 82.561 0.369 3.11 4 20.4 0.9
184 9 3 2 41.419 82.839 0.37 3.09 4 124.3 32.6
185 1 5 1 41.425 82.85 0.37 3.09 4 88.6 16.6
186 2 0 -4 41.667 83.334 0.372 3.07 2 224.2 52.6
187 0 0 4 41.794 83.589 0.373 3.06 2 374.4 146.1
188 14 2 0 41.938 83.876 0.374 3.04 4 122.3 31.1
189 3 5 -1 42.035 84.07 0.374 3.04 4 177.9 65.5
190 15 1 0 42.378 84.755 0.377 3.0 4 120.6 29.8
191 10 4 0 42.42 84.84 0.377 3.0 4 28.5 1.7
192 4 0 -4 42.437 84.874 0.377 3.0 2 155.7 24.8
193 5 5 0 42.446 84.891 0.377 3.0 4 47.6 4.6
194 3 5 1 42.466 84.933 0.377 3.0 4 172.2 60.6
195 6 4 2 42.503 85.006 0.378 2.99 4 155.0 49.1
196 14 2 -1 42.529 85.058 0.378 2.99 4 89.1 16.2
197 1 1 -4 42.556 85.112 0.378 2.99 4 11.2 0.3
198 9 1 3 42.564 85.128 0.378 2.99 4 66.2 8.9
199 14 0 -2 42.57 85.139 0.378 2.99 2 149.9 22.9
200 11 1 -3 42.732 85.463 0.379 2.98 4 62.4 7.9
201 2 0 4 42.818 85.636 0.38 2.97 2 115.2 13.4
202 3 1 -4 42.877 85.753 0.38 2.96 4 2.0 0.0
203 15 1 -1 42.896 85.793 0.38 2.96 4 35.7 2.6
204 5 3 3 42.919 85.837 0.381 2.96 4 130.4 34.3
205 7 3 -3 43.019 86.038 0.381 2.95 4 135.5 37.0
206 11 3 -2 43.026 86.051 0.381 2.95 4 109.9 24.3
207 1 1 4 43.13 86.26 0.382 2.94 4 8.8 0.2
208 8 2 3 43.252 86.504 0.383 2.94 4 214.0 91.6
209 10 4 -1 43.297 86.595 0.383 2.93 4 132.1 34.9
210 10 2 -3 43.403 86.805 0.384 2.92 4 221.2 97.6
211 13 3 0 43.593 87.186 0.385 2.91 4 143.2 40.7
212 8 4 -2 43.625 87.249 0.386 2.91 4 57.5 6.6
213 5 5 -1 43.681 87.363 0.386 2.91 4 189.1 70.8
214 10 0 3 43.968 87.937 0.388 2.89 2 134.0 17.7
215 5 1 -4 44.09 88.181 0.389 2.88 4 32.9 2.1
216 6 0 -4 44.099 88.197 0.389 2.88 2 125.1 15.4
217 12 0 -3 44.152 88.305 0.389 2.87 2 135.6 18.0
218 12 2 2 44.223 88.447 0.39 2.87 4 7.4 0.1
219 13 3 -1 44.254 88.507 0.39 2.87 4 36.4 2.6
220 13 1 2 44.358 88.716 0.391 2.86 4 133.0 34.5
221 5 5 1 44.397 88.795 0.391 2.86 4 203.8 81.0
222 14 2 1 44.536 89.072 0.392 2.85 4 88.5 15.2
223 3 1 4 44.596 89.193 0.392 2.85 4 68.4 9.1
224 10 4 1 44.73 89.46 0.393 2.84 4 141.8 39.0
225 4 0 4 44.731 89.462 0.393 2.84 2 104.5 10.6
226 16 0 0 44.907 89.814 0.395 2.83 2 45.0 2.0
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 1 0 7.757 15.515 6.6267 37.1 2.1 2.1 5.6
2 4 0 0 10.165 20.331 5.06808 338.4 19.1 19.3 5.6
3 2 0 1 11.248 22.496 4.5857 32.1 1.8 1.8 5.6
4 1 1 -1 12.21 24.42 4.22921 175.0 9.9 10.0 5.6
5 1 1 1 12.552 25.104 4.11582 357.6 20.2 20.4 5.6
6 4 0 -1 13.426 26.852 3.85228 86.9 4.9 4.9 5.6
7 3 1 -1 13.912 27.824 3.72026 943.1 53.2 53.6 5.6
8 4 0 1 14.643 29.286 3.53827 130.9 7.4 7.4 5.6
9 5 1 0 14.764 29.528 3.50994 544.5 30.7 30.9 5.6
10 3 1 1 14.806 29.611 3.50025 1040.9 58.7 59.1 5.6
11 6 0 0 15.351 30.702 3.37872 421.6 23.8 23.9 5.6
12 2 2 0 15.662 31.323 3.31335 390.9 22.0 22.2 5.6
13 5 1 -1 17.1 34.199 3.04203 899.9 50.7 50.9 5.7
14 6 0 -1 17.493 34.985 2.97577 178.6 10.1 10.1 5.7
15 0 2 1 17.741 35.482 2.93542 92.2 5.2 5.2 5.7
16 4 2 0 18.073 36.145 2.88329 348.5 19.6 19.7 5.7
17 2 2 -1 18.256 36.513 2.85523 125.1 7.1 7.1 5.7
18 5 1 1 18.334 36.669 2.84352 689.5 38.9 38.9 5.7
19 2 2 1 18.732 37.465 2.7852 1773.8 100.0 100.0 5.7
20 6 0 1 18.939 37.878 2.75591 169.0 9.5 9.5 5.7
21 0 0 2 19.465 38.93 2.68421 139.3 7.9 7.8 5.7
22 7 1 0 19.522 39.043 2.67673 615.1 34.7 34.6 5.7
23 2 0 -2 19.718 39.436 2.65111 696.2 39.2 39.2 5.7
24 4 2 -1 20.18 40.359 2.59289 484.0 27.3 27.2 5.7
25 2 0 2 20.603 41.206 2.54187 122.0 6.9 6.9 5.7
26 8 0 0 20.67 41.339 2.53404 188.1 10.6 10.6 5.7
27 4 2 1 21.049 42.097 2.49043 133.7 7.5 7.5 5.7
28 7 1 -1 21.192 42.384 2.47432 132.4 7.5 7.4 5.7
29 4 0 -2 21.321 42.642 2.46008 118.0 6.7 6.6 5.7
30 6 2 0 21.571 43.143 2.43285 138.9 7.8 7.8 5.7
31 3 1 -2 21.752 43.505 2.41358 19.4 1.1 1.1 5.7
32 8 0 -1 22.167 44.334 2.37065 105.1 5.9 5.9 5.7
33 3 1 2 22.973 45.946 2.29175 68.9 3.9 3.9 5.7
34 6 2 -1 23.22 46.439 2.26872 36.5 2.1 2.0 5.7
35 8 0 1 23.761 47.522 2.21992 83.9 4.7 4.7 5.7
36 5 1 -2 23.85 47.7 2.21214 110.1 6.2 6.1 5.7
37 3 3 0 23.887 47.774 2.2089 26.1 1.5 1.5 5.7
38 6 0 -2 24.054 48.108 2.19447 270.4 15.2 15.1 5.7
39 6 2 1 24.383 48.766 2.16665 397.9 22.4 22.2 5.7
40 9 1 0 24.651 49.302 2.14455 188.1 10.6 10.5 5.7
41 1 3 -1 24.722 49.445 2.13872 111.3 6.3 6.2 5.7
42 0 2 2 24.814 49.629 2.13129 390.7 22.0 21.7 5.7
43 1 3 1 24.91 49.821 2.12361 65.8 3.7 3.7 5.7
44 2 2 -2 25.024 50.047 2.1146 312.8 17.6 17.4 5.7
45 3 3 -1 25.694 51.389 2.063 104.4 5.9 5.8 5.8
46 5 1 2 25.73 51.461 2.06031 191.2 10.8 10.6 5.8
47 2 2 2 25.763 51.525 2.05791 157.4 8.9 8.7 5.8
48 8 2 0 25.819 51.638 2.05375 31.4 1.8 1.7 5.8
49 9 1 -1 25.877 51.754 2.04945 25.3 1.4 1.4 5.8
50 5 3 0 26.214 52.428 2.02493 420.8 23.7 23.3 5.8
51 6 0 2 26.286 52.572 2.01978 179.7 10.1 10.0 5.8
52 4 2 -2 26.37 52.74 2.01378 86.2 4.9 4.8 5.8
53 7 1 -2 26.937 53.874 1.97448 171.7 9.7 9.5 5.8
54 8 2 -1 27.095 54.19 1.96383 219.2 12.4 12.1 5.8
55 10 0 -1 27.271 54.542 1.95213 59.8 3.4 3.3 5.8
56 9 1 1 27.483 54.965 1.93824 25.5 1.4 1.4 5.8
57 5 3 -1 27.739 55.477 1.92175 190.0 10.7 10.5 5.8
58 4 2 2 27.783 55.566 1.91892 18.3 1.0 1.0 5.8
59 8 2 1 28.483 56.967 1.87556 27.7 1.6 1.5 5.8
60 5 3 1 28.599 57.197 1.86863 111.5 6.3 6.1 5.8
61 10 0 1 28.993 57.985 1.84541 53.7 3.0 3.0 5.8
62 7 1 2 29.347 58.694 1.82506 112.3 6.3 6.2 5.8
63 7 3 0 29.457 58.915 1.81884 147.0 8.3 8.1 5.8
64 11 1 0 30.121 60.242 1.7824 60.2 3.4 3.3 5.8
65 0 4 0 30.681 61.361 1.75297 492.6 27.8 27.0 5.8
66 7 3 -1 30.713 61.427 1.75129 31.1 1.8 1.7 5.8
67 1 3 2 30.784 61.568 1.74768 32.5 1.8 1.8 5.8
68 9 1 -2 30.821 61.643 1.74575 82.7 4.7 4.5 5.8
69 1 1 -3 30.939 61.877 1.7398 18.0 1.0 1.0 5.8
70 1 1 3 31.423 62.847 1.71564 45.8 2.6 2.5 5.9
71 3 1 -3 31.461 62.922 1.7138 56.7 3.2 3.1 5.9
72 7 3 1 31.843 63.685 1.69538 19.3 1.1 1.1 5.9
73 10 0 -2 31.995 63.99 1.68816 174.7 9.9 9.5 5.9
74 4 4 0 32.678 65.355 1.65667 66.5 3.7 3.6 5.9
75 12 0 -1 32.778 65.557 1.65215 50.6 2.9 2.8 5.9
76 3 1 3 32.89 65.78 1.64716 146.4 8.3 8.0 5.9
77 5 1 -3 32.963 65.927 1.64391 160.3 9.0 8.7 5.9
78 6 0 -3 33.051 66.102 1.64006 21.5 1.2 1.2 5.9
79 10 2 1 33.212 66.424 1.633 521.9 29.4 28.4 5.9
80 9 3 0 33.469 66.938 1.6219 24.5 1.4 1.3 5.9
81 9 1 2 33.677 67.355 1.61304 32.1 1.8 1.7 5.9
82 4 4 -1 34.097 68.194 1.59555 18.8 1.1 1.0 5.9
83 2 2 -3 34.156 68.312 1.59312 500.6 28.2 27.1 5.9
84 5 3 2 34.367 68.735 1.58453 70.0 3.9 3.8 5.9
85 12 0 1 34.639 69.278 1.57363 32.8 1.8 1.8 5.9
86 4 4 1 34.711 69.423 1.57077 23.5 1.3 1.3 5.9
87 10 0 2 35.104 70.209 1.5554 65.7 3.7 3.5 5.9
88 5 1 3 35.276 70.552 1.5488 54.4 3.1 2.9 5.9
89 7 3 -2 35.39 70.779 1.54448 216.3 12.2 11.7 5.9
90 6 0 3 35.814 71.629 1.52857 27.3 1.5 1.5 5.9
91 8 0 -3 35.938 71.875 1.52403 26.2 1.5 1.4 5.9
92 13 1 0 35.987 71.974 1.52222 43.6 2.5 2.3 5.9
93 6 4 -1 36.314 72.627 1.51039 36.4 2.1 2.0 6.0
94 12 2 -1 36.762 73.524 1.49452 475.4 26.8 25.5 6.0
95 4 2 3 36.934 73.868 1.48855 130.4 7.4 7.0 6.0
96 6 2 -3 37.021 74.042 1.48555 69.9 3.9 3.7 6.0
97 6 4 1 37.209 74.419 1.47911 42.7 2.4 2.3 6.0
98 7 3 2 37.487 74.974 1.46974 147.3 8.3 7.9 6.0
99 0 4 2 37.548 75.096 1.46771 77.1 4.3 4.1 6.0
100 2 4 -2 37.713 75.427 1.46223 266.4 15.0 14.2 6.0
101 14 0 0 38.149 76.298 1.44802 95.3 5.4 5.1 6.0
102 2 4 2 38.303 76.607 1.44308 60.3 3.4 3.2 6.0
103 8 4 0 38.349 76.697 1.44164 91.2 5.1 4.9 6.0
104 12 2 1 38.538 77.077 1.43564 27.2 1.5 1.4 6.0
105 11 1 2 38.666 77.333 1.43163 18.5 1.0 1.0 6.0
106 14 0 -1 38.753 77.507 1.42892 20.5 1.2 1.1 6.0
107 9 3 -2 38.804 77.607 1.42736 118.4 6.7 6.3 6.0
108 1 3 -3 38.909 77.819 1.4241 19.7 1.1 1.0 6.0
109 1 3 3 39.348 78.696 1.41076 36.4 2.1 1.9 6.0
110 3 3 -3 39.382 78.764 1.40974 80.1 4.5 4.2 6.0
111 10 0 -3 39.643 79.286 1.40197 25.2 1.4 1.3 6.0
112 12 0 2 40.475 80.951 1.37795 161.1 9.1 8.5 6.1
113 8 4 1 40.554 81.107 1.37576 32.8 1.8 1.7 6.1
114 13 1 -2 40.619 81.239 1.37392 34.1 1.9 1.8 6.1
115 3 3 3 40.69 81.38 1.37194 43.1 2.4 2.3 6.1
116 6 4 -2 40.773 81.546 1.36963 121.5 6.9 6.4 6.1
117 9 3 2 41.419 82.839 1.35204 49.2 2.8 2.6 6.1
118 2 0 -4 41.667 83.334 1.34545 52.6 3.0 2.8 6.1
119 0 0 4 41.794 83.589 1.3421 146.1 8.2 7.7 6.1
120 14 2 0 41.938 83.876 1.33836 31.1 1.8 1.6 6.1
121 3 5 -1 42.035 84.07 1.33584 65.5 3.7 3.4 6.1
122 15 1 0 42.378 84.755 1.32706 29.8 1.7 1.6 6.1
123 3 5 1 42.466 84.933 1.32482 91.7 5.2 4.8 6.1
124 6 4 2 42.503 85.006 1.32389 65.3 3.7 3.4 6.1
125 14 0 -2 42.57 85.139 1.32222 31.8 1.8 1.7 6.1
126 5 3 3 42.919 85.837 1.31353 36.9 2.1 1.9 6.1
127 7 3 -3 43.019 86.038 1.31106 61.3 3.5 3.2 6.1
128 8 2 3 43.252 86.504 1.30538 91.6 5.2 4.8 6.1
129 10 4 -1 43.297 86.595 1.30428 34.9 2.0 1.8 6.1
130 10 2 -3 43.403 86.805 1.30175 97.6 5.5 5.1 6.1
131 13 3 0 43.593 87.186 1.2972 40.7 2.3 2.1 6.2
132 5 5 -1 43.681 87.363 1.29511 70.8 4.0 3.7 6.2
133 12 0 -3 44.152 88.305 1.28409 18.0 1.0 0.9 6.2
134 13 1 2 44.358 88.716 1.27937 34.5 1.9 1.8 6.2
135 5 5 1 44.397 88.795 1.27847 81.0 4.6 4.2 6.2
136 10 4 1 44.73 89.46 1.27096 49.6 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)
|