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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OXIDE_CA_FE
1
Ca(2.95)Fe(14.85)O(25)
Hexagonal P 3(-)c1 Z = 2
R =0.57 NR =790
22 .3 .1994
Ref.Str.:
Arakcheeva A.V., Karpinskii O.G. (1983)
* Dokl. Akad. Nauk SSSR, 273, 1127-1129
Reserv:
In original - ferrite.
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.986 alpha = 90.0
b = 5.986 beta = 90.0
c = 31.388 gamma = 120.0
Unit cell volume (cub. angs.) = 974.02
Molar volume ( cub.cm/mol.) = 293.34
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 0.57 Fe = 1.00
2 0.3392 0.1781 0.0785 0.7 Fe = 0.97, Ca = 0.03
3 0.3333 0.6667 0.0222 0.9 Fe = 0.88, Ca = 0.1
4 0.0 0.0 0.1748 1.16 Fe = 0.88, Ca = 0.1
5 0.6667 0.3333 0.1586 1.48 Fe = 0.85, Ca = 0.1
6 0.659 0.0 0.25 1.35 Fe = 0.87, Ca = 0.07
7 0.3333 0.6667 0.1556 0.85 Ca = 1.00
8 0.155 0.311 0.0399 0.87 O = 1.00
9 0.6667 0.3333 0.0393 1.1 O = 1.00
10 0.0 0.0 0.1118 0.4 O = 1.00
11 0.969 0.47 0.1117 0.8 O = 1.00
12 0.936 0.662 0.1874 1.7 O = 1.00
13 0.0 0.0 0.25 2.6 O = 1.00
14 0.3333 0.6666 0.2414 3.4 O = 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 0.3392 0.1781 0.0785
3 3 0.3333 0.6667 0.0222
4 4 0.0 0.0 0.1748
5 5 0.6667 0.3333 0.1586
6 6 0.659 0.0 0.25
7 7 0.3333 0.6667 0.1556
8 8 0.155 0.311 0.0399
9 9 0.6667 0.3333 0.0393
10 10 0.0 0.0 0.1118
11 11 0.969 0.47 0.1117
12 12 0.936 0.662 0.1874
13 13 0.0 0.0 0.25
14 14 0.3333 0.6666 0.2414
15 2 0.8219 0.1611 0.0785
16 2 0.8389 0.6608 0.0785
17 6 0.0 0.659 0.25
18 6 0.341 0.341 0.25
19 8 0.689 0.844 0.0399
20 8 0.156 0.845 0.0399
21 11 0.53 0.499 0.1117
22 11 0.501 0.031 0.1117
23 12 0.338 0.274 0.1874
24 12 0.726 0.064 0.1874
25 1 0.0 0.0 0.5
26 2 0.3392 0.1611 0.5785
27 3 0.3333 0.6666 0.5222
28 4 0.0 0.0 0.6748
29 5 0.6667 0.3334 0.6586
30 6 0.659 0.659 0.75
31 7 0.3333 0.6666 0.6556
32 8 0.155 0.844 0.5399
33 9 0.6667 0.3334 0.5393
34 10 0.0 0.0 0.6118
35 11 0.969 0.499 0.6117
36 12 0.936 0.274 0.6874
37 13 0.0 0.0 0.75
38 14 0.3333 0.6667 0.7414
39 2 0.8219 0.6608 0.5785
40 2 0.8389 0.1781 0.5785
41 6 0.0 0.341 0.75
42 6 0.341 0.0 0.75
43 8 0.689 0.845 0.5399
44 8 0.156 0.311 0.5399
45 11 0.53 0.031 0.6117
46 11 0.501 0.47 0.6117
47 12 0.338 0.064 0.6874
48 12 0.726 0.662 0.6874
49 2 0.6608 0.8219 0.9215
50 3 0.6667 0.3333 0.9778
51 4 0.0 0.0 0.8252
52 5 0.3333 0.6667 0.8414
53 7 0.6667 0.3333 0.8444
54 8 0.845 0.689 0.9601
55 9 0.3333 0.6667 0.9607
56 10 0.0 0.0 0.8882
57 11 0.031 0.53 0.8883
58 12 0.064 0.338 0.8126
59 14 0.6667 0.3334 0.7586
60 2 0.1781 0.8389 0.9215
61 2 0.1611 0.3392 0.9215
62 8 0.311 0.156 0.9601
63 8 0.844 0.155 0.9601
64 11 0.47 0.501 0.8883
65 11 0.499 0.969 0.8883
66 12 0.662 0.726 0.8126
67 12 0.274 0.936 0.8126
68 2 0.6608 0.8389 0.4215
69 3 0.6667 0.3334 0.4778
70 4 0.0 0.0 0.3252
71 5 0.3333 0.6666 0.3414
72 7 0.6667 0.3334 0.3444
73 8 0.845 0.156 0.4601
74 9 0.3333 0.6666 0.4607
75 10 0.0 0.0 0.3882
76 11 0.031 0.501 0.3883
77 12 0.064 0.726 0.3126
78 14 0.6667 0.3333 0.2586
79 2 0.1781 0.3392 0.4215
80 2 0.1611 0.8219 0.4215
81 8 0.311 0.155 0.4601
82 8 0.844 0.689 0.4601
83 11 0.47 0.969 0.3883
84 11 0.499 0.53 0.3883
85 12 0.662 0.936 0.3126
86 12 0.274 0.338 0.3126
X-ray density (g/cm cub.) = 4.55
MU (1/cm) = 269.207 Mass attenuation coefficient (cm**2/g) = 59.165
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.0415 8
2.0415 8
2.0416 8
2.0415 8
2.0415 8
2.0416 8
2 Fe ,Ca 2.88 6
2.0479 8
2.0974 9
2.0462 10
2.1118 8
1.9713 11
1.9111 11
3 Fe ,Ca 2.88 4
1.9258 8
1.9258 8
1.9253 8
1.9304 9
4 Fe ,Ca 2.88 5
1.9774 10
1.9031 12
2.3604 13
1.903 12
1.903 12
5 Fe ,Ca 2.88 6
2.1518 11
2.0287 12
2.1522 11
2.1519 11
2.0288 12
2.0283 12
6 Fe ,Ca 2.88 5
2.0412 13
1.9915 14
2.0037 12
1.9909 14
2.0037 12
7 Ca 2.88 7
2.3394 11
2.5664 12
2.6931 14
2.3399 11
2.3394 11
2.567 12
2.5667 12
8 O 3.264 12
2.9986 9
2.992 9
2.7735 10
2.8782 11
3.1935 8
2.7925 8
3.1935 8
2.7925 8
2.9763 11
3.0952 9
2.9788 8
2.9788 8
9 O 3.264 12
2.992 8
2.9986 8
2.7618 11
2.9925 8
2.998 8
2.9983 8
2.9923 8
2.7621 11
2.7618 11
3.0952 8
3.0952 8
3.0948 8
10 O 3.264 12
2.7735 8
2.9106 11
3.084 11
3.016 12
2.7735 8
2.7736 8
3.084 11
2.9107 11
2.9107 11
3.0839 11
3.016 12
3.0159 12
11 O 3.264 9
2.8782 8
2.7618 9
3.084 10
2.9106 10
2.6894 12
2.9763 8
2.7188 11
2.7188 11
3.1832 12
12 O 3.264 10
3.016 10
2.6894 11
2.7067 13
2.9093 14
3.1832 11
3.2242 12
3.1455 12
3.2242 12
3.1455 12
2.8797 14
13 O 3.264 6
2.7067 12
2.7067 12
2.7066 12
2.7067 12
2.7067 12
2.7066 12
14 O 3.264 6
2.9093 12
2.9091 12
2.9096 12
2.8797 12
2.8798 12
2.8795 12
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 2 3.267 6.535 0.032 612.72 2 63.8 526.6
2 0 0 4 6.545 13.09 0.064 150.96 2 2.0 0.1
3 0 0 6 9.845 19.69 0.096 65.49 2 91.1 114.6
4 1 0 0 9.936 19.871 0.096 64.26 6 65.7 175.4
5 1 0 -2 10.469 20.939 0.102 57.66 6 72.9 193.8
6 1 0 2 10.469 20.939 0.102 57.66 6 91.0 301.7
7 1 0 -4 11.935 23.869 0.116 43.89 6 1.1 0.0
8 1 0 4 11.935 23.869 0.116 43.89 6 35.9 35.8
9 0 0 8 13.178 26.356 0.127 35.63 2 58.5 25.7
10 1 0 -6 14.058 28.117 0.136 31.06 6 39.4 30.4
11 1 0 6 14.058 28.117 0.136 31.06 6 42.6 35.7
12 0 0 10 16.557 33.114 0.159 21.86 2 112.6 58.5
13 1 0 -8 16.613 33.226 0.16 21.7 6 25.6 9.0
14 1 0 8 16.613 33.226 0.16 21.7 6 167.7 385.9
15 1 1 0 17.389 34.777 0.167 19.65 6 201.6 505.0
16 1 1 1 17.47 34.94 0.168 19.45 12 146.8 530.2
17 1 1 2 17.712 35.425 0.17 18.87 12 18.4 8.1
18 1 1 3 18.11 36.219 0.174 17.98 12 104.8 249.9
19 1 1 4 18.654 37.308 0.179 16.84 12 0.7 0.0
20 1 1 5 19.334 38.669 0.185 15.56 12 87.3 150.2
21 1 0 -10 19.459 38.918 0.186 15.34 6 256.4 637.8
22 1 0 10 19.459 38.918 0.186 15.34 6 60.2 35.1
23 0 0 12 19.996 39.993 0.191 14.44 2 404.8 498.8
24 1 1 6 20.139 40.279 0.192 14.21 12 358.8 2315.0
25 2 0 0 20.187 40.374 0.193 14.14 6 69.5 43.2
26 2 0 -2 20.473 40.945 0.196 13.7 6 256.9 572.2
27 2 0 2 20.473 40.945 0.196 13.7 6 61.8 33.1
28 1 1 7 21.058 42.116 0.201 12.87 12 44.9 32.8
29 2 0 -4 21.31 42.621 0.203 12.53 6 156.9 194.9
30 2 0 4 21.31 42.621 0.203 12.53 6 111.4 98.4
31 1 1 8 22.079 44.157 0.21 11.57 12 63.4 58.8
32 1 0 -12 22.521 45.042 0.214 11.06 6 134.6 126.8
33 1 0 12 22.521 45.042 0.214 11.06 6 21.8 3.3
34 2 0 -6 22.651 45.302 0.215 10.92 6 43.3 12.9
35 2 0 6 22.651 45.302 0.215 10.92 6 108.9 81.9
36 1 1 9 23.192 46.384 0.22 10.35 12 30.9 12.5
37 0 0 14 23.513 47.026 0.223 10.04 2 152.1 48.9
38 1 1 10 24.39 48.779 0.231 9.24 12 63.1 46.5
39 2 0 -8 24.43 48.861 0.231 9.2 6 298.1 516.9
40 2 0 8 24.43 48.861 0.231 9.2 6 18.4 2.0
41 1 1 11 25.664 51.328 0.242 8.22 12 84.7 74.7
42 1 0 -14 25.764 51.528 0.243 8.15 6 7.7 0.3
43 1 0 14 25.764 51.528 0.243 8.15 6 35.1 6.4
44 2 0 -10 26.586 53.172 0.25 7.59 6 273.4 358.9
45 2 0 10 26.586 53.172 0.25 7.59 6 30.1 4.4
46 1 1 12 27.01 54.02 0.254 7.32 12 73.1 49.4
47 0 0 16 27.126 54.252 0.255 7.25 2 28.2 1.2
48 2 1 0 27.162 54.323 0.255 7.23 12 51.6 24.3
49 2 1 -1 27.219 54.438 0.256 7.19 12 26.4 6.3
50 2 1 1 27.219 54.438 0.256 7.19 12 8.4 0.6
51 2 1 -2 27.39 54.78 0.257 7.09 12 21.6 4.2
52 2 1 2 27.39 54.78 0.257 7.09 12 23.1 4.8
53 2 1 -3 27.674 55.348 0.26 6.93 12 0.7 0.0
54 2 1 3 27.674 55.348 0.26 6.93 12 29.9 7.8
55 2 1 -4 28.068 56.136 0.263 6.71 12 1.4 0.0
56 2 1 4 28.068 56.136 0.263 6.71 12 5.6 0.3
57 1 1 13 28.423 56.846 0.266 6.52 12 90.5 67.6
58 2 1 -5 28.569 57.139 0.267 6.44 12 1.4 0.0
59 2 1 5 28.569 57.139 0.267 6.44 12 17.6 2.5
60 2 0 -12 29.066 58.132 0.272 6.2 6 37.7 5.6
61 2 0 12 29.066 58.132 0.272 6.2 6 42.5 7.1
62 2 1 -6 29.175 58.349 0.272 6.15 12 6.7 0.4
63 2 1 6 29.175 58.349 0.272 6.15 12 45.6 16.1
64 1 0 -16 29.177 58.353 0.273 6.15 6 119.9 55.8
65 1 0 16 29.177 58.353 0.273 6.15 6 127.3 63.0
66 2 1 -7 29.88 59.76 0.278 5.83 12 13.1 1.3
67 2 1 7 29.88 59.76 0.278 5.83 12 25.1 4.6
68 1 1 14 29.899 59.798 0.279 5.82 12 31.1 7.1
69 2 1 -8 30.681 61.362 0.285 5.49 12 16.3 1.8
70 2 1 8 30.681 61.362 0.285 5.49 12 114.6 91.2
71 0 0 18 30.86 61.72 0.287 5.42 2 173.7 34.5
72 3 0 0 31.173 62.346 0.289 5.3 6 318.4 339.9
73 3 0 -2 31.383 62.766 0.291 5.22 6 137.7 62.7
74 3 0 2 31.383 62.766 0.291 5.22 6 140.0 64.8
75 1 1 15 31.437 62.874 0.292 5.2 12 84.2 46.6
76 2 1 -9 31.575 63.15 0.293 5.15 12 30.6 6.1
77 2 1 9 31.575 63.15 0.293 5.15 12 6.6 0.3
78 2 0 -14 31.836 63.672 0.295 5.06 6 270.9 235.0
79 2 0 14 31.836 63.672 0.295 5.06 6 12.7 0.5
80 3 0 -4 32.007 64.015 0.296 5.0 6 136.2 58.7
81 3 0 4 32.007 64.015 0.296 5.0 6 102.4 33.2
82 2 1 -10 32.558 65.115 0.301 4.82 12 207.8 263.4
83 2 1 10 32.558 65.115 0.301 4.82 12 40.4 10.0
84 1 0 -18 32.764 65.529 0.303 4.76 6 47.5 6.8
85 1 0 18 32.764 65.529 0.303 4.76 6 34.0 3.5
86 3 0 -6 33.034 66.067 0.305 4.67 6 223.7 148.0
87 3 0 6 33.034 66.067 0.305 4.67 6 164.4 79.9
88 1 1 16 33.036 66.072 0.305 4.67 12 124.7 91.9
89 2 1 -11 33.626 67.251 0.31 4.5 12 30.9 5.4
90 2 1 11 33.626 67.251 0.31 4.5 12 12.5 0.9
91 3 0 -8 34.444 68.888 0.316 4.28 6 128.8 44.9
92 3 0 8 34.444 68.888 0.316 4.28 6 106.6 30.8
93 1 1 17 34.695 69.39 0.318 4.22 12 107.0 61.1
94 0 0 20 34.746 69.492 0.319 4.21 2 73.0 4.7
95 2 1 -12 34.777 69.553 0.319 4.2 12 151.5 121.9
96 2 1 12 34.777 69.553 0.319 4.2 12 20.0 2.1
97 2 0 -16 34.877 69.754 0.32 4.17 6 91.4 22.0
98 2 0 16 34.877 69.754 0.32 4.17 6 373.1 367.4
99 2 1 -13 36.009 72.017 0.329 3.92 12 1.1 0.0
100 2 1 13 36.009 72.017 0.329 3.92 12 0.0 0.0
101 3 0 -10 36.22 72.439 0.33 3.87 6 142.0 49.4
102 3 0 10 36.22 72.439 0.33 3.87 6 109.4 29.3
103 1 1 18 36.417 72.833 0.332 3.83 12 147.7 105.8
104 1 0 -20 36.547 73.094 0.333 3.81 6 26.7 1.7
105 1 0 20 36.547 73.094 0.333 3.81 6 62.7 9.5
106 2 2 0 36.705 73.411 0.334 3.78 6 467.0 520.8
107 2 2 1 36.754 73.508 0.334 3.77 12 80.0 30.5
108 2 2 2 36.899 73.799 0.336 3.74 12 184.6 161.1
109 2 2 3 37.141 74.283 0.338 3.69 12 68.7 22.1
110 2 1 -14 37.32 74.64 0.339 3.66 12 13.4 0.8
111 2 1 14 37.32 74.64 0.339 3.66 12 0.9 0.0
112 2 2 4 37.479 74.958 0.34 3.63 12 106.7 52.3
113 2 2 5 37.912 75.824 0.343 3.56 12 55.0 13.6
114 2 0 -18 38.186 76.372 0.346 3.51 6 23.4 1.2
115 2 0 18 38.186 76.372 0.346 3.51 6 347.5 268.3
116 1 1 19 38.202 76.405 0.346 3.51 12 73.5 24.0
117 3 0 -12 38.344 76.688 0.347 3.49 6 148.7 48.8
118 3 0 12 38.344 76.688 0.347 3.49 6 177.3 69.4
119 2 2 6 38.439 76.877 0.348 3.47 12 30.7 4.2
120 3 1 0 38.47 76.94 0.348 3.47 12 42.6 8.0
121 3 1 -1 38.518 77.036 0.348 3.46 12 10.1 0.4
122 3 1 1 38.518 77.036 0.348 3.46 12 43.2 8.2
123 3 1 -2 38.661 77.322 0.349 3.44 12 56.1 13.7
124 3 1 2 38.661 77.322 0.349 3.44 12 43.3 8.2
125 2 1 -15 38.711 77.421 0.35 3.43 12 10.3 0.5
126 2 1 15 38.711 77.421 0.35 3.43 12 10.2 0.5
127 0 0 22 38.824 77.648 0.35 3.42 2 168.0 20.3
128 3 1 -3 38.899 77.799 0.351 3.4 12 37.3 6.0
129 3 1 3 38.899 77.799 0.351 3.4 12 3.5 0.1
130 2 2 7 39.058 78.116 0.352 3.38 12 45.8 9.0
131 3 1 -4 39.232 78.464 0.354 3.36 12 10.5 0.5
132 3 1 4 39.232 78.464 0.354 3.36 12 4.2 0.1
133 3 1 -5 39.659 79.318 0.357 3.3 12 5.9 0.1
134 3 1 5 39.659 79.318 0.357 3.3 12 4.2 0.1
135 2 2 8 39.77 79.539 0.358 3.28 12 105.4 46.1
136 1 1 20 40.056 80.112 0.36 3.25 12 3.9 0.1
137 3 1 -6 40.179 80.358 0.361 3.23 12 14.7 0.9
138 3 1 6 40.179 80.358 0.361 3.23 12 19.1 1.5
139 2 1 -16 40.181 80.362 0.361 3.23 12 91.6 34.3
140 2 1 16 40.181 80.362 0.361 3.23 12 119.1 58.0
141 1 0 -22 40.56 81.12 0.363 3.19 6 183.8 68.1
142 1 0 22 40.56 81.12 0.363 3.19 6 51.9 5.4
143 2 2 9 40.572 81.144 0.364 3.19 12 44.1 7.8
144 3 1 -7 40.791 81.583 0.365 3.16 12 28.5 3.3
145 3 1 7 40.791 81.583 0.365 3.16 12 21.1 1.8
146 3 0 -14 40.808 81.617 0.365 3.16 6 137.9 38.0
147 3 0 14 40.808 81.617 0.365 3.16 6 153.9 47.3
148 2 2 10 41.465 82.929 0.37 3.09 12 11.8 0.5
149 3 1 -8 41.496 82.991 0.37 3.09 12 105.3 43.3
150 3 1 8 41.496 82.991 0.37 3.09 12 19.3 1.5
151 2 1 -17 41.732 83.464 0.372 3.06 12 0.5 0.0
152 2 1 17 41.732 83.464 0.372 3.06 12 3.9 0.1
153 2 0 -20 41.78 83.559 0.372 3.06 6 91.7 16.3
154 2 0 20 41.78 83.559 0.372 3.06 6 15.1 0.4
155 1 1 21 41.983 83.965 0.374 3.04 12 35.9 5.0
156 3 1 -9 42.291 84.583 0.376 3.01 12 15.2 0.9
157 3 1 9 42.291 84.583 0.376 3.01 12 36.0 4.9
158 2 2 11 42.447 84.895 0.377 3.0 12 49.8 9.4
159 0 0 24 43.151 86.302 0.382 2.94 2 184.7 21.2
160 3 1 -10 43.178 86.356 0.383 2.94 12 30.6 3.5
161 3 1 10 43.178 86.356 0.383 2.94 12 170.2 107.8
162 2 1 -18 43.366 86.733 0.384 2.93 12 32.9 4.0
163 2 1 18 43.366 86.733 0.384 2.93 12 20.8 1.6
164 2 2 12 43.52 87.041 0.385 2.92 12 171.6 108.6
165 3 0 -16 43.614 87.229 0.386 2.91 6 42.6 3.3
166 3 0 16 43.614 87.229 0.386 2.91 6 10.5 0.2
167 4 0 0 43.643 87.287 0.386 2.91 6 50.6 4.7
168 4 0 -2 43.83 87.659 0.387 2.9 6 35.5 2.3
169 4 0 2 43.83 87.659 0.387 2.9 6 146.8 39.5
170 1 1 22 43.989 87.978 0.388 2.89 12 47.1 8.1
171 3 1 -11 44.156 88.313 0.389 2.87 12 19.9 1.4
172 3 1 11 44.156 88.313 0.389 2.87 12 34.2 4.2
173 4 0 -4 44.388 88.776 0.391 2.86 6 114.2 23.6
174 4 0 4 44.388 88.776 0.391 2.86 6 127.0 29.2
175 2 2 13 44.684 89.368 0.393 2.84 12 58.9 12.5
176 1 0 -24 44.858 89.716 0.394 2.84 6 99.7 17.8
177 1 0 24 44.858 89.716 0.394 2.84 6 51.5 4.8
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 2 3.267 6.535 15.694 526.6 22.7 23.3 5.5
2 0 0 6 9.845 19.69 5.23133 114.6 4.9 5.0 5.6
3 1 0 0 9.936 19.871 5.18403 175.4 7.6 7.7 5.6
4 1 0 2 10.469 20.939 4.92243 495.6 21.4 21.8 5.6
5 1 0 4 11.935 23.869 4.32537 35.8 1.5 1.6 5.6
6 0 0 8 13.178 26.356 3.9235 25.7 1.1 1.1 5.6
7 1 0 6 14.058 28.117 3.68227 66.1 2.9 2.9 5.6
8 0 0 10 16.557 33.114 3.1388 58.5 2.5 2.5 5.6
9 1 0 8 16.613 33.226 3.12849 394.9 17.1 17.2 5.6
10 1 1 0 17.389 34.777 2.993 505.0 21.8 21.9 5.7
11 1 1 1 17.47 34.94 2.97949 530.2 22.9 23.0 5.7
12 1 1 3 18.11 36.219 2.87757 249.9 10.8 10.8 5.7
13 1 1 5 19.334 38.669 2.70165 150.2 6.5 6.5 5.7
14 1 0 10 19.459 38.918 2.68499 672.9 29.1 29.1 5.7
15 0 0 12 19.996 39.993 2.61567 498.8 21.5 21.6 5.7
16 1 1 6 20.139 40.279 2.59787 2315.0 100.0 100.0 5.7
17 2 0 0 20.187 40.374 2.59201 43.2 1.9 1.9 5.7
18 2 0 2 20.473 40.945 2.55737 605.3 26.1 26.1 5.7
19 1 1 7 21.058 42.116 2.48939 32.8 1.4 1.4 5.7
20 2 0 4 21.31 42.621 2.46122 293.3 12.7 12.6 5.7
21 1 1 8 22.079 44.157 2.37965 58.8 2.5 2.5 5.7
22 1 0 12 22.521 45.042 2.33525 130.1 5.6 5.6 5.7
23 2 0 6 22.651 45.302 2.32255 94.8 4.1 4.1 5.7
24 0 0 14 23.513 47.026 2.242 48.9 2.1 2.1 5.7
25 1 1 10 24.39 48.779 2.16608 46.5 2.0 2.0 5.7
26 2 0 8 24.43 48.861 2.16268 518.9 22.4 22.2 5.7
27 1 1 11 25.664 51.328 2.06527 74.7 3.2 3.2 5.8
28 2 0 10 26.586 53.172 1.99863 363.2 15.7 15.5 5.8
29 1 1 12 27.01 54.02 1.96954 49.4 2.1 2.1 5.8
30 2 1 0 27.162 54.323 1.95938 24.3 1.1 1.0 5.8
31 1 1 13 28.423 56.846 1.87922 67.6 2.9 2.9 5.8
32 1 0 16 29.177 58.353 1.83477 135.0 5.8 5.7 5.8
33 2 1 8 30.681 61.362 1.75295 93.0 4.0 3.9 5.8
34 0 0 18 30.86 61.72 1.74378 34.5 1.5 1.4 5.8
35 3 0 0 31.173 62.346 1.72801 339.9 14.7 14.3 5.8
36 3 0 2 31.383 62.766 1.71763 127.5 5.5 5.4 5.9
37 1 1 15 31.437 62.874 1.71496 46.6 2.0 2.0 5.9
38 2 0 14 31.836 63.672 1.69568 235.6 10.2 9.9 5.9
39 3 0 4 32.007 64.015 1.68758 91.9 4.0 3.9 5.9
40 2 1 10 32.558 65.115 1.66211 273.3 11.8 11.4 5.9
41 3 0 6 33.034 66.067 1.64081 319.7 13.8 13.4 5.9
42 3 0 8 34.444 68.888 1.58142 75.7 3.3 3.1 5.9
43 1 1 17 34.695 69.39 1.5714 61.1 2.6 2.5 5.9
44 2 1 12 34.777 69.553 1.56818 124.1 5.4 5.2 5.9
45 2 0 16 34.877 69.754 1.56425 389.5 16.8 16.2 5.9
46 3 0 10 36.22 72.439 1.51377 78.7 3.4 3.3 5.9
47 1 1 18 36.417 72.833 1.50671 105.8 4.6 4.4 6.0
48 2 2 0 36.705 73.411 1.4965 520.8 22.5 21.5 6.0
49 2 2 1 36.754 73.508 1.4948 30.5 1.3 1.3 6.0
50 2 2 2 36.899 73.799 1.48974 161.1 7.0 6.6 6.0
51 2 2 4 37.479 74.958 1.47001 52.3 2.3 2.2 6.0
52 1 1 19 38.202 76.405 1.44631 293.6 12.7 12.0 6.0
53 3 0 12 38.344 76.688 1.44179 118.2 5.1 4.8 6.0
54 2 2 8 39.77 79.539 1.39824 46.1 2.0 1.9 6.0
55 2 1 16 40.181 80.362 1.38633 93.8 4.1 3.8 6.0
56 1 0 22 40.56 81.12 1.37558 81.3 3.5 3.3 6.1
57 3 0 14 40.808 81.617 1.36866 90.4 3.9 3.7 6.1
58 3 1 8 41.496 82.991 1.35 44.7 1.9 1.8 6.1
59 3 1 10 43.178 86.356 1.30718 132.4 5.7 5.3 6.1
60 2 2 12 43.52 87.041 1.29893 108.6 4.7 4.3 6.1
61 4 0 2 43.83 87.659 1.29161 41.8 1.8 1.7 6.2
62 4 0 4 44.388 88.776 1.27868 52.8 2.3 2.1 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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