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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POTASSIC-FLUORO-HASTINGSITE
1, f-amphiboles, sf-pargasite, s-hastingsite, DF
KCa(2)(Fe'',Fe''',Mg)(5)Si(8)O(22)F(2)
Monoclinic C 2/m Z = 2
C2/m
14 .8 .15
Ref.Str.:
Lupulescu M.V., Rakovan J., Dyar M.D., Robinson G.W., Hughes J.M. (2009)
* Canad. Mineral., 47, 909-916
L: $Al0.468 Ca1.902 F1.98 Fe2.818 K0.746 Mg2.182 O22.02 Si7.492$
R: Locality - the Greenwood mine, Orange County, New York, USA.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.948 alpha = 90.0
b = 18.1777 beta = 105.14
c = 5.3302 gamma = 90.0
Unit cell volume (cub. angs.) = 930.41
Molar volume ( cub.cm/mol.) = 280.21
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5248 0.0 0.0522 0.0 K = 0.36, K = 0.0
2 0.5 0.966 0.0 0.0 K = 0.01, K = 0.0
3 0.0 0.28 0.5 0.0 Ca = 0.94, Ca = 0.0
4 0.0 0.255 0.5 0.0 Ca = 0.01, Ca = 0.0
5 0.0 0.0912 0.5 0.0 Fe = 0.52, Mg = 0.48
6 0.5 0.322 0.0 0.0 Fe = 0.62, Mg = 0.38
7 0.0 0.0 0.0 0.0 Fe = 0.54, Mg = 0.46
8 0.2787 0.0854 0.3021 0.0 Si = 0.93, Al = 0.07
9 0.2905 0.1726 0.8109 0.0 Si = 0.94, Al = 0.05
10 0.1059 0.089 0.2165 0.0 O = 1.00
11 0.1211 0.1752 0.7306 0.0 O = 1.00
12 0.1156 0.0 0.7159 0.0 F = 0.99, O = 0.01
13 0.367 0.2491 0.7919 0.0 O = 1.00
14 0.3474 0.1373 0.1044 0.0 O = 1.00
15 0.3437 0.1195 0.6024 0.0 O = 1.00
16 0.3364 0.0 0.2937 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5248 0.0 0.0522
2 2 0.5 0.966 0.0
3 3 0.0 0.28 0.5
4 4 0.0 0.255 0.5
5 5 0.0 0.0912 0.5
6 6 0.5 0.322 0.0
7 7 0.0 0.0 0.0
8 8 0.2787 0.0854 0.3021
9 9 0.2905 0.1726 0.8109
10 10 0.1059 0.089 0.2165
11 11 0.1211 0.1752 0.7306
12 12 0.1156 0.0 0.7159
13 13 0.367 0.2491 0.7919
14 14 0.3474 0.1373 0.1044
15 15 0.3437 0.1195 0.6024
16 16 0.3364 0.0 0.2937
17 1 0.4752 0.0 0.9478
18 2 0.5 0.034 0.0
19 3 0.0 0.72 0.5
20 4 0.0 0.745 0.5
21 5 0.0 0.9088 0.5
22 6 0.5 0.678 0.0
23 8 0.7213 0.9146 0.6979
24 9 0.7095 0.8274 0.1891
25 10 0.8941 0.911 0.7835
26 11 0.8789 0.8248 0.2694
27 12 0.8844 0.0 0.2841
28 13 0.633 0.7509 0.2081
29 14 0.6526 0.8627 0.8956
30 15 0.6564 0.8805 0.3976
31 16 0.6636 0.0 0.7063
32 8 0.2787 0.9146 0.3021
33 9 0.2905 0.8274 0.8109
34 10 0.1059 0.911 0.2165
35 11 0.1211 0.8248 0.7306
36 13 0.367 0.7509 0.7919
37 14 0.3474 0.8627 0.1044
38 15 0.3437 0.8805 0.6024
39 8 0.7213 0.0854 0.6979
40 9 0.7095 0.1726 0.1891
41 10 0.8941 0.089 0.7835
42 11 0.8789 0.1752 0.2694
43 13 0.633 0.2491 0.2081
44 14 0.6526 0.1373 0.8956
45 15 0.6564 0.1195 0.3976
46 1 0.0248 0.5 0.0522
47 2 0.0 0.534 0.0
48 3 0.5 0.22 0.5
49 4 0.5 0.245 0.5
50 5 0.5 0.4088 0.5
51 6 0.0 0.178 0.0
52 7 0.5 0.5 0.0
53 8 0.7787 0.4146 0.3021
54 9 0.7905 0.3274 0.8109
55 10 0.6059 0.411 0.2165
56 11 0.6211 0.3248 0.7306
57 12 0.6156 0.5 0.7159
58 13 0.867 0.2509 0.7919
59 14 0.8474 0.3627 0.1044
60 15 0.8436 0.3805 0.6024
61 16 0.8364 0.5 0.2937
62 1 0.9752 0.5 0.9478
63 2 0.0 0.466 0.0
64 3 0.5 0.78 0.5
65 4 0.5 0.755 0.5
66 5 0.5 0.5912 0.5
67 6 0.0 0.822 0.0
68 8 0.2213 0.5854 0.6979
69 9 0.2095 0.6726 0.1891
70 10 0.3941 0.589 0.7835
71 11 0.3789 0.6752 0.2694
72 12 0.3844 0.5 0.2841
73 13 0.133 0.7491 0.2081
74 14 0.1526 0.6373 0.8956
75 15 0.1564 0.6195 0.3976
76 16 0.1636 0.5 0.7063
77 8 0.7787 0.5854 0.3021
78 9 0.7905 0.6726 0.8109
79 10 0.6059 0.589 0.2165
80 11 0.6211 0.6752 0.7306
81 13 0.867 0.7491 0.7919
82 14 0.8474 0.6373 0.1044
83 15 0.8436 0.6195 0.6024
84 8 0.2213 0.4146 0.6979
85 9 0.2095 0.3274 0.1891
86 10 0.3941 0.411 0.7835
87 11 0.3789 0.3248 0.2694
88 13 0.133 0.2509 0.2081
89 14 0.1526 0.3627 0.8956
90 15 0.1564 0.3805 0.3976
X-ray density (g/cm cub.) = 3.31
MU (1/cm) = 228.598 Mass attenuation coefficient (cm**2/g) = 68.977
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,K 3.228 8
3.1105 14
2.5357 16
3.0156 14
2.9265 15
2.576 16
3.1105 14
3.0156 14
2.9265 15
2 K ,K 3.228 6
2.61 16
2.5651 14
2.7579 15
2.61 16
2.5651 14
2.7579 15
3 Ca ,Ca 2.88 8
2.4118 11
2.4118 11
2.3503 13
2.7093 14
2.5488 15
2.3503 13
2.7093 14
2.5488 15
4 Ca ,Ca 2.88 4
2.0718 11
2.0718 11
2.2912 13
2.2912 13
5 Fe ,Mg 2.592 6
2.0556 10
2.1262 11
2.1683 12
2.1683 12
2.0556 10
2.1262 11
6 Fe ,Mg 2.592 6
1.9919 13
1.9919 13
2.1041 10
2.1022 11
2.1041 10
2.1022 11
7 Fe ,Mg 2.592 6
2.1026 10
2.1271 12
2.1026 10
2.1271 12
2.1026 10
2.1026 10
8 Si ,Al 2.316 4
1.6611 10
1.6861 14
1.6805 15
1.6599 16
9 Si ,Al 2.316 4
1.6282 11
1.601 13
1.6483 14
1.6592 15
10 O 3.264 12
3.1259 11
3.0648 11
3.0945 12
3.143 12
2.7664 14
2.7557 15
2.7479 16
2.8306 12
3.2342 10
2.6877 10
2.8223 11
2.9572 13
11 O 3.264 11
3.0648 10
3.1259 10
3.1856 12
2.7355 13
2.678 14
2.6802 15
2.8223 10
2.9581 11
2.9693 13
2.8688 13
3.1359 13
12 F ,O 3.264 9
3.143 10
3.0945 10
3.1856 11
2.8306 10
2.7968 12
3.143 10
3.0945 10
3.1856 11
2.8306 10
13 O 3.264 9
2.7355 11
2.6675 14
2.5494 15
2.9756 13
2.9693 11
2.9572 10
2.8688 11
3.1359 11
3.1207 14
14 O 3.264 8
2.7664 10
2.678 11
2.6675 13
2.684 15
2.6856 15
2.7047 16
3.0795 15
3.1207 13
15 O 3.264 7
2.7557 10
2.6802 11
2.5494 13
2.6856 14
2.684 14
2.7151 16
3.0795 14
16 O 3.264 6
2.7479 10
2.7047 14
2.7151 15
2.7479 10
2.7047 14
2.7151 15
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 2 0 5.648 11.296 0.055 203.53 2 40.4 76.6
2 1 1 0 6.047 12.094 0.059 177.25 4 89.4 654.4
3 0 0 1 10.011 20.023 0.097 63.26 2 7.8 0.9
4 1 3 0 10.052 20.105 0.098 62.73 4 0.1 0.0
5 1 1 -1 10.444 20.888 0.101 57.95 4 52.4 73.5
6 2 0 0 10.737 21.473 0.104 54.73 2 54.4 37.4
7 0 4 0 11.351 22.703 0.11 48.73 2 86.4 84.1
8 0 2 1 11.523 23.047 0.112 47.23 4 19.7 8.5
9 2 2 0 12.163 24.326 0.118 42.18 4 13.3 3.4
10 2 0 -1 12.657 25.314 0.122 38.79 2 9.4 0.8
11 1 1 1 12.892 25.783 0.125 37.32 4 39.8 27.3
12 1 3 -1 13.211 26.422 0.128 35.44 4 41.1 27.7
13 2 2 -1 13.898 27.796 0.134 31.83 4 0.3 0.0
14 0 4 1 15.225 30.45 0.147 26.2 4 36.4 16.0
15 1 3 1 15.246 30.492 0.147 26.12 4 163.1 321.1
16 1 5 0 15.253 30.505 0.147 26.09 4 14.4 2.5
17 2 4 0 15.724 31.449 0.151 24.44 4 124.3 174.5
18 3 1 0 16.483 32.967 0.159 22.07 4 191.3 373.1
19 2 0 1 16.624 33.247 0.16 21.67 2 5.5 0.1
20 3 1 -1 16.987 33.974 0.163 20.68 4 46.0 20.2
21 2 4 -1 17.13 34.259 0.165 20.3 4 14.9 2.1
22 0 6 0 17.172 34.344 0.165 20.19 2 41.7 8.1
23 1 5 -1 17.555 35.109 0.169 19.25 4 21.2 4.0
24 2 2 1 17.61 35.22 0.169 19.11 4 145.7 187.6
25 3 3 0 18.423 36.847 0.177 17.31 4 116.8 109.2
26 3 3 -1 18.881 37.763 0.181 16.4 4 151.8 174.6
27 1 5 1 19.176 38.351 0.184 15.85 4 287.2 604.1
28 1 1 -2 19.829 39.658 0.19 14.71 4 31.2 6.6
29 0 6 1 20.036 40.073 0.192 14.38 4 226.7 341.5
30 2 4 1 20.319 40.639 0.194 13.94 4 37.7 9.2
31 0 0 2 20.346 40.692 0.194 13.89 2 38.9 4.8
32 2 0 -2 20.422 40.845 0.195 13.78 2 356.8 405.2
33 2 6 0 20.432 40.865 0.195 13.76 4 18.9 2.3
34 1 7 0 20.905 41.81 0.199 13.08 4 16.8 1.7
35 0 2 2 21.183 42.366 0.202 12.7 4 15.3 1.4
36 2 2 -2 21.257 42.514 0.203 12.6 4 19.4 2.2
37 1 3 -2 21.51 43.019 0.205 12.27 4 18.7 2.0
38 2 6 -1 21.572 43.143 0.206 12.19 4 3.3 0.1
39 4 0 -1 21.574 43.149 0.206 12.19 2 6.2 0.1
40 3 1 1 21.649 43.299 0.206 12.09 4 24.6 3.4
41 3 5 0 21.858 43.717 0.208 11.83 4 86.9 41.3
42 4 0 0 21.875 43.75 0.208 11.81 2 87.4 20.8
43 3 5 -1 22.257 44.515 0.212 11.36 4 206.2 223.2
44 4 2 -1 22.374 44.748 0.213 11.23 4 120.2 75.0
45 4 2 0 22.666 45.333 0.215 10.9 4 2.9 0.0
46 1 1 2 22.698 45.396 0.216 10.87 4 43.7 9.6
47 1 7 -1 22.713 45.425 0.216 10.85 4 108.2 58.7
48 3 1 -2 22.838 45.676 0.217 10.72 4 155.7 120.1
49 0 8 0 23.182 46.364 0.22 10.36 2 25.4 1.5
50 3 3 1 23.223 46.445 0.22 10.32 4 53.9 13.8
51 0 4 2 23.549 47.098 0.223 10.0 4 19.1 1.7
52 2 4 -2 23.617 47.234 0.224 9.94 4 93.0 39.7
53 1 7 1 24.043 48.087 0.228 9.54 4 63.3 17.6
54 1 3 2 24.218 48.436 0.229 9.38 4 2.9 0.0
55 2 6 1 24.274 48.549 0.23 9.34 4 238.0 244.3
56 3 3 -2 24.351 48.702 0.23 9.27 4 92.0 36.3
57 1 5 -2 24.592 49.183 0.233 9.06 4 68.6 19.7
58 4 4 -1 24.65 49.3 0.233 9.01 4 28.0 3.3
59 4 4 0 24.922 49.843 0.236 8.79 4 4.3 0.1
60 0 8 1 25.488 50.977 0.241 8.35 4 17.5 1.2
61 2 0 2 25.8 51.6 0.243 8.13 2 257.0 124.0
62 2 8 0 25.818 51.635 0.243 8.11 4 22.5 1.9
63 4 0 -2 25.991 51.981 0.245 7.99 2 235.4 102.3
64 3 5 1 26.148 52.297 0.246 7.88 4 178.3 115.8
65 3 7 0 26.33 52.66 0.248 7.76 4 76.5 21.0
66 2 2 2 26.501 53.003 0.249 7.64 4 19.3 1.3
67 3 7 -1 26.678 53.355 0.251 7.53 4 42.9 6.4
68 4 2 -2 26.688 53.377 0.251 7.52 4 21.0 1.5
69 4 0 1 26.771 53.541 0.252 7.47 2 20.1 0.7
70 2 8 -1 26.777 53.555 0.252 7.47 4 17.2 1.0
71 1 9 0 26.907 53.815 0.253 7.38 4 75.7 19.6
72 1 5 2 27.064 54.128 0.254 7.29 4 11.1 0.4
73 5 1 -1 27.081 54.163 0.254 7.28 4 34.8 4.1
74 0 6 2 27.138 54.275 0.255 7.24 4 24.4 2.0
75 3 5 -2 27.187 54.374 0.255 7.21 4 67.5 15.2
76 2 6 -2 27.199 54.398 0.256 7.21 4 14.6 0.7
77 4 2 1 27.454 54.909 0.258 7.05 4 48.3 7.6
78 5 1 0 27.926 55.851 0.262 6.79 4 82.5 21.3
79 4 6 -1 28.136 56.272 0.264 6.67 4 119.3 43.9
80 4 6 0 28.384 56.768 0.266 6.54 4 2.0 0.0
81 1 9 -1 28.424 56.847 0.266 6.52 4 91.5 25.2
82 5 3 -1 28.428 56.856 0.266 6.52 4 41.7 5.2
83 2 4 2 28.533 57.066 0.267 6.46 4 70.5 14.8
84 4 4 -2 28.711 57.422 0.269 6.37 4 77.2 17.6
85 1 7 -2 28.746 57.492 0.269 6.36 4 76.2 17.1
86 2 8 1 29.119 58.238 0.272 6.17 4 3.5 0.0
87 5 3 0 29.247 58.493 0.273 6.11 4 54.7 8.4
88 4 4 1 29.442 58.884 0.275 6.02 4 37.0 3.8
89 0 10 0 29.476 58.953 0.275 6.01 2 160.4 35.7
90 1 9 1 29.567 59.133 0.276 5.96 4 64.2 11.4
91 3 1 2 30.142 60.284 0.281 5.71 4 10.1 0.3
92 3 7 1 30.154 60.307 0.281 5.71 4 11.5 0.3
93 5 1 -2 30.371 60.742 0.283 5.62 4 109.8 31.3
94 2 0 -3 30.392 60.784 0.283 5.61 2 0.7 0.0
95 1 1 -3 30.508 61.016 0.284 5.56 4 29.1 2.2
96 1 7 2 30.991 61.982 0.288 5.37 4 33.7 2.8
97 5 5 -1 31.007 62.014 0.288 5.36 4 78.6 15.3
98 2 2 -3 31.024 62.048 0.288 5.36 4 3.1 0.0
99 3 7 -2 31.104 62.208 0.289 5.33 4 30.7 2.3
100 3 3 2 31.404 62.808 0.291 5.22 4 23.4 1.3
101 0 0 3 31.435 62.87 0.292 5.2 2 19.6 0.5
102 0 10 1 31.458 62.916 0.292 5.2 4 61.6 9.1
103 3 9 0 31.577 63.155 0.293 5.15 4 40.1 3.8
104 5 3 -2 31.628 63.256 0.293 5.14 4 7.1 0.1
105 0 8 2 31.683 63.365 0.294 5.12 4 31.3 2.3
106 3 1 -3 31.716 63.433 0.294 5.1 4 36.1 3.1
107 2 6 2 31.73 63.46 0.294 5.1 4 19.6 0.9
108 2 8 -2 31.738 63.477 0.294 5.1 4 108.0 27.5
109 2 10 0 31.746 63.491 0.294 5.09 4 84.0 16.6
110 1 3 -3 31.762 63.524 0.294 5.09 4 123.7 36.0
111 5 5 0 31.784 63.569 0.294 5.08 4 29.3 2.0
112 3 9 -1 31.888 63.776 0.295 5.04 4 88.9 18.4
113 4 6 -2 31.897 63.795 0.295 5.04 4 24.6 1.4
114 0 2 3 32.055 64.11 0.297 4.99 4 117.8 32.0
115 4 6 1 32.585 65.171 0.301 4.81 4 273.8 166.8
116 2 10 -1 32.591 65.183 0.301 4.81 4 15.6 0.5
117 4 8 -1 32.593 65.187 0.301 4.81 4 10.3 0.2
118 6 0 -1 32.697 65.395 0.302 4.78 2 6.7 0.0
119 5 1 1 32.699 65.398 0.302 4.78 4 10.6 0.2
120 4 8 0 32.821 65.642 0.303 4.74 4 126.5 35.0
121 2 4 -3 32.878 65.756 0.303 4.72 4 41.0 3.7
122 3 3 -3 32.944 65.889 0.304 4.7 4 5.0 0.1
123 6 2 -1 33.305 66.61 0.307 4.59 4 21.7 1.0
124 1 11 0 33.314 66.628 0.307 4.59 4 201.7 86.3
125 1 1 3 33.738 67.476 0.31 4.47 4 24.3 1.2
126 1 9 -2 33.757 67.514 0.311 4.47 4 3.7 0.0
127 4 0 -3 33.791 67.581 0.311 4.46 2 6.8 0.0
128 3 5 2 33.849 67.698 0.311 4.44 4 13.5 0.4
129 0 4 3 33.879 67.757 0.312 4.43 4 22.6 1.0
130 5 3 1 33.908 67.817 0.312 4.42 4 22.4 1.0
131 6 0 0 33.978 67.957 0.312 4.4 2 193.1 37.9
132 5 5 -2 34.064 68.129 0.313 4.38 4 25.8 1.4
133 1 5 -3 34.193 68.386 0.314 4.35 4 266.4 142.5
134 4 2 -3 34.388 68.777 0.316 4.3 4 7.7 0.1
135 6 2 0 34.575 69.149 0.317 4.25 4 39.9 3.1
136 1 11 -1 34.659 69.319 0.318 4.23 4 15.1 0.4
137 5 7 -1 34.663 69.326 0.318 4.23 4 50.0 4.9
138 2 10 1 34.693 69.387 0.318 4.22 4 58.5 6.7
139 4 0 2 34.902 69.803 0.32 4.17 2 225.1 48.8
140 1 3 3 34.93 69.86 0.32 4.16 4 22.9 1.0
141 3 9 1 35.05 70.1 0.321 4.13 4 10.7 0.2
142 6 4 -1 35.096 70.191 0.321 4.12 4 25.5 1.2
143 6 0 -2 35.167 70.334 0.322 4.11 2 292.3 81.0
144 3 5 -3 35.334 70.669 0.323 4.07 4 77.2 11.2
145 5 7 0 35.399 70.798 0.324 4.05 4 38.6 2.8
146 4 2 2 35.491 70.981 0.325 4.03 4 42.7 3.4
147 1 11 1 35.689 71.377 0.326 3.99 4 16.5 0.5
148 6 2 -2 35.754 71.508 0.327 3.97 4 0.2 0.0
149 1 9 2 35.826 71.652 0.327 3.96 4 109.8 22.1
150 2 6 -3 35.857 71.713 0.327 3.95 4 296.0 159.9
151 3 9 -2 35.931 71.862 0.328 3.93 4 51.2 4.8
152 2 8 2 35.933 71.867 0.328 3.93 4 11.2 0.2
153 4 8 -2 36.091 72.182 0.329 3.9 4 95.3 16.4
154 4 4 -3 36.154 72.309 0.33 3.89 4 24.6 1.1
155 0 12 0 36.191 72.382 0.33 3.88 2 270.9 65.8
156 5 5 1 36.268 72.537 0.331 3.86 4 151.8 41.1
157 6 4 0 36.336 72.673 0.331 3.85 4 17.1 0.5
158 2 0 3 36.718 73.435 0.334 3.77 2 21.7 0.4
159 4 8 1 36.741 73.482 0.334 3.77 4 32.2 1.8
160 0 6 3 36.82 73.64 0.335 3.75 4 93.8 15.3
161 0 10 2 37.05 74.099 0.337 3.71 4 44.5 3.4
162 2 10 -2 37.102 74.203 0.337 3.7 4 139.9 33.5
163 5 1 -3 37.135 74.27 0.337 3.69 4 29.7 1.5
164 4 4 2 37.234 74.468 0.338 3.68 4 101.1 17.4
165 1 5 3 37.262 74.524 0.338 3.67 4 87.6 13.0
166 2 2 3 37.295 74.59 0.339 3.67 4 78.4 10.4
167 3 7 2 37.368 74.736 0.339 3.65 4 54.1 4.9
168 6 4 -2 37.493 74.986 0.34 3.63 4 98.2 16.2
169 3 11 0 37.528 75.056 0.341 3.62 4 138.3 32.0
170 5 7 -2 37.575 75.15 0.341 3.62 4 18.8 0.6
171 1 7 -3 37.698 75.397 0.342 3.59 4 88.7 13.1
172 3 11 -1 37.815 75.63 0.343 3.57 4 60.1 6.0
173 4 10 -1 37.899 75.799 0.343 3.56 4 52.8 4.6
174 0 12 1 37.991 75.982 0.344 3.55 4 66.1 7.2
175 6 6 -1 37.997 75.993 0.344 3.54 4 345.6 195.7
176 4 10 0 38.113 76.225 0.345 3.53 4 108.5 19.2
177 2 12 0 38.255 76.511 0.346 3.5 4 8.9 0.1
178 5 3 -3 38.282 76.564 0.346 3.5 4 94.7 14.5
179 3 7 -3 38.798 77.596 0.35 3.42 4 32.1 1.6
180 6 0 1 38.84 77.681 0.351 3.41 2 12.2 0.1
181 2 4 3 39.009 78.017 0.352 3.39 4 19.5 0.6
182 4 6 -3 39.026 78.051 0.352 3.39 4 78.0 9.5
183 2 12 -1 39.037 78.074 0.352 3.38 4 54.1 4.6
184 7 1 -1 39.148 78.296 0.353 3.37 4 12.0 0.2
185 6 6 0 39.203 78.406 0.353 3.36 4 59.7 5.5
186 5 9 -1 39.288 78.575 0.354 3.35 4 31.9 1.6
187 6 2 1 39.407 78.814 0.355 3.33 4 50.6 3.9
188 1 11 -2 39.56 79.12 0.356 3.31 4 27.9 1.2
189 5 7 1 39.702 79.405 0.357 3.29 4 39.4 2.4
190 2 8 -3 39.868 79.736 0.358 3.27 4 29.3 1.3
191 5 9 0 39.992 79.983 0.359 3.26 4 10.8 0.2
192 4 6 2 40.079 80.159 0.36 3.24 4 37.1 2.1
193 1 13 0 40.273 80.546 0.361 3.22 4 2.7 0.0
194 7 3 -1 40.277 80.554 0.361 3.22 4 42.7 2.7
195 6 6 -2 40.333 80.665 0.362 3.21 4 8.2 0.1
196 5 5 -3 40.545 81.09 0.363 3.19 4 154.7 35.3
197 1 7 3 40.669 81.337 0.364 3.17 4 20.6 0.6
198 5 1 2 40.675 81.35 0.364 3.17 4 227.8 76.1
199 3 11 1 40.783 81.565 0.365 3.16 4 8.4 0.1
200 0 8 3 40.8 81.6 0.365 3.16 4 7.7 0.1
201 7 1 0 40.835 81.67 0.366 3.16 4 112.8 18.6
202 3 1 3 40.897 81.794 0.366 3.15 4 3.1 0.0
203 7 1 -2 40.978 81.955 0.367 3.14 4 13.1 0.2
204 2 12 1 41.005 82.011 0.367 3.14 4 49.8 3.6
205 2 10 2 41.066 82.132 0.367 3.13 4 83.7 10.1
206 6 4 1 41.095 82.19 0.367 3.13 4 13.3 0.3
207 6 0 -3 41.097 82.194 0.367 3.13 2 7.1 0.0
208 4 10 -2 41.217 82.434 0.368 3.12 4 78.7 8.9
209 1 11 2 41.522 83.045 0.371 3.08 4 199.0 56.4
210 1 13 -1 41.533 83.066 0.371 3.08 4 55.3 4.4
211 3 11 -2 41.623 83.246 0.371 3.07 4 161.0 36.8
212 6 2 -3 41.656 83.313 0.372 3.07 4 47.5 3.2
213 5 3 2 41.795 83.589 0.373 3.06 4 112.6 17.9
214 2 6 3 41.82 83.641 0.373 3.06 4 174.2 42.8
215 4 10 1 41.843 83.685 0.373 3.05 4 34.9 1.7
216 3 9 2 41.891 83.782 0.373 3.05 4 7.7 0.1
217 6 8 -1 41.945 83.89 0.374 3.04 4 55.1 4.3
218 7 3 0 41.954 83.907 0.374 3.04 4 57.8 4.7
219 3 3 3 42.015 84.03 0.374 3.04 4 1.2 0.0
220 5 9 -2 42.092 84.184 0.375 3.03 4 85.3 10.2
221 7 3 -2 42.096 84.191 0.375 3.03 4 30.2 1.3
222 2 0 -4 42.164 84.328 0.375 3.02 2 9.2 0.1
223 1 9 -3 42.212 84.424 0.376 3.02 4 88.0 10.8
224 1 13 1 42.507 85.015 0.378 2.99 4 75.4 7.9
225 7 5 -1 42.515 85.03 0.378 2.99 4 216.5 64.8
226 2 2 -4 42.721 85.442 0.379 2.98 4 15.8 0.3
227 1 1 -4 42.752 85.505 0.379 2.97 4 179.6 44.3
228 3 1 -4 42.852 85.705 0.38 2.97 4 59.6 4.9
229 4 8 -3 42.951 85.903 0.381 2.96 4 1.2 0.0
230 6 8 0 43.126 86.251 0.382 2.94 4 61.6 5.2
231 0 12 2 43.254 86.509 0.383 2.93 4 108.8 16.1
232 3 9 -3 43.285 86.569 0.383 2.93 4 52.4 3.7
233 2 12 -2 43.304 86.609 0.383 2.93 4 257.5 89.8
234 6 4 -3 43.328 86.655 0.384 2.93 4 23.4 0.7
235 0 14 0 43.542 87.085 0.385 2.91 2 25.9 0.5
236 1 3 -4 43.864 87.728 0.387 2.89 4 107.0 15.3
237 6 6 1 43.882 87.763 0.387 2.89 4 61.6 5.1
238 5 7 -3 43.892 87.784 0.388 2.89 4 26.6 0.9
239 3 3 -4 43.964 87.928 0.388 2.89 4 65.6 5.7
240 4 8 2 43.988 87.976 0.388 2.89 4 34.9 1.6
241 5 5 2 44.021 88.041 0.388 2.88 4 55.3 4.1
242 0 0 4 44.057 88.114 0.389 2.88 2 190.0 24.0
243 4 12 -1 44.076 88.152 0.389 2.88 4 49.3 3.2
244 5 9 1 44.172 88.343 0.39 2.87 4 10.9 0.2
245 7 5 0 44.179 88.358 0.39 2.87 4 0.9 0.0
246 6 8 -2 44.237 88.475 0.39 2.87 4 61.6 5.0
247 3 5 3 44.24 88.48 0.39 2.87 4 62.5 5.2
248 4 0 -4 44.257 88.514 0.39 2.87 2 241.7 38.7
249 3 13 0 44.271 88.542 0.39 2.87 4 6.2 0.1
250 4 12 0 44.283 88.566 0.39 2.87 4 84.0 9.4
251 7 5 -2 44.32 88.641 0.391 2.87 4 50.5 3.4
252 2 4 -4 44.388 88.777 0.391 2.86 4 22.3 0.7
253 3 13 -1 44.549 89.098 0.392 2.85 4 17.6 0.4
254 0 2 4 44.612 89.224 0.393 2.85 4 14.7 0.3
255 4 2 -4 44.812 89.624 0.394 2.84 4 16.2 0.3
256 5 11 -1 44.875 89.749 0.394 2.83 4 9.3 0.1
257 2 10 -3 44.89 89.78 0.395 2.83 4 1.3 0.0
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 0 2 0 5.648 11.296 9.08885 76.6 11.7 11.7 5.6
2 1 1 0 6.047 12.094 8.49077 654.4 100.0 100.0 5.6
3 1 1 -1 10.444 20.888 4.93426 73.5 11.2 11.2 5.6
4 2 0 0 10.737 21.473 4.80136 37.4 5.7 5.7 5.6
5 0 4 0 11.351 22.703 4.54443 84.1 12.8 12.8 5.6
6 0 2 1 11.523 23.047 4.47752 8.5 1.3 1.3 5.6
7 1 1 1 12.892 25.783 4.00907 27.3 4.2 4.1 5.6
8 1 3 -1 13.211 26.422 3.91379 27.7 4.2 4.2 5.6
9 1 3 1 15.246 30.492 3.40151 339.6 51.9 51.2 5.6
10 2 4 0 15.724 31.449 3.30049 174.5 26.7 26.3 5.6
11 3 1 0 16.483 32.967 3.1524 373.1 57.0 56.2 5.6
12 3 1 -1 16.987 33.974 3.0616 20.2 3.1 3.0 5.7
13 0 6 0 17.172 34.344 3.02962 8.1 1.2 1.2 5.7
14 2 2 1 17.61 35.22 2.95653 187.6 28.7 28.2 5.7
15 3 3 0 18.423 36.847 2.83026 109.2 16.7 16.4 5.7
16 3 3 -1 18.881 37.763 2.764 174.6 26.7 26.2 5.7
17 1 5 1 19.176 38.351 2.72316 604.1 92.3 90.5 5.7
18 1 1 -2 19.829 39.658 2.63685 6.6 1.0 1.0 5.7
19 0 6 1 20.036 40.073 2.61066 341.5 52.2 51.1 5.7
20 2 4 1 20.319 40.639 2.57582 14.0 2.1 2.1 5.7
21 2 0 -2 20.422 40.845 2.56338 407.5 62.3 60.9 5.7
22 3 5 0 21.858 43.717 2.40243 62.1 9.5 9.3 5.7
23 3 5 -1 22.257 44.515 2.3615 223.2 34.1 33.2 5.7
24 4 2 -1 22.374 44.748 2.34983 75.0 11.5 11.2 5.7
25 1 7 -1 22.713 45.425 2.31659 68.3 10.4 10.2 5.7
26 3 1 -2 22.838 45.676 2.30455 120.1 18.4 17.9 5.7
27 3 3 1 23.223 46.445 2.26846 13.8 2.1 2.1 5.7
28 2 4 -2 23.617 47.234 2.23268 39.7 6.1 5.9 5.7
29 1 7 1 24.043 48.087 2.19537 17.6 2.7 2.6 5.7
30 2 6 1 24.274 48.549 2.17573 244.3 37.3 36.2 5.7
31 3 3 -2 24.351 48.702 2.1693 36.3 5.5 5.4 5.7
32 1 5 -2 24.592 49.183 2.14939 19.7 3.0 2.9 5.7
33 2 0 2 25.8 51.6 2.05514 125.9 19.2 18.6 5.8
34 4 0 -2 25.991 51.981 2.04111 102.3 15.6 15.1 5.8
35 3 5 1 26.148 52.297 2.02964 115.8 17.7 17.1 5.8
36 3 7 0 26.33 52.66 2.01663 21.0 3.2 3.1 5.8
37 3 7 -1 26.678 53.355 1.99224 7.9 1.2 1.2 5.8
38 1 9 0 26.907 53.815 1.9765 19.6 3.0 2.9 5.8
39 3 5 -2 27.187 54.374 1.95769 15.9 2.4 2.3 5.8
40 4 2 1 27.454 54.909 1.94008 7.6 1.2 1.1 5.8
41 5 1 0 27.926 55.851 1.90991 21.3 3.3 3.1 5.8
42 4 6 -1 28.136 56.272 1.89679 43.9 6.7 6.4 5.8
43 1 9 -1 28.424 56.847 1.87917 30.5 4.7 4.5 5.8
44 2 4 2 28.533 57.066 1.87256 14.8 2.3 2.2 5.8
45 4 4 -2 28.711 57.422 1.86192 17.6 2.7 2.6 5.8
46 1 7 -2 28.746 57.492 1.85988 17.1 2.6 2.5 5.8
47 5 3 0 29.247 58.493 1.83078 8.4 1.3 1.2 5.8
48 0 10 0 29.476 58.953 1.81777 35.7 5.5 5.2 5.8
49 1 9 1 29.567 59.133 1.81271 11.4 1.7 1.7 5.8
50 5 1 -2 30.371 60.742 1.76911 31.3 4.8 4.6 5.8
51 5 5 -1 31.007 62.014 1.73635 18.1 2.8 2.6 5.8
52 0 10 1 31.458 62.916 1.71395 9.1 1.4 1.3 5.9
53 2 10 0 31.746 63.491 1.70001 86.1 13.2 12.5 5.9
54 3 9 -1 31.888 63.776 1.69323 19.8 3.0 2.9 5.9
55 0 2 3 32.055 64.11 1.68532 32.0 4.9 4.6 5.9
56 4 6 1 32.585 65.171 1.66085 167.6 25.6 24.3 5.9
57 4 8 0 32.821 65.642 1.65024 35.0 5.4 5.1 5.9
58 1 11 0 33.314 66.628 1.62858 86.3 13.2 12.5 5.9
59 6 0 0 33.978 67.957 1.60045 37.9 5.8 5.5 5.9
60 1 5 -3 34.193 68.386 1.59161 142.5 21.8 20.5 5.9
61 2 10 1 34.693 69.387 1.57148 6.7 1.0 1.0 5.9
62 4 0 2 34.902 69.803 1.56328 49.8 7.6 7.2 5.9
63 6 0 -2 35.167 70.334 1.55299 81.0 12.4 11.6 5.9
64 3 5 -3 35.334 70.669 1.54658 11.2 1.7 1.6 5.9
65 1 9 2 35.826 71.652 1.52815 22.1 3.4 3.2 5.9
66 2 6 -3 35.857 71.713 1.52701 159.9 24.4 22.9 5.9
67 4 8 -2 36.091 72.182 1.51843 16.4 2.5 2.3 5.9
68 0 12 0 36.191 72.382 1.51481 65.8 10.0 9.4 5.9
69 5 5 1 36.268 72.537 1.51201 41.1 6.3 5.9 5.9
70 0 6 3 36.82 73.64 1.49251 15.3 2.3 2.2 6.0
71 2 10 -2 37.102 74.203 1.48279 33.5 5.1 4.8 6.0
72 4 4 2 37.234 74.468 1.47826 30.4 4.6 4.3 6.0
73 2 2 3 37.295 74.59 1.47621 10.4 1.6 1.5 6.0
74 6 4 -2 37.493 74.986 1.46955 16.2 2.5 2.3 6.0
75 3 11 0 37.528 75.056 1.46838 32.0 4.9 4.6 6.0
76 1 7 -3 37.698 75.397 1.46272 13.1 2.0 1.9 6.0
77 6 6 -1 37.997 75.993 1.45295 202.8 31.0 28.8 6.0
78 4 10 0 38.113 76.225 1.4492 19.2 2.9 2.7 6.0
79 5 3 -3 38.282 76.564 1.44377 14.5 2.2 2.1 6.0
80 4 6 -3 39.026 78.051 1.42053 14.1 2.2 2.0 6.0
81 5 5 -3 40.545 81.09 1.376 35.3 5.4 4.9 6.1
82 5 1 2 40.675 81.35 1.37236 76.1 11.6 10.7 6.1
83 7 1 0 40.835 81.67 1.36793 18.6 2.8 2.6 6.1
84 2 10 2 41.066 82.132 1.36158 10.4 1.6 1.5 6.1
85 4 10 -2 41.217 82.434 1.35748 8.9 1.4 1.2 6.1
86 1 11 2 41.522 83.045 1.34929 60.8 9.3 8.5 6.1
87 3 11 -2 41.623 83.246 1.34662 36.8 5.6 5.1 6.1
88 2 6 3 41.82 83.641 1.34143 62.5 9.5 8.7 6.1
89 7 3 0 41.954 83.907 1.33795 9.0 1.4 1.2 6.1
90 5 9 -2 42.092 84.184 1.33437 11.5 1.8 1.6 6.1
91 1 9 -3 42.212 84.424 1.33128 10.8 1.7 1.5 6.1
92 7 5 -1 42.515 85.03 1.32359 72.7 11.1 10.1 6.1
93 1 1 -4 42.752 85.505 1.31765 44.3 6.8 6.2 6.1
94 0 12 2 43.254 86.509 1.30533 19.8 3.0 2.7 6.1
95 2 12 -2 43.304 86.609 1.30412 90.6 13.8 12.5 6.1
96 1 3 -4 43.864 87.728 1.2908 21.3 3.3 2.9 6.2
97 3 3 -4 43.964 87.928 1.28846 7.4 1.1 1.0 6.2
98 0 0 4 44.057 88.114 1.2863 27.3 4.2 3.8 6.2
99 4 0 -4 44.257 88.514 1.28169 58.3 8.9 8.0 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)
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