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 ***
***********************
ZOISITE
2, t-zoisite, at 15 K, f-epidote
Ca(2)Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
R =0.034 NR =1385
14 .1 .1994
Ref.Str.:
Smith J.V., Pluth J.J., Richrdson J.W. (1987)
* Z. Kristallogr., 179.305-321
Reserv:
Neutron diffraction. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.218 alpha = 90.0
b = 5.5406 beta = 90.0
c = 10.033 gamma = 90.0
Unit cell volume (cub. angs.) = 901.54
Molar volume ( cub.cm/mol.) = 135.76
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3659 0.25 0.4367 0.0 Ca = 1.00
2 0.4521 0.25 0.1144 0.0 Ca = 1.00
3 0.0813 0.25 0.1066 0.0 Si = 1.00
4 0.4107 0.75 0.2817 0.0 Si = 1.00
5 0.1604 0.25 0.4356 0.0 Si = 1.00
6 0.2495 0.9968 0.1895 0.0 Al = 1.00
7 0.1064 0.75 0.2998 0.0 Al = 1.00
8 0.13 0.9974 0.1473 0.0 O = 1.00
9 0.1014 0.0123 0.4305 0.0 O = 1.00
10 0.359 0.9914 0.243 0.0 O = 1.00
11 0.2192 0.75 0.3012 0.0 O = 1.00
12 0.2278 0.25 0.3117 0.0 O = 1.00
13 0.2712 0.75 0.0595 0.0 O = 1.00
14 0.9909 0.25 0.1632 0.0 O = 1.00
15 0.9965 0.75 0.2949 0.0 O = 1.00
16 0.4192 0.75 0.4435 0.0 O = 1.00
17 0.2662 0.25 0.0735 0.0 O = 1.00
18 0.269 0.25 0.9753 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3659 0.25 0.4367
2 2 0.4521 0.25 0.1144
3 3 0.0813 0.25 0.1066
4 4 0.4107 0.75 0.2817
5 5 0.1604 0.25 0.4356
6 6 0.2495 0.9968 0.1895
7 7 0.1064 0.75 0.2998
8 8 0.13 0.9974 0.1473
9 9 0.1014 0.0123 0.4305
10 10 0.359 0.9914 0.243
11 11 0.2192 0.75 0.3012
12 12 0.2278 0.25 0.3117
13 13 0.2712 0.75 0.0595
14 14 0.9909 0.25 0.1632
15 15 0.9965 0.75 0.2949
16 16 0.4192 0.75 0.4435
17 17 0.2662 0.25 0.0735
18 18 0.269 0.25 0.9753
19 1 0.1341 0.75 0.9367
20 2 0.0479 0.75 0.6144
21 3 0.4187 0.75 0.6066
22 4 0.0893 0.25 0.7817
23 5 0.3396 0.75 0.9356
24 6 0.2505 0.0032 0.6895
25 7 0.3936 0.25 0.7998
26 8 0.37 0.0026 0.6473
27 9 0.3986 0.9877 0.9305
28 10 0.141 0.0086 0.743
29 11 0.2808 0.25 0.8012
30 12 0.2722 0.75 0.8117
31 13 0.2288 0.25 0.5595
32 14 0.5091 0.75 0.6632
33 15 0.5035 0.25 0.7949
34 16 0.0808 0.25 0.9435
35 17 0.2338 0.75 0.5735
36 18 0.231 0.75 0.4753
37 6 0.2505 0.4968 0.6895
38 8 0.37 0.4974 0.6473
39 9 0.3986 0.5123 0.9305
40 10 0.141 0.4914 0.743
41 6 0.2495 0.5032 0.1895
42 8 0.13 0.5026 0.1473
43 9 0.1014 0.4877 0.4305
44 10 0.359 0.5086 0.243
45 1 0.8659 0.25 0.0633
46 2 0.9521 0.25 0.3856
47 3 0.5813 0.25 0.3934
48 4 0.9107 0.75 0.2183
49 5 0.6604 0.25 0.0644
50 6 0.7495 0.9968 0.3105
51 7 0.6064 0.75 0.2002
52 8 0.63 0.9974 0.3527
53 9 0.6014 0.0123 0.0695
54 10 0.859 0.9914 0.257
55 11 0.7192 0.75 0.1988
56 12 0.7278 0.25 0.1883
57 13 0.7712 0.75 0.4405
58 14 0.4909 0.25 0.3368
59 15 0.4965 0.75 0.2051
60 16 0.9192 0.75 0.0565
61 17 0.7662 0.25 0.4265
62 18 0.769 0.25 0.5247
63 1 0.6341 0.75 0.5633
64 2 0.5479 0.75 0.8856
65 3 0.9187 0.75 0.8934
66 4 0.5893 0.25 0.7183
67 5 0.8396 0.75 0.5644
68 6 0.7505 0.0032 0.8105
69 7 0.8936 0.25 0.7002
70 8 0.87 0.0026 0.8527
71 9 0.8986 0.9877 0.5695
72 10 0.641 0.0086 0.757
73 11 0.7808 0.25 0.6988
74 12 0.7722 0.75 0.6883
75 13 0.7288 0.25 0.9405
76 14 0.0091 0.75 0.8368
77 15 0.0035 0.25 0.7051
78 16 0.5808 0.25 0.5565
79 17 0.7338 0.75 0.9265
80 18 0.731 0.75 0.0247
81 6 0.7505 0.4968 0.8105
82 8 0.87 0.4974 0.8527
83 9 0.8986 0.5123 0.5695
84 10 0.641 0.4914 0.757
85 6 0.7495 0.5032 0.3105
86 8 0.63 0.5026 0.3527
87 9 0.6014 0.4877 0.0695
88 10 0.859 0.5086 0.257
X-ray density (g/cm cub.) = 3.35
MU (1/cm) = 179.843 Mass attenuation coefficient (cm**2/g) = 53.742
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.4171 10
2.5669 12
2.5195 8
2.542 13
2.5195 8
2.4171 10
2.2615 14
2 Ca 2.88 7
2.449 10
2.5038 9
2.5038 9
2.449 10
2.7929 9
2.3184 14
2.7929 9
3 Si 2.1 4
1.6581 8
1.5722 14
1.6364 16
1.6581 8
4 Si 2.1 4
1.6256 10
1.6292 16
1.6256 10
1.5896 15
5 Si 2.1 4
1.6287 9
1.6553 12
1.6661 13
1.6287 9
6 Al 2.316 6
1.9838 8
1.8555 10
1.835 11
1.8961 12
1.9222 13
1.8428 17
7 Al 2.316 6
2.0896 8
1.9591 9
1.8294 11
1.783 15
2.0896 8
1.9591 9
8 O 3.264 10
2.8801 9
2.5211 11
2.6824 12
2.8105 13
2.6596 14
2.9597 15
2.7178 17
2.6031 16
2.7991 8
2.7415 8
9 O 3.264 9
2.8801 8
2.7285 11
2.7125 12
2.6186 15
3.2005 10
2.771 13
2.9633 17
2.634 9
2.9066 9
10 O 3.264 10
2.6964 11
2.6562 12
2.6844 13
2.6055 16
2.6852 17
3.2005 9
2.8656 10
2.675 10
2.7413 14
2.628 15
11 O 3.264 10
2.5211 8
2.7285 9
2.6964 10
2.7758 12
2.7758 12
2.5674 13
2.7422 17
2.5211 8
2.7285 9
2.6964 10
12 O 3.264 10
2.6824 8
2.7125 9
2.6562 10
2.7758 11
2.7758 11
2.4697 17
2.4862 13
2.6824 8
2.7125 9
2.6562 10
13 O 3.264 10
2.8105 8
2.6844 10
2.5674 11
2.775 17
2.775 17
2.771 9
2.4862 12
2.771 9
2.8105 8
2.6844 10
14 O 3.264 9
2.6596 8
3.0706 15
3.0706 15
2.6428 16
2.6596 8
2.7413 10
3.1895 16
3.1895 16
2.7413 10
15 O 3.264 9
2.9597 8
2.6186 9
3.0706 14
3.0706 14
2.9597 8
2.6186 9
2.628 10
2.7005 16
2.628 10
16 O 3.264 8
2.6055 10
2.6031 8
2.6428 14
2.6031 8
2.6055 10
3.1895 14
3.1895 14
2.7005 15
17 O 3.264 10
2.7178 8
2.6852 10
2.4697 12
2.775 13
2.775 13
2.9633 9
2.7422 11
2.9633 9
2.7178 8
2.6852 10
18 H 1.632 1
0.9863 17
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 5.18 10.359 0.059 242.42 4 0.3 0.0
2 2 0 0 5.451 10.902 0.062 218.67 2 47.8 122.9
3 2 0 1 7.015 14.031 0.079 131.11 4 2.4 0.4
4 0 0 2 8.833 17.665 0.1 81.89 2 99.4 199.1
5 0 1 1 9.138 18.276 0.103 76.37 4 16.4 10.1
6 1 0 2 9.249 18.498 0.104 74.49 4 24.6 22.1
7 3 0 1 9.315 18.629 0.105 73.42 4 5.0 0.9
8 1 1 1 9.542 19.083 0.108 69.86 8 28.9 57.5
9 2 1 0 9.694 19.387 0.109 67.62 4 3.4 0.4
10 2 0 2 10.402 20.804 0.117 58.44 4 28.1 22.7
11 2 1 1 10.664 21.329 0.12 55.5 8 3.9 0.8
12 4 0 0 10.952 21.903 0.123 52.51 2 88.0 100.0
13 4 0 1 11.824 23.648 0.133 44.75 4 50.7 56.6
14 3 0 2 12.092 24.183 0.136 42.7 4 63.9 85.7
15 1 1 2 12.27 24.539 0.138 41.41 8 15.1 9.3
16 3 1 1 12.32 24.639 0.138 41.06 8 73.6 219.1
17 2 1 2 13.172 26.344 0.148 35.66 8 3.4 0.4
18 1 0 3 13.602 27.203 0.153 33.32 4 0.0 0.0
19 4 1 0 13.616 27.232 0.153 33.24 4 0.8 0.0
20 4 0 2 14.139 28.278 0.159 30.69 4 73.4 81.3
21 4 1 1 14.337 28.673 0.161 29.79 8 34.5 35.0
22 2 0 3 14.427 28.854 0.162 29.4 4 67.0 65.0
23 5 0 1 14.453 28.905 0.162 29.28 4 92.3 122.8
24 3 1 2 14.561 29.122 0.163 28.82 8 16.9 8.1
25 0 1 3 15.607 31.213 0.175 24.84 4 251.4 772.4
26 3 0 3 15.714 31.428 0.176 24.47 4 20.9 5.3
27 1 1 3 15.854 31.708 0.177 24.01 8 71.9 122.1
28 0 2 0 16.144 32.288 0.18 23.09 2 234.4 312.1
29 4 1 2 16.324 32.648 0.182 22.54 8 14.3 4.5
30 5 0 2 16.427 32.854 0.184 22.24 4 155.6 264.9
31 6 0 0 16.557 33.114 0.185 21.86 2 178.4 171.1
32 2 1 3 16.577 33.154 0.185 21.8 8 59.4 75.8
33 5 1 1 16.6 33.2 0.185 21.74 8 156.9 526.4
34 1 2 1 16.998 33.996 0.19 20.65 8 31.5 20.2
35 2 2 0 17.087 34.174 0.191 20.41 4 114.5 131.7
36 6 0 1 17.166 34.331 0.192 20.21 4 32.3 10.4
37 4 0 3 17.372 34.743 0.194 19.69 4 6.7 0.4
38 2 2 1 17.68 35.359 0.197 18.95 8 20.6 7.9
39 3 1 3 17.724 35.448 0.198 18.85 8 92.4 158.4
40 0 0 4 17.884 35.769 0.199 18.48 2 49.5 11.1
41 1 0 4 18.104 36.209 0.202 17.99 4 75.7 50.7
42 5 1 2 18.368 36.736 0.205 17.43 8 23.7 9.7
43 6 1 0 18.486 36.972 0.206 17.18 4 3.6 0.1
44 0 2 2 18.52 37.039 0.206 17.11 4 86.0 62.3
45 1 2 2 18.733 37.466 0.208 16.69 8 110.1 199.1
46 2 0 4 18.751 37.502 0.209 16.65 4 66.0 35.7
47 3 2 1 18.767 37.535 0.209 16.62 8 4.2 0.3
48 6 0 2 18.887 37.775 0.21 16.39 4 37.0 11.0
49 6 1 1 19.041 38.081 0.212 16.1 8 44.9 32.0
50 4 1 3 19.229 38.458 0.214 15.75 8 89.2 123.4
51 5 0 3 19.319 38.638 0.215 15.59 4 30.6 7.2
52 2 2 2 19.362 38.723 0.215 15.51 8 116.6 207.5
53 4 2 0 19.679 39.359 0.219 14.96 4 17.3 2.2
54 3 0 4 19.788 39.576 0.22 14.78 4 28.9 6.1
55 1 1 4 19.903 39.806 0.221 14.59 8 43.7 27.5
56 7 0 1 19.951 39.902 0.221 14.51 4 70.4 35.4
57 4 2 1 20.206 40.412 0.224 14.11 8 84.3 98.6
58 3 2 2 20.373 40.745 0.226 13.85 8 51.9 36.7
59 2 1 4 20.501 41.003 0.227 13.66 8 19.7 5.2
60 6 1 2 20.628 41.256 0.229 13.47 8 19.2 4.9
61 5 1 3 21.029 42.059 0.233 12.91 8 6.0 0.5
62 4 0 4 21.169 42.337 0.234 12.72 4 23.1 3.3
63 1 2 3 21.356 42.712 0.236 12.47 8 65.0 51.9
64 3 1 4 21.468 42.936 0.238 12.32 8 39.3 18.7
65 7 0 2 21.482 42.965 0.238 12.3 4 8.8 0.5
66 6 0 3 21.495 42.989 0.238 12.29 4 105.9 67.8
67 7 1 1 21.62 43.24 0.239 12.13 8 7.7 0.7
68 4 2 2 21.722 43.445 0.24 12.0 8 14.0 2.3
69 2 2 3 21.922 43.844 0.242 11.76 8 126.7 185.7
70 5 2 1 21.94 43.88 0.243 11.73 8 122.5 173.2
71 8 0 0 22.331 44.663 0.247 11.28 2 199.8 110.8
72 1 0 5 22.756 45.511 0.251 10.81 4 1.1 0.0
73 4 1 4 22.765 45.53 0.251 10.8 8 41.2 18.0
74 8 0 1 22.808 45.616 0.252 10.75 4 92.9 45.7
75 3 2 3 22.84 45.679 0.252 10.72 8 37.6 14.9
76 5 0 4 22.843 45.686 0.252 10.71 4 109.2 62.9
77 7 1 2 23.061 46.122 0.254 10.49 8 56.8 33.4
78 6 1 3 23.073 46.146 0.254 10.47 8 9.1 0.9
79 2 0 5 23.294 46.588 0.257 10.25 4 97.4 47.8
80 5 2 2 23.365 46.73 0.257 10.18 8 108.4 117.7
81 6 2 0 23.462 46.925 0.258 10.08 4 15.9 1.3
82 7 0 3 23.857 47.714 0.263 9.71 4 30.5 4.4
83 8 1 0 23.866 47.732 0.263 9.7 4 80.0 30.6
84 6 2 1 23.921 47.843 0.263 9.65 8 14.3 2.0
85 4 2 3 24.078 48.157 0.265 9.51 8 3.9 0.1
86 0 1 5 24.096 48.193 0.265 9.49 4 17.8 1.5
87 3 0 5 24.171 48.342 0.266 9.43 4 42.7 8.4
88 8 0 2 24.193 48.387 0.266 9.41 4 89.8 37.3
89 1 1 5 24.269 48.539 0.267 9.34 8 26.9 6.6
90 8 1 1 24.319 48.638 0.267 9.3 8 27.3 6.8
91 5 1 4 24.353 48.705 0.268 9.27 8 55.4 28.0
92 0 2 4 24.473 48.947 0.269 9.16 4 47.4 10.1
93 1 2 4 24.644 49.289 0.271 9.02 8 145.6 188.3
94 6 0 4 24.768 49.537 0.272 8.92 4 21.2 2.0
95 2 1 5 24.783 49.565 0.272 8.91 8 67.5 39.9
96 0 3 1 25.093 50.185 0.275 8.66 4 22.6 2.2
97 2 2 4 25.152 50.304 0.276 8.61 8 36.4 11.2
98 6 2 2 25.26 50.52 0.277 8.53 8 25.0 5.2
99 1 3 1 25.26 50.521 0.277 8.53 8 13.2 1.5
100 7 1 3 25.321 50.641 0.278 8.48 8 21.4 3.8
101 2 3 0 25.325 50.65 0.278 8.48 4 17.2 1.2
102 4 0 5 25.361 50.721 0.278 8.45 4 25.0 2.6
103 5 2 3 25.604 51.208 0.281 8.27 8 28.0 6.4
104 3 1 5 25.621 51.243 0.281 8.26 8 5.7 0.3
105 8 1 2 25.643 51.285 0.281 8.24 8 11.1 1.0
106 9 0 1 25.741 51.481 0.282 8.17 4 9.9 0.4
107 2 3 1 25.759 51.518 0.282 8.16 8 4.3 0.1
108 3 2 4 25.982 51.964 0.284 8.0 8 50.2 19.9
109 7 2 1 26.114 52.228 0.286 7.9 8 10.0 0.8
110 6 1 4 26.194 52.388 0.287 7.85 8 47.8 17.6
111 8 0 3 26.38 52.76 0.288 7.72 4 1.7 0.0
112 1 3 2 26.55 53.099 0.29 7.61 8 17.1 2.2
113 3 3 1 26.576 53.151 0.29 7.6 8 62.4 29.1
114 4 1 5 26.764 53.527 0.292 7.47 8 74.6 40.9
115 5 0 5 26.833 53.666 0.293 7.43 4 12.1 0.5
116 7 0 4 26.91 53.821 0.294 7.38 4 33.4 4.1
117 9 0 2 27.014 54.027 0.295 7.32 4 67.7 16.5
118 2 3 2 27.031 54.063 0.295 7.31 8 1.5 0.0
119 4 2 4 27.114 54.227 0.296 7.26 8 32.9 7.7
120 9 1 1 27.13 54.26 0.296 7.25 8 93.6 62.5
121 4 3 0 27.278 54.556 0.297 7.16 4 6.7 0.2
122 7 2 2 27.375 54.749 0.298 7.1 8 81.3 46.2
123 6 2 3 27.385 54.77 0.299 7.09 8 32.0 7.1
124 0 0 6 27.429 54.858 0.299 7.07 2 96.4 16.2
125 1 0 6 27.587 55.173 0.301 6.98 4 91.3 28.6
126 4 3 1 27.69 55.38 0.302 6.92 8 27.1 5.0
127 8 1 3 27.747 55.493 0.302 6.89 8 14.8 1.5
128 3 3 2 27.822 55.644 0.303 6.84 8 20.0 2.7
129 2 0 6 28.056 56.113 0.305 6.71 4 38.8 5.0
130 8 2 0 28.088 56.177 0.306 6.7 4 89.8 26.6
131 5 1 5 28.185 56.369 0.307 6.65 8 103.0 69.5
132 7 1 4 28.26 56.519 0.307 6.61 8 16.1 1.7
133 10 0 0 28.356 56.713 0.308 6.55 2 74.8 9.0
134 9 1 2 28.359 56.719 0.308 6.55 8 104.4 70.3
135 1 2 5 28.448 56.897 0.309 6.51 8 18.5 2.2
136 0 3 3 28.453 56.907 0.309 6.5 4 180.1 103.8
137 8 2 1 28.493 56.986 0.31 6.48 8 17.6 2.0
138 5 2 4 28.523 57.046 0.31 6.47 8 178.7 203.4
139 6 0 5 28.561 57.121 0.31 6.45 4 78.6 19.6
140 1 3 3 28.607 57.215 0.311 6.43 8 63.8 25.8
141 10 0 1 28.759 57.517 0.312 6.35 4 7.4 0.2
142 3 0 6 28.828 57.656 0.313 6.31 4 217.2 146.6
143 4 3 2 28.904 57.808 0.314 6.28 8 19.6 2.4
144 2 2 5 28.909 57.818 0.314 6.27 8 8.4 0.4
145 1 1 6 28.915 57.83 0.314 6.27 8 30.3 5.7
146 9 0 3 29.049 58.099 0.315 6.21 4 2.5 0.0
147 2 3 3 29.066 58.133 0.315 6.2 8 47.3 13.7
148 5 3 1 29.081 58.162 0.315 6.19 8 122.7 91.8
149 8 0 4 29.245 58.491 0.317 6.11 4 43.5 5.7
150 2 1 6 29.371 58.741 0.318 6.05 8 28.5 4.8
151 7 2 3 29.394 58.788 0.319 6.04 8 10.9 0.7
152 10 1 0 29.662 59.324 0.321 5.92 4 145.9 62.1
153 3 2 5 29.666 59.332 0.321 5.92 8 34.8 7.0
154 8 2 2 29.685 59.371 0.321 5.91 8 55.7 18.0
155 3 3 3 29.821 59.642 0.323 5.85 8 71.7 29.6
156 6 1 5 29.861 59.721 0.323 5.83 8 73.7 31.2
157 4 0 6 29.887 59.773 0.323 5.82 4 130.5 48.8
158 10 0 2 29.944 59.889 0.324 5.8 4 17.2 0.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 5.451 10.902 8.109 122.9 15.9 16.1 5.6
2 0 0 2 8.833 17.665 5.0165 199.1 25.8 26.0 5.6
3 0 1 1 9.138 18.276 4.85017 10.1 1.3 1.3 5.6
4 1 0 2 9.249 18.498 4.79247 22.1 2.9 2.9 5.6
5 1 1 1 9.542 19.083 4.64682 57.5 7.4 7.5 5.6
6 2 0 2 10.402 20.804 4.26615 22.7 2.9 3.0 5.6
7 4 0 0 10.952 21.903 4.0545 100.0 12.9 13.0 5.6
8 4 0 1 11.824 23.648 3.75915 56.6 7.3 7.4 5.6
9 3 0 2 12.092 24.183 3.6772 85.7 11.1 11.2 5.6
10 1 1 2 12.27 24.539 3.62465 9.3 1.2 1.2 5.6
11 3 1 1 12.32 24.639 3.61016 219.1 28.4 28.5 5.6
12 4 0 2 14.139 28.278 3.15333 81.3 10.5 10.6 5.6
13 4 1 1 14.337 28.673 3.11075 35.0 4.5 4.5 5.6
14 5 0 1 14.453 28.905 3.08632 187.7 24.3 24.4 5.6
15 3 1 2 14.561 29.122 3.06383 8.1 1.0 1.0 5.6
16 0 1 3 15.607 31.213 2.86318 772.4 100.0 100.0 5.6
17 1 1 3 15.854 31.708 2.81958 122.1 15.8 15.8 5.6
18 0 2 0 16.144 32.288 2.7703 312.1 40.4 40.4 5.6
19 5 0 2 16.427 32.854 2.72382 264.9 34.3 34.2 5.6
20 6 0 0 16.557 33.114 2.703 246.9 32.0 31.9 5.6
21 5 1 1 16.6 33.2 2.69623 526.4 68.2 68.0 5.6
22 1 2 1 16.998 33.996 2.63489 20.2 2.6 2.6 5.7
23 2 2 0 17.087 34.174 2.62154 131.7 17.0 17.0 5.7
24 6 0 1 17.166 34.331 2.60994 10.4 1.3 1.3 5.7
25 2 2 1 17.68 35.359 2.53638 7.9 1.0 1.0 5.7
26 3 1 3 17.724 35.448 2.53021 158.4 20.5 20.4 5.7
27 0 0 4 17.884 35.769 2.50825 11.1 1.4 1.4 5.7
28 1 0 4 18.104 36.209 2.47878 50.7 6.6 6.5 5.7
29 5 1 2 18.368 36.736 2.4444 9.7 1.3 1.2 5.7
30 0 2 2 18.52 37.039 2.42509 62.3 8.1 8.0 5.7
31 1 2 2 18.733 37.466 2.39842 234.8 30.4 30.2 5.7
32 6 0 2 18.887 37.775 2.37956 11.0 1.4 1.4 5.7
33 6 1 1 19.041 38.081 2.3611 32.0 4.1 4.1 5.7
34 4 1 3 19.229 38.458 2.3388 123.4 16.0 15.9 5.7
35 2 2 2 19.362 38.723 2.32341 207.5 26.9 26.7 5.7
36 1 1 4 19.903 39.806 2.26266 27.5 3.6 3.5 5.7
37 7 0 1 19.951 39.902 2.25745 35.4 4.6 4.5 5.7
38 4 2 1 20.206 40.412 2.23013 98.6 12.8 12.7 5.7
39 3 2 2 20.373 40.745 2.21265 36.7 4.8 4.7 5.7
40 1 2 3 21.356 42.712 2.11519 51.9 6.7 6.6 5.7
41 6 0 3 21.495 42.989 2.10222 87.0 11.3 11.1 5.7
42 2 2 3 21.922 43.844 2.06321 358.9 46.5 45.9 5.7
43 8 0 0 22.331 44.663 2.02725 110.8 14.3 14.2 5.7
44 4 1 4 22.765 45.53 1.99064 18.0 2.3 2.3 5.7
45 8 0 1 22.808 45.616 1.98709 45.7 5.9 5.8 5.7
46 5 0 4 22.843 45.686 1.9842 77.8 10.1 9.9 5.7
47 7 1 2 23.061 46.122 1.96643 34.2 4.4 4.4 5.7
48 2 0 5 23.294 46.588 1.94785 47.8 6.2 6.1 5.7
49 5 2 2 23.365 46.73 1.94225 117.7 15.2 15.0 5.7
50 8 1 0 23.866 47.732 1.90381 35.0 4.5 4.5 5.7
51 8 0 2 24.193 48.387 1.87957 45.8 5.9 5.8 5.7
52 5 1 4 24.353 48.705 1.86802 28.0 3.6 3.6 5.7
53 0 2 4 24.473 48.947 1.85936 10.1 1.3 1.3 5.7
54 1 2 4 24.644 49.289 1.84726 188.3 24.4 23.9 5.7
55 2 1 5 24.783 49.565 1.8376 41.9 5.4 5.3 5.7
56 2 2 4 25.152 50.304 1.81233 11.2 1.5 1.4 5.8
57 3 2 4 25.982 51.964 1.75827 19.9 2.6 2.5 5.8
58 6 1 4 26.194 52.388 1.74503 17.6 2.3 2.2 5.8
59 3 3 1 26.576 53.151 1.72176 31.3 4.1 4.0 5.8
60 4 1 5 26.764 53.527 1.71055 40.9 5.3 5.2 5.8
61 9 0 2 27.014 54.027 1.6959 16.5 2.1 2.1 5.8
62 9 1 1 27.13 54.26 1.68918 70.2 9.1 8.9 5.8
63 7 2 2 27.375 54.749 1.67522 53.4 6.9 6.7 5.8
64 0 0 6 27.429 54.858 1.67217 16.2 2.1 2.0 5.8
65 1 0 6 27.587 55.173 1.66335 28.6 3.7 3.6 5.8
66 8 2 0 28.088 56.177 1.636 26.6 3.4 3.4 5.8
67 5 1 5 28.185 56.369 1.63086 69.5 9.0 8.7 5.8
68 9 1 2 28.359 56.719 1.62164 79.3 10.3 10.0 5.8
69 0 3 3 28.453 56.907 1.61672 106.0 13.7 13.3 5.8
70 5 2 4 28.523 57.046 1.61312 203.4 26.3 25.6 5.8
71 6 0 5 28.561 57.121 1.61117 19.6 2.5 2.5 5.8
72 1 3 3 28.607 57.215 1.60875 25.8 3.3 3.2 5.8
73 3 0 6 28.828 57.656 1.59749 146.6 19.0 18.4 5.8
74 1 1 6 28.915 57.83 1.59311 8.5 1.1 1.1 5.8
75 5 3 1 29.081 58.162 1.58479 105.5 13.7 13.3 5.8
76 10 1 0 29.662 59.324 1.55649 87.1 11.3 10.9 5.8
77 3 3 3 29.821 59.642 1.54894 29.6 3.8 3.7 5.8
78 4 0 6 29.887 59.773 1.54586 80.0 10.4 10.0 5.8
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)
|