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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LOVERINGITE
1, s-crichtonite
Ca(0.72)TR(0.38)Ti(12.48)Fe(3.38)Cr(2.24)(Mg,Zr,Al,V,Mn)(2.04)O(38)
Rhombohedral * R3(-) Z = 1
R =0.043 NR =398
6 .10 .1997
Ref.Str.:
Gatehouse B.M., Grey I.E. et al. (1978)
* Amer. Mineral., 63, 28-36
Reserv:
La(pos.1,2)=La,Hf,Ce. Y(pos.1)=Y,Th,U,Pb.
Ti(pos.4)=Ti,V. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.117 alpha = 69.07
b = 9.117 beta = 69.07
c = 9.117 gamma = 69.07
Unit cell volume (cub. angs.) = 637.79
Molar volume ( cub.cm/mol.) = 384.16
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 2.11 Ca = 0.72, La = 0.23, Y = 0.05
2 0.5 0.5 0.5 0.77 Zr = 0.58, La = 0.1 , Mg = 0.32
3 0.3109 0.3109 0.3109 0.69 Mg = 0.3 , Fe = 0.62
4 0.3475 0.1232 0.0216 0.72 Cr = 0.38, Fe = 0.35, Ti = 0.18
5 0.3084 0.7208 0.1459 0.63 Ti = 0.97, Al = 0.03
6 0.4761 0.0816 0.6398 0.75 Ti = 0.97, Al = 0.03
7 0.3058 0.6269 0.3801 0.92 O = 1.00
8 0.1523 0.2378 0.9393 1.14 O = 1.00
9 0.9211 0.4571 0.3002 0.47 O = 1.00
10 0.1427 0.5149 0.9908 1.16 O = 1.00
11 0.3901 0.4896 0.1345 1.11 O = 1.00
12 0.7104 0.241 0.0699 0.55 O = 1.00
13 0.212 0.212 0.212 0.55 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 0.5 0.5 0.5
3 3 0.3109 0.3109 0.3109
4 4 0.3475 0.1232 0.0216
5 5 0.3084 0.7208 0.1459
6 6 0.4761 0.0816 0.6398
7 7 0.3058 0.6269 0.3801
8 8 0.1523 0.2378 0.9393
9 9 0.9211 0.4571 0.3002
10 10 0.1427 0.5149 0.9908
11 11 0.3901 0.4896 0.1345
12 12 0.7104 0.241 0.0699
13 13 0.212 0.212 0.212
14 4 0.1232 0.0216 0.3475
15 4 0.0216 0.3475 0.1232
16 5 0.7208 0.1459 0.3084
17 5 0.1459 0.3084 0.7208
18 6 0.0816 0.6398 0.4761
19 6 0.6398 0.4761 0.0816
20 7 0.6269 0.3801 0.3058
21 7 0.3801 0.3058 0.6269
22 8 0.2378 0.9393 0.1523
23 8 0.9393 0.1523 0.2378
24 9 0.4571 0.3002 0.9211
25 9 0.3002 0.9211 0.4571
26 10 0.5149 0.9908 0.1427
27 10 0.9908 0.1427 0.5149
28 11 0.4896 0.1345 0.3901
29 11 0.1345 0.3901 0.4896
30 12 0.241 0.0699 0.7104
31 12 0.0699 0.7104 0.241
32 3 0.6891 0.6891 0.6891
33 4 0.6525 0.8768 0.9784
34 5 0.6916 0.2792 0.8541
35 6 0.5239 0.9184 0.3602
36 7 0.6942 0.3731 0.6199
37 8 0.8477 0.7622 0.0607
38 9 0.0789 0.5429 0.6998
39 10 0.8573 0.4851 0.0092
40 11 0.6099 0.5104 0.8655
41 12 0.2896 0.759 0.9301
42 13 0.788 0.788 0.788
43 4 0.8768 0.9784 0.6525
44 4 0.9784 0.6525 0.8768
45 5 0.2792 0.8541 0.6916
46 5 0.8541 0.6916 0.2792
47 6 0.9184 0.3602 0.5239
48 6 0.3602 0.5239 0.9184
49 7 0.3731 0.6199 0.6942
50 7 0.6199 0.6942 0.3731
51 8 0.7622 0.0607 0.8477
52 8 0.0607 0.8477 0.7622
53 9 0.5429 0.6998 0.0789
54 9 0.6998 0.0789 0.5429
55 10 0.4851 0.0092 0.8573
56 10 0.0092 0.8573 0.4851
57 11 0.5104 0.8655 0.6099
58 11 0.8655 0.6099 0.5104
59 12 0.759 0.9301 0.2896
60 12 0.9301 0.2896 0.759
X-ray density (g/cm cub.) = 4.39
MU (1/cm) = 656.863 Mass attenuation coefficient (cm**2/g) = 149.647
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,La ,Y 2.88 12
2.7711 8
2.8033 12
2.7711 8
2.7711 8
2.8033 12
2.8033 12
2.7711 8
2.8033 12
2.7711 8
2.7711 8
2.8033 12
2.8033 12
2 Zr ,La ,Mg 2.88 6
2.1642 7
2.1642 7
2.1642 7
2.1642 7
2.1642 7
2.1642 7
3 Mg ,Fe 2.592 4
1.9751 11
2.0449 13
1.9751 11
1.9751 11
4 Cr ,Fe ,Ti 2.628 6
1.9719 8
1.9882 13
2.0373 8
1.9706 9
1.9848 10
1.9327 10
5 Ti ,Al 2.568 6
1.9912 7
1.997 11
1.8778 8
2.0568 12
1.9314 12
1.9592 9
6 Ti ,Al 2.568 6
1.8929 7
2.1185 11
2.0368 12
1.906 9
1.8753 10
1.9836 11
7 O 3.264 12
2.6939 11
3.0096 7
3.0096 7
2.8709 8
2.9852 9
2.8021 11
2.6273 12
2.931 9
3.1109 7
3.1109 7
2.8525 9
2.8583 10
8 O 3.264 11
2.6964 10
2.6439 13
2.8709 7
2.7523 8
2.7523 8
2.9675 9
2.7467 12
2.8857 9
2.8623 10
3.0138 10
2.8583 12
9 O 3.264 12
2.8184 10
2.8635 13
2.9852 7
2.9675 8
2.8338 10
2.8174 11
2.8791 12
2.931 7
2.8857 8
2.8204 10
2.8525 7
2.565 11
10 O 3.264 12
2.6964 8
2.8184 9
2.8949 11
2.7888 13
2.8338 9
3.1303 12
2.8623 8
2.8204 9
2.652 10
2.7879 12
2.8583 7
3.0138 8
11 O 3.264 10
2.6939 7
2.8949 10
3.0013 12
3.2218 13
2.8021 7
2.8174 9
2.9479 12
2.5484 11
2.5859 12
2.565 9
12 O 3.264 11
3.0013 11
2.6273 7
2.7467 8
2.8791 9
3.1303 10
2.9479 11
2.7879 10
2.5859 11
2.8583 8
2.8148 12
2.8148 12
13 O 3.264 12
2.6439 8
2.8635 9
2.7888 10
3.2218 11
2.6439 8
2.6439 8
2.8635 9
2.8635 9
2.7888 10
2.7888 10
3.2218 11
3.2218 11
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 0 5.38 10.76 0.061 224.52 6 0.2 0.0
2 1 1 1 6.417 12.834 0.073 157.15 2 4.2 1.4
3 1 1 0 6.536 13.071 0.074 151.42 6 4.7 4.8
4 1 -1 0 8.571 17.142 0.097 87.11 6 1.0 0.1
5 2 1 1 9.908 19.817 0.112 64.63 6 36.6 127.7
6 1 -1 1 10.141 20.282 0.114 61.6 6 21.5 42.0
7 1 2 0 10.736 21.472 0.121 54.73 6 46.5 174.6
8 2 1 0 10.736 21.472 0.121 54.73 6 37.2 111.9
9 2 0 0 10.808 21.617 0.122 53.97 6 28.5 64.8
10 1 2 2 11.84 23.68 0.133 44.62 6 49.9 164.1
11 2 2 2 12.916 25.832 0.145 37.17 2 22.7 9.5
12 2 2 0 13.158 26.316 0.148 35.74 6 132.5 926.2
13 1 -2 0 13.337 26.674 0.15 34.73 6 36.5 68.4
14 2 -1 0 13.337 26.674 0.15 34.73 6 1.4 0.1
15 2 -1 1 13.859 27.718 0.155 32.02 6 6.3 1.9
16 2 1 -1 13.859 27.718 0.155 32.02 6 31.5 46.8
17 3 1 1 14.69 29.381 0.165 28.28 6 149.8 936.5
18 -2 1 1 14.959 29.919 0.168 27.2 6 95.8 368.3
19 1 2 3 15.584 31.168 0.174 24.92 6 141.2 732.7
20 3 2 1 15.584 31.168 0.174 24.92 6 117.4 506.2
21 1 3 0 15.788 31.577 0.177 24.23 6 143.6 736.9
22 3 1 0 15.788 31.577 0.177 24.23 6 69.0 169.9
23 3 2 2 15.939 31.877 0.178 23.74 6 45.7 73.1
24 -1 2 2 16.337 32.674 0.183 22.5 6 77.9 201.5
25 3 0 0 16.337 32.674 0.183 22.5 6 73.8 180.8
26 2 3 0 17.106 34.213 0.191 20.36 6 57.7 99.9
27 3 2 0 17.106 34.213 0.191 20.36 6 120.3 435.0
28 2 -2 0 17.341 34.683 0.193 19.77 6 59.7 103.8
29 2 3 3 18.072 36.143 0.201 18.06 6 1.1 0.0
30 1 3 3 18.206 36.413 0.203 17.77 6 16.6 7.2
31 1 -2 2 18.208 36.416 0.203 17.76 6 34.1 30.5
32 1 2 -2 18.208 36.416 0.203 17.76 6 164.4 708.1
33 3 -1 1 18.562 37.124 0.207 17.03 6 61.2 94.1
34 3 1 -1 18.562 37.124 0.207 17.03 6 64.0 103.0
35 1 -3 0 18.606 37.212 0.207 16.94 6 91.9 210.9
36 3 -1 0 18.606 37.212 0.207 16.94 6 10.9 3.0
37 3 3 3 19.59 39.18 0.218 15.12 2 66.6 32.9
38 3 3 0 19.966 39.932 0.222 14.49 6 4.7 0.5
39 4 1 1 19.966 39.932 0.222 14.49 6 19.0 7.7
40 4 2 2 20.13 40.26 0.223 14.23 6 8.3 1.4
41 -1 2 3 20.131 40.262 0.223 14.23 6 140.1 412.0
42 3 2 -1 20.131 40.262 0.223 14.23 6 111.0 258.8
43 1 2 4 20.253 40.506 0.225 14.04 6 27.8 16.0
44 4 2 1 20.253 40.506 0.225 14.04 6 31.2 20.2
45 -3 1 1 20.254 40.509 0.225 14.04 6 8.6 1.5
46 2 -2 2 20.619 41.238 0.229 13.49 6 1.2 0.0
47 1 4 0 21.215 42.429 0.235 12.66 6 85.3 135.9
48 4 1 0 21.215 42.429 0.235 12.66 6 195.9 716.6
49 2 3 4 21.526 43.051 0.238 12.25 6 47.6 40.9
50 4 3 2 21.526 43.051 0.238 12.25 6 37.8 25.8
51 2 4 0 21.874 43.748 0.242 11.81 6 1.9 0.1
52 4 2 0 21.874 43.748 0.242 11.81 6 1.0 0.0
53 1 3 4 22.026 44.053 0.243 11.63 6 25.6 11.3
54 4 3 1 22.026 44.053 0.243 11.63 6 34.5 20.4
55 4 0 0 22.028 44.055 0.243 11.63 6 6.2 0.6
56 2 -3 0 22.142 44.284 0.245 11.49 6 4.2 0.3
57 3 -2 0 22.142 44.284 0.245 11.49 6 1.2 0.0
58 4 3 3 22.479 44.958 0.248 11.11 6 41.8 28.7
59 1 -2 3 22.482 44.963 0.248 11.11 6 32.0 16.8
60 3 -2 1 22.482 44.963 0.248 11.11 6 18.2 5.4
61 -1 3 3 23.039 46.077 0.254 10.51 6 23.3 8.4
62 -3 2 1 23.223 46.445 0.256 10.32 6 60.5 55.7
63 1 2 -3 23.223 46.445 0.256 10.32 6 44.6 30.3
64 4 -1 1 23.802 47.604 0.262 9.76 6 98.3 139.3
65 4 1 -1 23.802 47.604 0.262 9.76 6 22.9 7.6
66 3 4 0 23.909 47.817 0.263 9.66 6 110.0 172.4
67 4 3 0 23.909 47.817 0.263 9.66 6 18.6 5.0
68 1 -4 0 24.195 48.389 0.266 9.41 6 38.9 21.0
69 3 -2 2 24.195 48.389 0.266 9.41 6 30.5 12.9
70 3 2 -2 24.195 48.389 0.266 9.41 6 34.0 16.1
71 4 -1 0 24.195 48.389 0.266 9.41 6 13.7 2.6
72 2 4 4 24.228 48.456 0.266 9.38 6 50.3 35.0
73 3 4 4 24.754 49.509 0.272 8.93 6 26.2 9.0
74 -1 2 4 24.757 49.513 0.272 8.93 6 1.2 0.0
75 4 2 -1 24.757 49.513 0.272 8.93 6 130.5 224.3
76 1 4 4 25.033 50.066 0.275 8.7 6 10.6 1.5
77 5 2 2 25.033 50.066 0.275 8.7 6 19.4 4.8
78 1 2 5 25.48 50.96 0.279 8.36 6 25.3 7.9
79 5 2 1 25.48 50.96 0.279 8.36 6 233.4 671.7
80 5 1 1 25.583 51.165 0.28 8.28 6 22.5 6.2
81 -3 2 2 25.584 51.168 0.28 8.28 6 32.0 12.5
82 2 3 5 25.887 51.773 0.283 8.06 6 15.3 2.8
83 5 3 2 25.887 51.773 0.283 8.06 6 100.0 118.9
84 -4 1 1 25.889 51.778 0.283 8.06 6 16.0 3.1
85 5 3 3 26.389 52.778 0.289 7.72 6 5.7 0.4
86 4 4 4 26.554 53.109 0.29 7.61 2 106.1 42.1
87 3 -3 0 26.558 53.115 0.29 7.61 6 7.9 0.7
88 1 3 5 26.655 53.31 0.291 7.54 6 3.2 0.1
89 5 3 1 26.655 53.31 0.291 7.54 6 4.8 0.3
90 -1 3 4 26.953 53.905 0.294 7.36 6 27.6 8.3
91 1 5 0 26.953 53.905 0.294 7.36 6 113.4 139.4
92 4 3 -1 26.953 53.905 0.294 7.36 6 119.2 154.2
93 5 1 0 26.953 53.905 0.294 7.36 6 47.6 24.6
94 4 4 0 27.083 54.166 0.296 7.28 6 23.3 5.8
95 -2 3 3 27.084 54.168 0.296 7.27 6 73.3 57.7
96 2 5 0 27.181 54.363 0.297 7.22 6 41.4 18.3
97 5 2 0 27.181 54.363 0.297 7.22 6 33.3 11.8
98 1 -3 3 27.182 54.365 0.297 7.22 6 61.8 40.6
99 1 3 -3 27.182 54.365 0.297 7.22 6 9.5 1.0
100 1 -2 4 27.442 54.885 0.299 7.06 6 19.7 4.0
101 4 -2 1 27.442 54.885 0.299 7.06 6 3.9 0.2
102 2 -4 0 27.475 54.95 0.299 7.04 6 6.9 0.5
103 4 -2 0 27.475 54.95 0.299 7.04 6 3.5 0.1
104 2 4 5 27.955 55.911 0.304 6.77 6 14.3 2.0
105 5 4 2 27.955 55.911 0.304 6.77 6 24.6 6.0
106 5 0 0 27.957 55.915 0.304 6.77 6 123.1 151.4
107 3 4 5 28.115 56.229 0.306 6.68 6 43.6 18.7
108 5 4 3 28.115 56.229 0.306 6.68 6 35.1 12.1
109 3 5 0 28.624 57.247 0.311 6.42 6 29.4 8.2
110 5 3 0 28.624 57.247 0.311 6.42 6 24.6 5.7
111 4 -2 2 28.625 57.249 0.311 6.42 6 85.8 69.7
112 4 2 -2 28.625 57.249 0.311 6.42 6 71.9 49.0
113 -4 2 1 28.719 57.439 0.312 6.37 6 38.3 13.8
114 1 2 -4 28.719 57.439 0.312 6.37 6 2.1 0.0
115 1 4 5 29.0 57.999 0.315 6.23 6 301.5 835.2
116 5 4 1 29.0 57.999 0.315 6.23 6 42.3 16.4
117 2 -3 3 29.002 58.003 0.315 6.23 6 9.8 0.9
118 2 3 -3 29.002 58.003 0.315 6.23 6 31.8 9.3
119 5 4 4 29.465 58.929 0.319 6.01 6 36.7 11.9
120 5 -1 1 29.468 58.935 0.319 6.01 6 75.7 50.8
121 5 1 -1 29.468 58.935 0.319 6.01 6 82.6 60.5
122 -1 2 5 29.991 59.982 0.324 5.78 6 92.7 73.2
123 5 2 -1 29.991 59.982 0.324 5.78 6 78.3 52.2
124 1 -5 0 30.114 60.227 0.326 5.72 6 88.6 66.2
125 5 -1 0 30.114 60.227 0.326 5.72 6 61.5 32.0
126 -1 4 4 30.204 60.409 0.327 5.69 6 6.0 0.3
127 6 2 2 30.477 60.954 0.329 5.57 6 58.9 28.5
128 3 5 5 30.929 61.857 0.334 5.39 6 6.5 0.3
129 2 3 6 30.929 61.859 0.334 5.39 6 13.5 1.4
130 6 3 2 30.929 61.859 0.334 5.39 6 208.3 345.4
131 -2 3 4 30.931 61.863 0.334 5.39 6 55.9 24.8
132 4 3 -2 30.931 61.863 0.334 5.39 6 54.1 23.3
133 2 5 5 31.079 62.158 0.335 5.34 6 4.4 0.2
134 6 3 3 31.079 62.158 0.335 5.34 6 9.2 0.7
135 -4 2 2 31.082 62.164 0.335 5.34 6 33.8 9.0
136 1 2 6 31.17 62.341 0.336 5.3 6 8.5 0.6
137 4 5 0 31.17 62.341 0.336 5.3 6 27.2 5.8
138 5 4 0 31.17 62.341 0.336 5.3 6 13.6 1.4
139 6 2 1 31.17 62.341 0.336 5.3 6 34.6 9.4
140 6 1 1 31.558 63.117 0.34 5.16 6 33.4 8.5
141 -1 3 5 31.648 63.296 0.341 5.13 6 20.2 3.1
142 5 3 -1 31.648 63.296 0.341 5.13 6 43.9 14.6
143 3 -4 0 31.649 63.298 0.341 5.13 6 11.5 1.0
144 4 -3 0 31.649 63.298 0.341 5.13 6 14.7 1.6
145 -5 1 1 31.886 63.771 0.343 5.05 6 66.7 33.1
146 3 -3 3 31.886 63.771 0.343 5.05 6 19.2 2.7
147 4 5 5 31.911 63.823 0.343 5.04 6 9.1 0.6
148 1 3 6 31.913 63.827 0.343 5.04 6 26.6 5.2
149 6 3 1 31.913 63.827 0.343 5.04 6 53.1 20.9
150 1 -3 4 31.915 63.83 0.343 5.04 6 5.8 0.3
151 4 -3 1 31.915 63.83 0.343 5.04 6 63.5 30.0
152 3 4 6 32.353 64.707 0.347 4.89 6 70.1 35.4
153 6 4 3 32.353 64.707 0.347 4.89 6 69.1 34.4
154 1 5 5 32.354 64.709 0.347 4.89 6 0.1 0.0
155 2 4 6 32.5 65.001 0.349 4.84 6 3.6 0.1
156 6 4 2 32.5 65.001 0.349 4.84 6 24.7 4.4
157 -4 3 1 32.503 65.006 0.349 4.84 6 344.8 848.7
158 1 3 -4 32.503 65.006 0.349 4.84 6 82.6 48.7
159 2 6 0 32.968 65.936 0.353 4.69 6 22.1 3.4
160 6 2 0 32.968 65.936 0.353 4.69 6 10.2 0.7
161 1 -2 5 32.969 65.938 0.353 4.69 6 100.2 69.5
162 5 -2 1 32.969 65.938 0.353 4.69 6 8.1 0.5
163 1 6 0 33.056 66.111 0.354 4.67 6 39.6 10.8
164 6 1 0 33.056 66.111 0.354 4.67 6 10.4 0.7
165 2 -5 0 33.288 66.576 0.356 4.6 6 60.7 25.0
166 2 -3 4 33.288 66.576 0.356 4.6 6 12.1 1.0
167 4 -3 2 33.288 66.576 0.356 4.6 6 61.3 25.5
168 5 -2 0 33.288 66.576 0.356 4.6 6 9.2 0.6
169 6 4 4 33.313 66.626 0.357 4.59 6 86.9 51.1
170 1 4 6 33.746 67.493 0.361 4.47 6 22.8 3.4
171 6 4 1 33.746 67.493 0.361 4.47 6 19.3 2.4
172 5 -2 2 33.748 67.497 0.361 4.47 6 97.5 62.6
173 5 2 -2 33.748 67.497 0.361 4.47 6 35.5 8.3
174 5 5 5 33.974 67.947 0.363 4.41 2 23.8 1.2
175 3 6 0 33.976 67.953 0.363 4.41 6 42.0 11.5
176 6 3 0 33.976 67.953 0.363 4.41 6 29.4 5.6
177 -2 4 4 34.234 68.468 0.365 4.34 6 108.0 74.6
178 6 0 0 34.234 68.468 0.365 4.34 6 95.9 58.8
179 -1 4 5 34.348 68.695 0.366 4.31 6 21.1 2.8
180 5 4 -1 34.348 68.695 0.366 4.31 6 10.0 0.6
181 -4 3 2 34.434 68.868 0.367 4.28 6 18.9 2.3
182 2 3 -4 34.434 68.868 0.367 4.28 6 20.1 2.6
183 3 5 6 34.686 69.371 0.369 4.22 6 70.0 30.5
184 6 5 3 34.686 69.371 0.369 4.22 6 71.4 31.8
185 5 5 0 34.688 69.375 0.369 4.22 6 12.6 1.0
186 -5 2 1 34.689 69.379 0.369 4.22 6 3.6 0.1
187 1 2 -5 34.689 69.379 0.369 4.22 6 15.3 1.5
188 2 5 6 35.11 70.22 0.373 4.12 6 109.1 72.4
189 6 5 2 35.11 70.22 0.373 4.12 6 50.7 15.6
190 4 5 6 35.334 70.668 0.375 4.07 6 101.6 61.9
191 6 5 4 35.334 70.668 0.375 4.07 6 39.3 9.3
192 -2 3 5 35.59 71.18 0.378 4.01 6 47.2 13.2
193 5 3 -2 35.59 71.18 0.378 4.01 6 12.2 0.9
194 6 -1 1 35.59 71.18 0.378 4.01 6 14.5 1.2
195 6 1 -1 35.59 71.18 0.378 4.01 6 21.6 2.7
196 4 -3 3 35.703 71.405 0.379 3.98 6 39.5 9.2
197 4 3 -3 35.703 71.405 0.379 3.98 6 0.1 0.0
198 -1 2 6 35.786 71.571 0.38 3.97 6 43.7 11.2
199 6 2 -1 35.786 71.571 0.38 3.97 6 43.4 11.0
200 4 6 0 36.036 72.072 0.382 3.91 6 20.0 2.3
201 6 4 0 36.036 72.072 0.382 3.91 6 62.2 22.3
202 7 3 3 36.452 72.903 0.386 3.83 6 40.9 9.4
203 7 2 2 36.453 72.905 0.386 3.83 6 16.6 1.6
204 1 -6 0 36.454 72.909 0.386 3.83 6 46.3 12.1
205 6 -1 0 36.454 72.909 0.386 3.83 6 6.4 0.2
206 1 5 6 36.591 73.181 0.387 3.8 6 18.0 1.8
207 2 3 7 36.591 73.181 0.387 3.8 6 50.3 14.2
208 6 5 1 36.591 73.181 0.387 3.8 6 58.1 18.9
209 7 3 2 36.591 73.181 0.387 3.8 6 7.6 0.3
210 4 -4 0 36.593 73.187 0.387 3.8 6 25.7 3.7
211 6 5 5 37.031 74.061 0.391 3.71 6 9.0 0.4
212 -1 3 6 37.034 74.069 0.391 3.71 6 6.6 0.2
213 6 3 -1 37.034 74.069 0.391 3.71 6 10.0 0.6
214 -5 2 2 37.118 74.236 0.392 3.7 6 32.1 5.6
215 1 -4 4 37.118 74.236 0.392 3.7 6 19.1 2.0
216 1 4 -4 37.118 74.236 0.392 3.7 6 4.3 0.1
217 1 -3 5 37.338 74.676 0.394 3.66 6 2.4 0.0
218 5 -3 1 37.338 74.676 0.394 3.66 6 19.5 2.1
219 3 4 7 37.362 74.724 0.394 3.65 6 47.0 11.9
220 7 4 3 37.362 74.724 0.394 3.65 6 39.5 8.4
221 1 2 7 37.364 74.728 0.394 3.65 6 34.9 6.6
222 7 2 1 37.364 74.728 0.394 3.65 6 11.2 0.7
223 -4 3 3 37.366 74.732 0.394 3.65 6 16.9 1.5
224 3 -5 0 37.366 74.732 0.394 3.65 6 9.6 0.5
225 5 -3 0 37.366 74.732 0.394 3.65 6 3.3 0.1
226 2 4 7 37.774 75.548 0.398 3.58 6 11.2 0.7
227 7 4 2 37.774 75.548 0.398 3.58 6 26.7 3.8
228 1 3 7 37.775 75.55 0.398 3.58 6 32.4 5.5
229 7 3 1 37.775 75.55 0.398 3.58 6 13.6 1.0
230 3 6 6 37.992 75.984 0.4 3.55 6 41.2 8.9
231 7 4 4 37.992 75.984 0.4 3.55 6 48.6 12.3
232 -1 5 5 37.995 75.989 0.4 3.54 6 2.5 0.0
233 7 1 1 37.995 75.989 0.4 3.54 6 6.0 0.2
234 4 6 6 38.346 76.692 0.403 3.49 6 59.4 18.1
235 -6 1 1 38.35 76.701 0.403 3.49 6 54.1 15.1
236 2 -3 5 38.35 76.701 0.403 3.49 6 27.1 3.8
237 5 -3 2 38.35 76.701 0.403 3.49 6 21.9 2.5
238 -2 4 5 38.432 76.863 0.403 3.47 6 15.0 1.1
239 5 4 -2 38.432 76.863 0.403 3.47 6 21.7 2.4
240 -5 3 1 38.432 76.865 0.403 3.47 6 35.4 6.4
241 1 3 -5 38.432 76.865 0.403 3.47 6 107.1 58.7
242 2 6 6 38.674 77.347 0.406 3.44 6 11.6 0.7
243 2 -4 4 38.677 77.354 0.406 3.44 6 10.9 0.6
244 2 4 -4 38.677 77.354 0.406 3.44 6 56.2 16.0
245 5 6 0 39.082 78.164 0.409 3.38 6 22.3 2.5
246 6 5 0 39.082 78.164 0.409 3.38 6 25.2 3.2
247 -3 4 4 39.084 78.167 0.409 3.38 6 91.1 41.4
248 1 -2 6 39.084 78.167 0.409 3.38 6 17.2 1.5
249 6 -2 1 39.084 78.167 0.409 3.38 6 6.4 0.2
250 1 4 7 39.217 78.434 0.41 3.36 6 30.5 4.6
251 7 4 1 39.217 78.434 0.41 3.36 6 28.7 4.1
252 3 5 7 39.297 78.593 0.411 3.35 6 33.9 5.7
253 7 5 3 39.297 78.593 0.411 3.35 6 30.2 4.5
254 -1 4 6 39.299 78.598 0.411 3.35 6 48.5 11.6
255 2 7 0 39.299 78.598 0.411 3.35 6 59.6 17.5
256 6 4 -1 39.299 78.598 0.411 3.35 6 59.5 17.5
257 7 2 0 39.299 78.598 0.411 3.35 6 45.1 10.0
258 6 -2 2 39.543 79.087 0.413 3.31 6 55.0 14.8
259 6 2 -2 39.543 79.087 0.413 3.31 6 71.7 25.1
260 4 5 7 39.647 79.294 0.414 3.3 6 89.4 38.9
261 7 5 4 39.647 79.294 0.414 3.3 6 8.6 0.4
262 1 7 0 39.651 79.301 0.414 3.3 6 7.4 0.3
263 7 1 0 39.651 79.301 0.414 3.3 6 0.7 0.0
264 2 -6 0 39.652 79.303 0.414 3.3 6 66.7 21.7
265 6 -2 0 39.652 79.303 0.414 3.3 6 29.6 4.3
266 5 6 6 39.727 79.455 0.415 3.29 6 3.3 0.1
267 2 5 7 39.972 79.943 0.417 3.26 6 5.1 0.1
268 7 5 2 39.972 79.943 0.417 3.26 6 77.7 29.0
269 3 7 0 39.973 79.947 0.417 3.26 6 48.6 11.4
270 7 3 0 39.973 79.947 0.417 3.26 6 45.3 9.9
271 1 6 6 40.376 80.751 0.42 3.21 6 5.9 0.2
272 5 -3 3 40.378 80.757 0.421 3.21 6 92.3 40.3
273 5 3 -3 40.378 80.757 0.421 3.21 6 15.5 1.1
274 -5 3 2 40.513 81.026 0.422 3.19 6 8.5 0.3
275 2 3 -5 40.513 81.026 0.422 3.19 6 38.2 6.9
276 7 5 5 41.017 82.034 0.426 3.14 6 17.4 1.4
277 -2 3 6 41.021 82.043 0.426 3.14 6 16.1 1.2
278 6 3 -2 41.021 82.043 0.426 3.14 6 17.0 1.3
279 7 0 0 41.021 82.043 0.426 3.14 6 3.8 0.1
280 -6 2 1 41.236 82.472 0.428 3.11 6 11.4 0.6
281 1 2 -6 41.236 82.472 0.428 3.11 6 34.3 5.4
282 3 -4 4 41.236 82.472 0.428 3.11 6 40.6 7.6
283 3 4 -4 41.236 82.472 0.428 3.11 6 20.4 1.9
284 1 5 7 41.661 83.321 0.431 3.07 6 54.3 13.4
285 7 5 1 41.661 83.321 0.431 3.07 6 47.7 10.3
286 4 7 0 41.662 83.323 0.431 3.07 6 31.2 4.4
287 7 4 0 41.662 83.323 0.431 3.07 6 8.3 0.3
288 6 6 6 42.111 84.223 0.435 3.03 2 209.7 65.5
289 3 6 7 42.219 84.438 0.436 3.02 6 22.0 2.2
290 7 6 3 42.219 84.438 0.436 3.02 6 85.1 32.3
291 -2 5 5 42.223 84.445 0.436 3.02 6 22.4 2.2
292 -1 2 7 42.223 84.445 0.436 3.02 6 5.7 0.1
293 7 2 -1 42.223 84.445 0.436 3.02 6 28.2 3.5
294 4 6 7 42.298 84.597 0.437 3.01 6 5.7 0.1
295 7 6 4 42.298 84.597 0.437 3.01 6 23.6 2.5
296 7 -1 1 42.303 84.606 0.437 3.01 6 0.7 0.0
297 7 1 -1 42.303 84.606 0.437 3.01 6 67.0 19.9
298 4 -5 0 42.304 84.607 0.437 3.01 6 20.0 1.8
299 5 -4 0 42.304 84.607 0.437 3.01 6 13.3 0.8
300 8 3 3 42.54 85.079 0.439 2.99 6 71.9 22.8
301 -1 5 6 42.541 85.083 0.439 2.99 6 75.0 24.8
302 6 5 -1 42.541 85.083 0.439 2.99 6 6.7 0.2
303 1 -4 5 42.543 85.086 0.439 2.99 6 40.9 7.4
304 5 -4 1 42.543 85.086 0.439 2.99 6 0.6 0.0
305 2 3 8 42.939 85.878 0.442 2.96 6 39.9 6.9
306 8 3 2 42.939 85.878 0.442 2.96 6 29.7 3.8
307 6 6 0 43.072 86.145 0.443 2.95 6 34.4 5.2
308 8 2 2 43.072 86.145 0.443 2.95 6 56.5 13.9
309 -5 4 1 43.075 86.15 0.443 2.95 6 14.9 1.0
310 1 4 -5 43.075 86.15 0.443 2.95 6 15.9 1.1
311 2 6 7 43.151 86.301 0.444 2.94 6 8.0 0.3
312 3 4 8 43.151 86.301 0.444 2.94 6 40.2 7.0
313 7 6 2 43.151 86.301 0.444 2.94 6 67.5 19.8
314 8 4 3 43.151 86.301 0.444 2.94 6 6.5 0.2
315 -1 3 7 43.153 86.307 0.444 2.94 6 38.7 6.5
316 7 3 -1 43.153 86.307 0.444 2.94 6 50.9 11.3
317 5 6 7 43.388 86.776 0.446 2.93 6 40.9 7.2
318 7 6 5 43.388 86.776 0.446 2.93 6 13.5 0.8
319 -3 4 5 43.393 86.786 0.446 2.92 6 16.2 1.1
320 1 -7 0 43.393 86.786 0.446 2.92 6 30.6 4.0
321 5 4 -3 43.393 86.786 0.446 2.92 6 59.1 15.0
322 7 -1 0 43.393 86.786 0.446 2.92 6 61.7 16.4
323 8 4 4 43.495 86.991 0.447 2.92 6 17.0 1.2
324 -2 4 6 43.499 86.998 0.447 2.92 6 131.8 74.8
325 6 4 -2 43.499 86.998 0.447 2.92 6 12.2 0.6
326 1 -3 6 43.5 86.999 0.447 2.92 6 73.1 23.0
327 6 -3 1 43.5 86.999 0.447 2.92 6 60.5 15.7
328 -5 3 3 43.58 87.159 0.447 2.91 6 22.8 2.2
329 2 -4 5 43.792 87.584 0.449 2.9 6 10.4 0.5
330 3 -6 0 43.792 87.584 0.449 2.9 6 8.8 0.3
331 5 -4 2 43.792 87.584 0.449 2.9 6 23.0 2.3
332 6 -3 0 43.792 87.584 0.449 2.9 6 15.2 1.0
333 2 4 8 43.815 87.63 0.449 2.9 6 38.0 6.2
334 8 4 2 43.815 87.63 0.449 2.9 6 35.7 5.5
335 -6 2 2 43.818 87.637 0.449 2.9 6 34.5 5.1
336 1 2 8 44.214 88.428 0.453 2.87 6 15.5 1.0
337 8 2 1 44.214 88.428 0.453 2.87 6 23.7 2.4
338 2 -3 6 44.216 88.432 0.453 2.87 6 51.7 11.3
339 6 -3 2 44.216 88.432 0.453 2.87 6 78.7 26.2
340 1 3 8 44.346 88.693 0.454 2.86 6 64.0 17.3
341 5 7 0 44.346 88.693 0.454 2.86 6 18.4 1.4
342 7 5 0 44.346 88.693 0.454 2.86 6 66.0 18.4
343 8 3 1 44.346 88.693 0.454 2.86 6 10.3 0.4
344 3 5 8 44.769 89.537 0.457 2.84 6 60.6 15.4
345 8 5 3 44.769 89.537 0.457 2.84 6 14.3 0.9
346 4 -4 4 44.773 89.546 0.457 2.84 6 75.4 23.8
347 4 5 8 44.848 89.695 0.458 2.84 6 3.4 0.0
348 8 5 4 44.848 89.695 0.458 2.84 6 39.9 6.7
349 -5 4 2 44.853 89.706 0.458 2.84 6 9.1 0.3
350 2 4 -5 44.853 89.706 0.458 2.84 6 6.9 0.2
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 1 1 9.908 19.817 4.47645 127.7 10.3 10.4 5.6
2 1 -1 1 10.141 20.282 4.37473 42.0 3.4 3.4 5.6
3 1 2 0 10.736 21.472 4.13498 286.5 23.1 23.3 5.6
4 2 0 0 10.808 21.617 4.10759 64.8 5.2 5.3 5.6
5 1 2 2 11.84 23.68 3.75411 164.1 13.2 13.3 5.6
6 2 2 0 13.158 26.316 3.38375 926.2 74.8 75.1 5.6
7 1 -2 0 13.337 26.674 3.33917 68.5 5.5 5.6 5.6
8 2 1 -1 13.859 27.718 3.21574 48.7 3.9 3.9 5.6
9 3 1 1 14.69 29.381 3.03743 936.5 75.6 75.7 5.6
10 -2 1 1 14.959 29.919 2.98404 368.3 29.7 29.8 5.6
11 1 2 3 15.584 31.168 2.8672 1238.9 100.0 100.0 5.6
12 1 3 0 15.788 31.577 2.83101 906.8 73.2 73.2 5.6
13 3 2 2 15.939 31.877 2.80503 73.1 5.9 5.9 5.6
14 -1 2 2 16.337 32.674 2.7384 382.4 30.9 30.8 5.6
15 3 2 0 17.106 34.213 2.6187 534.8 43.2 43.1 5.7
16 2 -2 0 17.341 34.683 2.58426 103.8 8.4 8.4 5.7
17 1 2 -2 18.208 36.416 2.46516 745.8 60.2 59.9 5.7
18 3 1 -1 18.562 37.124 2.41975 197.0 15.9 15.8 5.7
19 1 -3 0 18.606 37.212 2.41422 213.8 17.3 17.2 5.7
20 3 3 3 19.59 39.18 2.29738 32.9 2.7 2.6 5.7
21 3 2 -1 20.131 40.262 2.23808 672.2 54.3 53.8 5.7
22 4 2 1 20.253 40.506 2.22518 37.7 3.0 3.0 5.7
23 4 1 0 21.215 42.429 2.12866 852.5 68.8 68.1 5.7
24 2 3 4 21.526 43.051 2.09933 66.7 5.4 5.3 5.7
25 4 3 1 22.026 44.053 2.05391 32.3 2.6 2.6 5.7
26 4 3 3 22.479 44.958 2.01461 50.9 4.1 4.1 5.7
27 -3 2 1 23.223 46.445 1.95351 86.0 6.9 6.8 5.7
28 4 -1 1 23.802 47.604 1.90863 146.8 11.9 11.7 5.7
29 3 4 0 23.909 47.817 1.90061 177.3 14.3 14.1 5.7
30 1 -4 0 24.195 48.389 1.87948 52.6 4.2 4.2 5.7
31 2 4 4 24.228 48.456 1.87705 35.0 2.8 2.8 5.7
32 4 2 -1 24.757 49.513 1.8394 233.3 18.8 18.5 5.7
33 5 2 1 25.48 50.96 1.79052 679.5 54.9 53.7 5.8
34 -3 2 2 25.584 51.168 1.78375 18.7 1.5 1.5 5.8
35 -4 1 1 25.889 51.778 1.76416 124.8 10.1 9.9 5.8
36 4 4 4 26.554 53.109 1.72304 42.8 3.5 3.4 5.8
37 5 1 0 26.953 53.905 1.69944 326.5 26.4 25.7 5.8
38 -2 3 3 27.084 54.168 1.69181 63.5 5.1 5.0 5.8
39 1 -3 3 27.182 54.365 1.68616 71.6 5.8 5.6 5.8
40 5 0 0 27.957 55.915 1.64304 159.4 12.9 12.5 5.8
41 3 4 5 28.115 56.229 1.6346 30.9 2.5 2.4 5.8
42 4 2 -2 28.625 57.249 1.60787 132.5 10.7 10.4 5.8
43 -4 2 1 28.719 57.439 1.60301 13.8 1.1 1.1 5.8
44 1 4 5 29.0 57.999 1.58885 861.8 69.6 67.5 5.8
45 5 1 -1 29.468 58.935 1.56582 123.2 9.9 9.6 5.8
46 -1 2 5 29.991 59.982 1.54099 125.4 10.1 9.8 5.8
47 1 -5 0 30.114 60.227 1.53529 98.2 7.9 7.7 5.8
48 6 2 2 30.477 60.954 1.51871 28.5 2.3 2.2 5.8
49 4 3 -2 30.931 61.863 1.49856 394.9 31.9 30.8 5.8
50 6 2 1 31.17 62.341 1.48822 16.6 1.3 1.3 5.8
51 5 3 -1 31.648 63.296 1.46805 20.3 1.6 1.6 5.9
52 -5 1 1 31.886 63.771 1.45824 62.6 5.1 4.9 5.9
53 4 -3 1 31.915 63.83 1.45703 30.0 2.4 2.3 5.9
54 3 4 6 32.353 64.707 1.4394 69.8 5.6 5.4 5.9
55 1 3 -4 32.503 65.006 1.43349 901.8 72.8 69.9 5.9
56 1 -2 5 32.969 65.938 1.41547 74.1 6.0 5.7 5.9
57 6 4 4 33.313 66.626 1.40251 103.2 8.3 8.0 5.9
58 5 2 -2 33.748 67.497 1.38653 76.8 6.2 5.9 5.9
59 6 3 0 33.976 67.953 1.37833 18.3 1.5 1.4 5.9
60 -2 4 4 34.234 68.468 1.3692 133.4 10.8 10.3 5.9
61 6 5 3 34.686 69.371 1.35356 64.8 5.2 5.0 5.9
62 2 5 6 35.11 70.22 1.33927 88.0 7.1 6.8 5.9
63 4 5 6 35.334 70.668 1.33188 71.2 5.7 5.5 5.9
64 -2 3 5 35.59 71.18 1.32354 18.1 1.5 1.4 5.9
65 -1 2 6 35.786 71.571 1.31727 22.2 1.8 1.7 5.9
66 6 4 0 36.036 72.072 1.30935 24.6 2.0 1.9 5.9
67 1 -6 0 36.454 72.909 1.29637 23.3 1.9 1.8 6.0
68 4 -4 0 36.593 73.187 1.29213 38.9 3.1 3.0 6.0
69 1 2 7 37.364 74.728 1.26925 31.7 2.6 2.4 6.0
70 7 4 4 37.992 75.984 1.25137 21.4 1.7 1.6 6.0
71 4 6 6 38.346 76.692 1.24157 39.5 3.2 3.0 6.0
72 1 3 -5 38.432 76.865 1.23921 68.7 5.5 5.2 6.0
73 2 4 -4 38.677 77.354 1.23258 16.0 1.3 1.2 6.0
74 -3 4 4 39.084 78.167 1.22178 48.7 3.9 3.7 6.0
75 7 2 0 39.299 78.598 1.21616 66.8 5.4 5.0 6.0
76 6 2 -2 39.543 79.087 1.20987 39.9 3.2 3.0 6.0
77 4 5 7 39.647 79.294 1.20723 65.5 5.3 4.9 6.0
78 7 5 2 39.972 79.943 1.19905 50.2 4.1 3.8 6.0
79 5 -3 3 40.378 80.757 1.18901 41.5 3.3 3.1 6.1
80 3 -4 4 41.236 82.472 1.16857 14.9 1.2 1.1 6.1
81 1 5 7 41.661 83.321 1.15881 28.4 2.3 2.1 6.1
82 6 6 6 42.111 84.223 1.14869 65.5 5.3 4.9 6.1
83 7 2 -1 42.223 84.445 1.14623 40.3 3.3 3.0 6.1
84 7 1 -1 42.303 84.606 1.14446 24.9 2.0 1.9 6.1
85 -1 5 6 42.541 85.083 1.13926 55.2 4.5 4.1 6.1
86 8 2 2 43.072 86.145 1.12792 21.1 1.7 1.6 6.1
87 7 3 -1 43.153 86.307 1.12622 44.7 3.6 3.3 6.1
88 7 -1 0 43.393 86.786 1.12122 44.6 3.6 3.3 6.1
89 6 -3 1 43.5 86.999 1.11902 115.4 9.3 8.5 6.1
90 -6 2 2 43.818 87.637 1.11252 20.0 1.6 1.5 6.2
91 6 -3 2 44.216 88.432 1.10456 40.9 3.3 3.0 6.2
92 7 5 0 44.346 88.693 1.10198 37.6 3.0 2.8 6.2
93 4 -4 4 44.773 89.546 1.09368 40.0 3.2 2.9 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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