Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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CARDITE
1, DN
Zn(5.5)[AsO(4)](2)[AsO(3)OH)](OH)(3).3H(2)O
Orthorhombic C mcm Z = 4
R =0.0668 NR =1084
30 .5 .24
Ref.Str.:
P. Elliott (2021) * Mineral. and Petrol., 115(4), 467-475
https://doi.org/10.1007/s00710-021-00750-2
L: $Zn4.75 Cd0.50 Co0.15 Mn0.07 Fe0.01 O17.97
As3.01 S0.02 H9.85$
R: Locality - Broken Hill, New South Wales, Australia.
IMA2015-125. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.11 alpha = 90.0
b = 15.492 beta = 90.0
c = 6.385 gamma = 90.0
Unit cell volume (cub. angs.) = 1494.63
Molar volume ( cub.cm/mol.) = 225.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.25 0.5 0.0 Zn = 0.81, Co = 0.14, Mn = 0.05
2 0.112 0.367 0.25 0.0 Zn = 0.88, Cd = 0.12
3 0.0 0.5 0.5 0.0 Zn = 0.38, Cd = 0.12
4 0.3586 0.5 0.5 0.0 Zn = 0.49, Zn = 0.0
5 0.4275 0.3383 0.25 0.0 As = 0.49, S = 0.01
6 0.1903 0.4303 0.75 0.0 As = 1.00
7 0.5 0.2635 0.75 0.0 O = 1.00
8 0.3272 0.3012 0.25 0.0 O = 1.00
9 0.4371 0.4033 0.461 0.0 O = 0.76, O = 0.0
10 0.193 0.3711 0.5313 0.0 O = 1.00
11 0.1004 0.4968 0.75 0.0 O = 1.00
12 0.285 0.4917 0.75 0.0 O = 1.00
13 0.162 0.2433 0.25 0.0 OH = 1.00
14 0.0 0.6307 0.541 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.25 0.5
2 2 0.112 0.367 0.25
3 3 0.0 0.5 0.5
4 4 0.3586 0.5 0.5
5 5 0.4275 0.3383 0.25
6 6 0.1903 0.4303 0.75
7 7 0.5 0.2635 0.75
8 8 0.3272 0.3012 0.25
9 9 0.4371 0.4033 0.461
10 10 0.193 0.3711 0.5313
11 11 0.1004 0.4968 0.75
12 12 0.285 0.4917 0.75
13 13 0.162 0.2433 0.25
14 14 0.0 0.6307 0.541
15 1 0.75 0.75 0.0
16 2 0.888 0.633 0.75
17 3 0.0 0.5 0.0
18 4 0.6414 0.5 0.0
19 5 0.5725 0.6617 0.75
20 6 0.8097 0.5697 0.25
21 7 0.5 0.7365 0.25
22 8 0.6728 0.6988 0.75
23 9 0.5629 0.5967 0.961
24 10 0.807 0.6289 0.0313
25 11 0.8996 0.5032 0.25
26 12 0.715 0.5083 0.25
27 13 0.838 0.7567 0.75
28 14 0.0 0.3693 0.041
29 1 0.75 0.25 0.5
30 2 0.888 0.367 0.25
31 4 0.6414 0.5 0.5
32 5 0.5725 0.3383 0.25
33 6 0.8097 0.4303 0.75
34 8 0.6728 0.3012 0.25
35 9 0.5629 0.4033 0.461
36 10 0.807 0.3711 0.5313
37 11 0.8996 0.4968 0.75
38 12 0.715 0.4917 0.75
39 13 0.838 0.2433 0.25
40 1 0.25 0.75 0.0
41 2 0.112 0.633 0.75
42 4 0.3586 0.5 0.0
43 5 0.4275 0.6617 0.75
44 6 0.1903 0.5697 0.25
45 8 0.3272 0.6988 0.75
46 9 0.4371 0.5967 0.961
47 10 0.193 0.6289 0.0313
48 11 0.1004 0.5032 0.25
49 12 0.285 0.5083 0.25
50 13 0.162 0.7567 0.75
51 1 0.25 0.25 0.0
52 9 0.4371 0.4033 0.039
53 10 0.193 0.3711 0.9687
54 14 0.0 0.6307 0.959
55 1 0.75 0.75 0.5
56 9 0.5629 0.5967 0.539
57 10 0.807 0.6289 0.4687
58 14 0.0 0.3693 0.459
59 1 0.75 0.25 0.0
60 9 0.5629 0.4033 0.039
61 10 0.807 0.3711 0.9687
62 1 0.25 0.75 0.5
63 9 0.4371 0.5967 0.539
64 10 0.193 0.6289 0.4687
65 2 0.388 0.133 0.75
66 3 0.5 0.0 0.0
67 4 0.1414 0.0 0.0
68 5 0.0725 0.1617 0.75
69 6 0.3097 0.0697 0.25
70 7 0.0 0.2365 0.25
71 8 0.1728 0.1988 0.75
72 9 0.0629 0.0967 0.961
73 10 0.307 0.1289 0.0313
74 11 0.3996 0.0032 0.25
75 12 0.215 0.0083 0.25
76 13 0.338 0.2567 0.75
77 14 0.5 0.8693 0.041
78 2 0.612 0.867 0.25
79 3 0.5 0.0 0.5
80 4 0.8586 0.0 0.5
81 5 0.9275 0.8383 0.25
82 6 0.6903 0.9303 0.75
83 7 0.0 0.7635 0.75
84 8 0.8272 0.8012 0.25
85 9 0.9371 0.9033 0.461
86 10 0.693 0.8711 0.5313
87 11 0.6004 0.9968 0.75
88 12 0.785 0.9917 0.75
89 13 0.662 0.7433 0.25
90 14 0.5 0.1307 0.541
91 2 0.612 0.133 0.75
92 4 0.8586 0.0 0.0
93 5 0.9275 0.1617 0.75
94 6 0.6903 0.0697 0.25
95 8 0.8272 0.1988 0.75
96 9 0.9371 0.0967 0.961
97 10 0.693 0.1289 0.0313
98 11 0.6004 0.0032 0.25
99 12 0.785 0.0083 0.25
100 13 0.662 0.2567 0.75
101 2 0.388 0.867 0.25
102 4 0.1414 0.0 0.5
103 5 0.0725 0.8383 0.25
104 6 0.3097 0.9303 0.75
105 8 0.1728 0.8012 0.25
106 9 0.0629 0.9033 0.461
107 10 0.307 0.8711 0.5313
108 11 0.3996 0.9968 0.75
109 12 0.215 0.9917 0.75
110 13 0.338 0.7433 0.25
111 9 0.0629 0.0967 0.539
112 10 0.307 0.1289 0.4687
113 14 0.5 0.8693 0.459
114 9 0.9371 0.9033 0.039
115 10 0.693 0.8711 0.9687
116 14 0.5 0.1307 0.959
117 9 0.9371 0.0967 0.539
118 10 0.693 0.1289 0.4687
119 9 0.0629 0.9033 0.039
120 10 0.307 0.8711 0.9687
X-ray density (g/cm cub.) = 3.96
MU (1/cm) = 215.89 Mass attenuation coefficient (cm**2/g) = 54.544
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn ,Co ,Mn 2.892 6
2.1302 8
2.074 10
2.0801 13
2.1302 8
2.0801 13
2.074 10
2 Zn ,Cd 2.988 7
2.1747 10
2.06 13
2.155 14
2.1174 11
2.1747 10
2.155 14
2.636 7
3 Zn ,Cd 2.988 6
2.2027 11
2.0417 14
2.2027 11
2.2027 11
2.2027 11
2.0417 14
4 Zn ,Zn 2.796 4
1.927 9
1.9497 12
1.9497 12
1.927 9
5 As ,S 2.628 3
1.6212 8
1.6878 9
1.6878 9
6 As 2.628 4
1.6712 10
1.7044 11
1.7185 12
1.6712 10
7 O 3.432 8
2.9998 9
2.9998 9
2.9998 9
2.9998 9
2.4501 13
2.4522 14
2.4501 13
2.4522 14
8 O 3.432 10
2.6598 9
2.9173 10
2.6524 13
3.2711 12
2.6598 9
2.9173 10
3.0279 10
3.2702 13
3.2702 13
3.0279 10
9 O ,O 3.432 9
2.9998 7
2.6598 8
3.25 12
1.9008 9
3.1214 12
2.6945 9
3.2975 9
3.0373 9
3.2871 13
10 O 3.432 10
2.9173 8
2.7749 11
2.7153 12
2.7139 13
3.0613 11
3.1107 12
2.7928 10
2.9527 14
3.0279 8
3.145 13
11 O 3.432 12
2.7749 10
2.7904 12
2.8957 14
3.1073 14
3.0341 11
3.0613 10
3.194 11
3.194 11
2.7749 10
2.8957 14
3.1073 14
3.0613 10
12 O 3.432 12
3.25 9
2.7153 10
2.7904 11
3.2711 8
3.1214 9
3.1107 10
3.2028 12
3.2028 12
3.25 9
2.7153 10
3.1214 9
3.1107 10
13 OH 3.48 12
2.6524 8
2.7139 10
3.4034 14
2.7139 10
3.4034 14
2.4501 7
3.2702 8
3.2702 8
3.2871 9
3.145 10
3.2871 9
3.145 10
14 H(2)O 3.6 10
2.8957 11
3.1073 11
3.4034 13
2.8957 11
3.1073 11
3.4034 13
2.6689 14
2.9527 10
2.9527 10
2.4522 7
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 1 1 0 4.743 9.487 0.046 289.51 4 173.7 1564.6
2 0 2 0 6.631 13.262 0.065 147.03 2 39.5 20.6
3 2 0 0 6.799 13.599 0.066 139.72 2 285.5 1019.4
4 1 1 1 9.362 18.724 0.091 72.65 8 33.1 28.5
5 2 2 0 9.519 19.039 0.092 70.2 4 120.1 181.3
6 0 2 1 10.46 20.92 0.101 57.77 4 187.7 364.3
7 1 3 0 10.547 21.095 0.102 56.78 4 9.8 1.0
8 3 1 0 10.763 21.525 0.104 54.45 4 155.2 234.8
9 2 2 1 12.518 25.035 0.121 39.71 8 262.1 976.7
10 1 3 1 13.327 26.653 0.129 34.79 8 43.6 23.7
11 0 4 0 13.353 26.706 0.129 34.65 2 15.5 0.7
12 3 1 1 13.5 27.0 0.13 33.85 8 23.8 6.8
13 4 0 0 13.697 27.394 0.132 32.83 2 22.6 1.5
14 3 3 0 14.363 28.727 0.139 29.67 4 226.6 272.7
15 2 4 0 15.042 30.084 0.145 26.88 4 266.3 341.4
16 4 2 0 15.274 30.549 0.147 26.01 4 187.8 164.3
17 0 4 1 15.671 31.342 0.151 24.62 4 390.8 673.2
18 0 0 2 16.271 32.541 0.157 22.7 2 217.5 96.1
19 3 3 1 16.553 33.105 0.159 21.87 8 131.1 134.6
20 1 1 2 16.985 33.97 0.163 20.68 8 156.5 181.5
21 1 5 0 17.139 34.278 0.165 20.28 4 161.8 95.0
22 2 4 1 17.153 34.306 0.165 20.24 8 143.5 149.2
23 4 2 1 17.36 34.72 0.167 19.72 8 246.4 428.9
24 5 1 0 17.551 35.103 0.169 19.25 4 193.9 129.6
25 0 2 2 17.64 35.28 0.169 19.04 4 80.3 22.0
26 2 0 2 17.708 35.416 0.17 18.88 4 25.7 2.2
27 2 2 2 18.986 37.973 0.182 16.2 8 389.2 878.9
28 1 5 1 19.044 38.088 0.182 16.09 8 76.3 33.5
29 4 4 0 19.315 38.63 0.185 15.6 4 293.3 240.2
30 5 1 1 19.421 38.843 0.186 15.41 8 160.8 142.6
31 1 3 2 19.553 39.105 0.187 15.18 8 83.2 37.6
32 3 1 2 19.676 39.352 0.188 14.97 8 329.2 581.1
33 3 5 0 19.812 39.624 0.189 14.74 4 410.7 445.3
34 5 3 0 20.056 40.112 0.192 14.35 4 58.9 8.9
35 0 6 0 20.269 40.537 0.194 14.01 2 54.2 3.7
36 6 0 0 20.804 41.609 0.199 13.22 2 30.5 1.1
37 4 4 1 21.051 42.103 0.201 12.88 8 59.6 16.4
38 0 4 2 21.29 42.58 0.203 12.55 4 309.6 215.5
39 2 6 0 21.475 42.95 0.205 12.31 4 352.1 273.3
40 3 5 1 21.515 43.03 0.205 12.26 8 211.9 197.1
41 4 0 2 21.52 43.041 0.205 12.26 4 439.8 424.5
42 5 3 1 21.743 43.487 0.207 11.97 8 308.6 408.5
43 6 2 0 21.93 43.861 0.209 11.75 4 263.6 146.1
44 0 6 1 21.942 43.885 0.209 11.73 4 318.3 212.9
45 3 3 2 21.976 43.952 0.209 11.69 8 132.7 73.8
46 2 4 2 22.452 44.904 0.213 11.14 8 83.5 27.8
47 4 2 2 22.618 45.235 0.215 10.96 8 267.3 280.4
48 2 6 1 23.078 46.156 0.219 10.47 8 15.7 0.9
49 6 2 1 23.509 47.017 0.223 10.04 8 263.6 249.9
50 1 5 2 23.993 47.986 0.227 9.59 8 169.8 99.0
51 1 7 0 24.109 48.218 0.228 9.48 4 141.8 34.1
52 5 1 2 24.307 48.614 0.23 9.31 8 175.5 102.7
53 5 5 0 24.422 48.844 0.231 9.21 4 127.4 26.8
54 7 1 0 24.732 49.465 0.234 8.95 4 17.5 0.5
55 4 6 0 24.81 49.62 0.235 8.88 4 297.2 140.5
56 6 4 0 25.066 50.132 0.237 8.68 4 26.6 1.1
57 1 1 3 25.361 50.722 0.239 8.45 8 40.6 5.0
58 1 7 1 25.583 51.167 0.241 8.28 8 171.8 87.5
59 4 4 2 25.688 51.377 0.242 8.21 8 73.9 16.0
60 0 2 3 25.839 51.677 0.244 8.1 4 119.8 20.8
61 5 5 1 25.883 51.767 0.244 8.07 8 5.8 0.1
62 3 5 2 26.088 52.175 0.246 7.92 8 26.2 2.0
63 7 1 1 26.181 52.362 0.247 7.86 8 208.9 122.9
64 3 7 0 26.197 52.393 0.247 7.85 4 170.3 40.7
65 4 6 1 26.256 52.512 0.247 7.81 8 144.8 58.6
66 5 3 2 26.285 52.57 0.248 7.79 8 93.8 24.6
67 0 6 2 26.458 52.916 0.249 7.67 4 79.0 8.6
68 6 4 1 26.502 53.003 0.249 7.64 8 58.2 9.3
69 7 3 0 26.687 53.375 0.251 7.52 4 155.5 32.6
70 2 2 3 26.848 53.697 0.252 7.42 8 97.3 25.2
71 6 0 2 26.897 53.793 0.253 7.39 4 33.8 1.5
72 1 3 3 27.284 54.567 0.256 7.15 8 8.7 0.2
73 3 1 3 27.38 54.759 0.257 7.1 8 37.1 3.5
74 2 6 2 27.452 54.904 0.258 7.06 8 12.5 0.4
75 0 8 0 27.509 55.019 0.258 7.02 2 486.4 148.7
76 3 7 1 27.59 55.181 0.259 6.97 8 69.5 12.0
77 6 2 2 27.833 55.665 0.261 6.84 8 252.8 156.5
78 7 3 1 28.064 56.129 0.263 6.71 8 105.3 26.7
79 8 0 0 28.266 56.533 0.265 6.6 2 52.6 1.6
80 2 8 0 28.478 56.957 0.267 6.49 4 10.4 0.1
81 0 4 3 28.655 57.311 0.268 6.4 4 357.0 146.1
82 0 8 1 28.86 57.72 0.27 6.3 4 200.7 45.4
83 8 2 0 29.173 58.346 0.272 6.15 4 158.4 27.6
84 3 3 3 29.21 58.421 0.273 6.13 8 76.4 12.8
85 2 4 3 29.6 59.199 0.276 5.95 8 101.9 22.1
86 1 7 2 29.691 59.382 0.277 5.91 8 8.7 0.2
87 4 2 3 29.736 59.472 0.277 5.89 8 233.4 114.9
88 6 6 0 29.745 59.491 0.277 5.88 4 26.1 0.7
89 2 8 1 29.8 59.601 0.278 5.86 8 41.2 3.6
90 5 5 2 29.963 59.926 0.279 5.79 8 89.7 16.7
91 5 7 0 30.063 60.126 0.28 5.75 4 176.8 32.2
92 7 1 2 30.234 60.467 0.281 5.67 8 15.3 0.5
93 4 6 2 30.302 60.603 0.282 5.65 8 93.3 17.6
94 7 5 0 30.333 60.665 0.282 5.63 4 8.5 0.1
95 8 2 1 30.476 60.952 0.284 5.57 8 206.2 84.8
96 6 4 2 30.526 61.051 0.284 5.55 8 244.6 119.0
97 1 5 3 30.883 61.766 0.287 5.41 8 52.7 5.4
98 6 6 1 31.034 62.068 0.288 5.35 8 63.5 7.7
99 5 1 3 31.149 62.298 0.289 5.31 8 137.3 35.8
100 4 8 0 31.269 62.537 0.29 5.27 4 10.7 0.1
101 5 7 1 31.343 62.687 0.291 5.24 8 74.9 10.5
102 3 7 2 31.524 63.048 0.292 5.17 8 57.8 6.2
103 1 9 0 31.533 63.066 0.292 5.17 4 65.8 4.0
104 7 5 1 31.607 63.214 0.293 5.14 8 25.8 1.2
105 8 4 0 31.795 63.59 0.295 5.08 4 280.2 71.4
106 7 3 2 31.961 63.923 0.296 5.02 8 67.1 8.1
107 4 4 3 32.331 64.663 0.299 4.9 8 53.4 5.0
108 9 1 0 32.404 64.808 0.3 4.87 4 229.6 46.0
109 4 8 1 32.522 65.044 0.301 4.83 8 74.9 9.7
110 3 5 3 32.677 65.354 0.302 4.78 8 251.7 108.6
111 0 8 2 32.699 65.398 0.302 4.78 4 333.7 95.2
112 1 9 1 32.781 65.562 0.303 4.75 8 205.2 71.7
113 5 3 3 32.849 65.698 0.303 4.73 8 271.9 125.2
114 0 6 3 33.0 66.0 0.304 4.68 4 271.4 61.8
115 8 4 1 33.038 66.075 0.305 4.67 8 227.4 86.5
116 3 9 0 33.308 66.616 0.307 4.59 4 207.2 35.3
117 8 0 2 33.384 66.768 0.308 4.57 4 317.3 82.4
118 2 8 2 33.576 67.153 0.309 4.52 8 272.0 119.6
119 9 1 1 33.635 67.269 0.31 4.5 8 218.1 76.7
120 2 6 3 33.873 67.746 0.312 4.43 8 72.4 8.3
121 9 3 0 34.071 68.142 0.313 4.38 4 201.7 31.9
122 0 0 4 34.08 68.16 0.313 4.38 2 951.7 354.9
123 8 2 2 34.21 68.42 0.314 4.34 8 6.0 0.1
124 6 2 3 34.21 68.421 0.314 4.34 8 206.7 66.5
125 1 1 4 34.501 69.002 0.317 4.27 8 115.6 20.4
126 3 9 1 34.522 69.045 0.317 4.26 8 239.0 87.2
127 6 6 2 34.735 69.471 0.319 4.21 8 547.8 452.4
128 0 2 4 34.899 69.797 0.32 4.17 4 23.3 0.4
129 2 0 4 34.94 69.88 0.32 4.16 4 205.7 31.5
130 5 7 2 35.028 70.056 0.321 4.14 8 430.6 274.8
131 0 10 0 35.266 70.531 0.323 4.08 2 166.9 10.2
132 9 3 1 35.273 70.545 0.323 4.08 8 162.3 38.5
133 7 5 2 35.277 70.554 0.323 4.08 8 130.2 24.7
134 7 7 0 35.369 70.737 0.324 4.06 4 163.0 19.3
135 6 8 0 35.638 71.277 0.326 4.0 4 178.3 22.7
136 2 2 4 35.75 71.5 0.327 3.97 8 75.4 8.1
137 1 7 3 35.878 71.756 0.328 3.95 8 175.0 43.3
138 8 6 0 35.927 71.854 0.328 3.93 4 91.0 5.8
139 2 10 0 36.113 72.226 0.329 3.9 4 173.8 21.1
140 1 3 4 36.121 72.242 0.33 3.89 8 3.2 0.0
141 5 5 3 36.125 72.25 0.33 3.89 8 27.1 1.0
142 4 8 2 36.146 72.292 0.33 3.89 8 314.8 138.0
143 3 1 4 36.203 72.406 0.33 3.88 8 100.9 14.1
144 10 0 0 36.297 72.593 0.331 3.86 2 167.7 9.7
145 7 1 3 36.371 72.742 0.331 3.84 8 116.4 18.6
146 1 9 2 36.392 72.785 0.332 3.84 8 76.9 8.1
147 4 6 3 36.433 72.866 0.332 3.83 8 150.3 31.0
148 0 10 1 36.45 72.9 0.332 3.83 4 202.2 28.0
149 7 7 1 36.552 73.103 0.333 3.81 8 7.0 0.1
150 8 4 2 36.637 73.274 0.334 3.79 8 355.6 171.6
151 6 4 3 36.637 73.275 0.334 3.79 8 28.1 1.1
152 5 9 0 36.728 73.456 0.334 3.77 4 169.5 19.4
153 6 8 1 36.818 73.635 0.335 3.75 8 49.5 3.3
154 10 2 0 37.094 74.188 0.337 3.7 4 254.7 43.0
155 8 6 1 37.103 74.205 0.337 3.7 8 65.8 5.7
156 9 1 2 37.208 74.416 0.338 3.68 8 8.2 0.1
157 2 10 1 37.287 74.573 0.339 3.67 8 109.6 15.8
158 9 5 0 37.298 74.595 0.339 3.67 4 17.0 0.2
159 0 4 4 37.306 74.613 0.339 3.66 4 58.4 2.2
160 4 0 4 37.469 74.937 0.34 3.63 4 40.1 1.0
161 3 7 3 37.554 75.108 0.341 3.62 8 80.0 8.3
162 3 3 4 37.793 75.586 0.343 3.58 8 160.3 32.9
163 5 9 1 37.894 75.788 0.343 3.56 8 36.0 1.7
164 7 3 3 37.958 75.916 0.344 3.55 8 26.7 0.9
165 3 9 2 38.06 76.12 0.345 3.53 8 23.0 0.7
166 2 4 4 38.136 76.272 0.345 3.52 8 172.3 37.4
167 10 2 1 38.256 76.512 0.346 3.5 8 14.8 0.3
168 4 2 4 38.257 76.514 0.346 3.5 8 135.9 23.2
169 9 5 1 38.458 76.916 0.348 3.47 8 169.9 35.9
170 4 10 0 38.612 77.223 0.349 3.45 4 108.8 7.3
171 0 8 3 38.644 77.287 0.349 3.44 4 220.9 30.1
172 9 3 2 38.783 77.566 0.35 3.42 8 243.4 72.6
173 1 5 4 39.28 78.561 0.354 3.35 8 129.2 20.0
174 10 4 0 39.451 78.902 0.355 3.33 4 318.3 60.4
175 2 8 3 39.464 78.929 0.355 3.32 8 47.1 2.6
176 5 1 4 39.52 79.039 0.356 3.32 8 119.8 17.0
177 1 11 0 39.632 79.265 0.357 3.3 4 178.4 18.8
178 4 10 1 39.76 79.519 0.358 3.29 8 111.0 14.5
179 0 10 2 39.923 79.846 0.359 3.26 4 137.3 11.0
180 7 7 2 40.022 80.043 0.359 3.25 8 253.5 74.8
181 8 2 3 40.061 80.122 0.36 3.25 8 153.7 27.5
182 6 8 2 40.28 80.561 0.361 3.22 8 147.9 25.2
183 8 6 2 40.558 81.115 0.363 3.19 8 125.1 17.9
184 6 6 3 40.558 81.116 0.363 3.19 8 43.2 2.1
185 10 4 1 40.593 81.186 0.364 3.18 8 152.2 26.4
186 4 4 4 40.594 81.187 0.364 3.18 8 248.4 70.3
187 2 10 2 40.737 81.474 0.365 3.17 8 232.6 61.4
188 1 11 1 40.773 81.546 0.365 3.16 8 124.6 17.6
189 11 1 0 40.822 81.645 0.365 3.16 4 322.6 58.8
190 5 7 3 40.835 81.671 0.366 3.16 8 72.4 5.9
191 3 5 4 40.911 81.821 0.366 3.15 8 284.1 91.0
192 10 0 2 40.914 81.827 0.366 3.15 4 391.2 86.2
193 5 3 4 41.069 82.137 0.367 3.13 8 96.6 10.5
194 7 5 3 41.073 82.145 0.367 3.13 8 11.3 0.1
195 0 6 4 41.207 82.415 0.368 3.12 4 32.1 0.6
196 3 11 0 41.259 82.519 0.369 3.11 4 183.8 18.8
197 5 9 2 41.33 82.66 0.369 3.1 8 379.0 159.6
198 8 8 0 41.416 82.833 0.37 3.09 4 513.6 146.2
199 6 0 4 41.562 83.125 0.371 3.08 4 48.7 1.3
200 7 9 0 41.653 83.307 0.372 3.07 4 21.1 0.2
201 10 2 2 41.684 83.368 0.372 3.07 8 20.7 0.5
202 9 5 2 41.882 83.763 0.373 3.05 8 28.2 0.9
203 4 8 3 41.902 83.804 0.373 3.05 8 73.5 5.9
204 11 1 1 41.956 83.912 0.374 3.04 8 66.4 4.8
205 9 7 0 41.968 83.937 0.374 3.04 4 246.9 33.2
206 2 6 4 42.016 84.032 0.374 3.04 8 294.4 94.3
207 1 9 3 42.139 84.277 0.375 3.03 8 142.7 22.1
208 6 2 4 42.331 84.661 0.376 3.01 8 237.2 60.6
209 11 3 0 42.361 84.723 0.377 3.01 4 159.1 13.6
210 8 4 3 42.374 84.748 0.377 3.0 8 234.5 59.2
211 3 11 1 42.391 84.781 0.377 3.0 8 111.3 13.3
212 8 8 1 42.547 85.094 0.378 2.99 8 47.1 2.4
213 6 10 0 42.677 85.355 0.379 2.98 4 203.9 22.2
214 7 9 1 42.783 85.567 0.38 2.97 8 21.4 0.5
215 9 1 3 42.924 85.848 0.381 2.96 8 153.6 25.0
216 9 7 1 43.097 86.194 0.382 2.95 8 6.2 0.0
217 4 10 2 43.161 86.321 0.382 2.94 8 243.5 62.5
218 10 6 0 43.305 86.61 0.383 2.93 4 105.5 5.8
219 11 3 1 43.489 86.978 0.385 2.92 8 128.5 17.3
220 3 9 3 43.749 87.498 0.387 2.9 8 270.1 75.8
221 6 10 1 43.804 87.608 0.387 2.9 8 69.0 4.9
222 0 12 0 43.856 87.711 0.387 2.89 2 282.9 20.7
223 1 7 4 43.902 87.804 0.388 2.89 8 60.5 3.8
224 10 4 2 43.983 87.967 0.388 2.89 8 108.0 12.1
225 5 5 4 44.137 88.274 0.389 2.88 8 44.3 2.0
226 1 11 2 44.161 88.322 0.389 2.87 8 28.3 0.8
227 7 1 4 44.372 88.743 0.391 2.86 8 12.6 0.2
228 10 6 1 44.43 88.86 0.391 2.86 8 174.9 31.3
229 4 6 4 44.431 88.862 0.391 2.86 8 232.3 55.2
230 9 3 3 44.454 88.907 0.391 2.86 8 96.8 9.6
231 5 11 0 44.482 88.965 0.392 2.86 4 136.1 9.5
232 6 4 4 44.627 89.253 0.393 2.85 8 36.8 1.4
233 2 12 0 44.659 89.318 0.393 2.85 4 121.8 7.6
234 1 1 5 44.854 89.708 0.394 2.84 8 3.5 0.0
235 0 12 1 44.98 89.961 0.395 2.83 4 47.2 1.1
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 4.743 9.487 10.81691 1564.6 100.0 100.0 5.6
2 0 2 0 6.631 13.262 7.746 20.6 1.3 1.3 5.6
3 2 0 0 6.799 13.599 7.555 1019.4 65.2 65.0 5.6
4 1 1 1 9.362 18.724 5.49853 28.5 1.8 1.8 5.6
5 2 2 0 9.519 19.039 5.40846 181.3 11.6 11.5 5.6
6 0 2 1 10.46 20.92 4.92692 364.3 23.3 23.1 5.6
7 3 1 0 10.763 21.525 4.78988 234.8 15.0 14.9 5.6
8 2 2 1 12.518 25.035 4.1269 976.7 62.4 61.8 5.6
9 1 3 1 13.327 26.653 3.8805 24.5 1.6 1.5 5.6
10 3 3 0 14.363 28.727 3.60564 272.7 17.4 17.2 5.6
11 2 4 0 15.042 30.084 3.44651 341.4 21.8 21.5 5.6
12 4 2 0 15.274 30.549 3.39528 164.3 10.5 10.4 5.6
13 0 4 1 15.671 31.342 3.31142 673.2 43.0 42.4 5.6
14 0 0 2 16.271 32.541 3.1925 96.1 6.1 6.0 5.6
15 3 3 1 16.553 33.105 3.13962 134.6 8.6 8.5 5.6
16 1 1 2 16.985 33.97 3.06193 181.5 11.6 11.4 5.7
17 2 4 1 17.153 34.306 3.03288 244.2 15.6 15.3 5.7
18 4 2 1 17.36 34.72 2.99779 428.9 27.4 26.9 5.7
19 5 1 0 17.551 35.103 2.96609 129.6 8.3 8.1 5.7
20 0 2 2 17.64 35.28 2.95164 22.0 1.4 1.4 5.7
21 2 2 2 18.986 37.973 2.74927 878.9 56.2 55.0 5.7
22 1 5 1 19.044 38.088 2.74127 33.5 2.1 2.1 5.7
23 4 4 0 19.315 38.63 2.70423 240.2 15.4 15.0 5.7
24 5 1 1 19.421 38.843 2.69001 142.6 9.1 8.9 5.7
25 1 3 2 19.553 39.105 2.67266 37.6 2.4 2.4 5.7
26 3 1 2 19.676 39.352 2.65651 581.1 37.1 36.3 5.7
27 3 5 0 19.812 39.624 2.63903 445.3 28.5 27.8 5.7
28 4 4 1 21.051 42.103 2.4901 16.4 1.0 1.0 5.7
29 0 4 2 21.29 42.58 2.46346 215.5 13.8 13.4 5.7
30 2 6 0 21.475 42.95 2.44325 273.3 17.5 17.0 5.7
31 4 0 2 21.52 43.041 2.43833 621.7 39.7 38.7 5.7
32 5 3 1 21.743 43.487 2.41453 408.5 26.1 25.4 5.7
33 0 6 1 21.942 43.885 2.39369 359.0 22.9 22.3 5.7
34 3 3 2 21.976 43.952 2.39022 73.8 4.7 4.6 5.7
35 2 4 2 22.452 44.904 2.3421 27.8 1.8 1.7 5.7
36 4 2 2 22.618 45.235 2.32582 280.4 17.9 17.4 5.7
37 6 2 1 23.509 47.017 2.24239 249.9 16.0 15.5 5.7
38 1 5 2 23.993 47.986 2.19973 99.0 6.3 6.1 5.7
39 1 7 0 24.109 48.218 2.18978 34.1 2.2 2.1 5.7
40 5 1 2 24.307 48.614 2.17298 102.7 6.6 6.4 5.7
41 5 5 0 24.422 48.844 2.16338 26.8 1.7 1.7 5.7
42 4 6 0 24.81 49.62 2.13163 140.5 9.0 8.7 5.7
43 1 7 1 25.583 51.167 2.07135 87.5 5.6 5.4 5.8
44 4 4 2 25.688 51.377 2.06345 16.0 1.0 1.0 5.8
45 0 2 3 25.839 51.677 2.05227 20.8 1.3 1.3 5.8
46 7 1 1 26.181 52.362 2.02729 163.6 10.5 10.1 5.8
47 4 6 1 26.256 52.512 2.02193 58.6 3.7 3.6 5.8
48 5 3 2 26.285 52.57 2.01983 24.6 1.6 1.5 5.8
49 7 3 0 26.687 53.375 1.99158 32.6 2.1 2.0 5.8
50 2 2 3 26.848 53.697 1.9805 25.2 1.6 1.5 5.8
51 0 8 0 27.509 55.019 1.9365 148.7 9.5 9.1 5.8
52 6 2 2 27.833 55.665 1.91579 156.5 10.0 9.6 5.8
53 7 3 1 28.064 56.129 1.90124 26.7 1.7 1.6 5.8
54 0 4 3 28.655 57.311 1.86525 146.1 9.3 8.9 5.8
55 0 8 1 28.86 57.72 1.85314 45.4 2.9 2.8 5.8
56 8 2 0 29.173 58.346 1.83499 27.6 1.8 1.7 5.8
57 2 4 3 29.6 59.199 1.81087 22.1 1.4 1.4 5.8
58 4 2 3 29.736 59.472 1.80332 115.6 7.4 7.1 5.8
59 5 5 2 29.963 59.926 1.79092 16.7 1.1 1.0 5.8
60 5 7 0 30.063 60.126 1.78553 32.2 2.1 2.0 5.8
61 4 6 2 30.302 60.603 1.77278 17.6 1.1 1.1 5.8
62 8 2 1 30.476 60.952 1.7636 84.8 5.4 5.2 5.8
63 6 4 2 30.526 61.051 1.76101 119.0 7.6 7.2 5.8
64 5 1 3 31.149 62.298 1.72922 35.8 2.3 2.2 5.8
65 8 4 0 31.795 63.59 1.69764 71.4 4.6 4.3 5.9
66 9 1 0 32.404 64.808 1.66912 46.0 2.9 2.8 5.9
67 3 5 3 32.677 65.354 1.6567 203.8 13.0 12.3 5.9
68 1 9 1 32.781 65.562 1.65203 71.7 4.6 4.3 5.9
69 5 3 3 32.849 65.698 1.64899 125.2 8.0 7.6 5.9
70 0 6 3 33.0 66.0 1.64231 61.8 4.0 3.7 5.9
71 8 4 1 33.038 66.075 1.64064 86.5 5.5 5.2 5.9
72 3 9 0 33.308 66.616 1.62884 35.3 2.3 2.1 5.9
73 8 0 2 33.384 66.768 1.62557 82.4 5.3 5.0 5.9
74 2 8 2 33.576 67.153 1.61733 119.6 7.6 7.2 5.9
75 9 1 1 33.635 67.269 1.61485 76.7 4.9 4.6 5.9
76 0 0 4 34.08 68.16 1.59625 386.8 24.7 23.3 5.9
77 6 2 3 34.21 68.421 1.5909 66.5 4.2 4.0 5.9
78 3 9 1 34.522 69.045 1.57829 107.6 6.9 6.5 5.9
79 6 6 2 34.735 69.471 1.56981 452.4 28.9 27.2 5.9
80 2 0 4 34.94 69.88 1.56177 31.5 2.0 1.9 5.9
81 5 7 2 35.028 70.056 1.55836 274.8 17.6 16.5 5.9
82 7 5 2 35.277 70.554 1.54876 73.4 4.7 4.4 5.9
83 7 7 0 35.369 70.737 1.54527 19.3 1.2 1.2 5.9
84 6 8 0 35.638 71.277 1.53512 22.7 1.5 1.4 5.9
85 1 7 3 35.878 71.756 1.52622 43.3 2.8 2.6 5.9
86 2 10 0 36.113 72.226 1.51762 22.1 1.4 1.3 5.9
87 4 8 2 36.146 72.292 1.51644 138.0 8.8 8.2 5.9
88 7 1 3 36.371 72.742 1.50834 26.8 1.7 1.6 6.0
89 4 6 3 36.433 72.866 1.50612 59.0 3.8 3.5 6.0
90 8 4 2 36.637 73.274 1.4989 172.6 11.0 10.3 6.0
91 5 9 0 36.728 73.456 1.49571 19.4 1.2 1.2 6.0
92 10 2 0 37.094 74.188 1.48305 48.7 3.1 2.9 6.0
93 2 10 1 37.287 74.573 1.47649 18.2 1.2 1.1 6.0
94 3 3 4 37.793 75.586 1.45961 32.9 2.1 2.0 6.0
95 2 4 4 38.136 76.272 1.44844 37.4 2.4 2.2 6.0
96 4 2 4 38.257 76.514 1.44457 23.2 1.5 1.4 6.0
97 9 5 1 38.458 76.916 1.43818 35.9 2.3 2.1 6.0
98 0 8 3 38.644 77.287 1.43234 30.1 1.9 1.8 6.0
99 9 3 2 38.783 77.566 1.428 72.6 4.6 4.3 6.0
100 1 5 4 39.28 78.561 1.41279 20.0 1.3 1.2 6.0
101 10 4 0 39.451 78.902 1.40766 63.0 4.0 3.7 6.0
102 5 1 4 39.52 79.039 1.40563 17.0 1.1 1.0 6.0
103 1 11 0 39.632 79.265 1.40229 18.8 1.2 1.1 6.0
104 7 7 2 40.022 80.043 1.3909 74.8 4.8 4.4 6.0
105 8 2 3 40.061 80.122 1.38977 27.5 1.8 1.6 6.0
106 6 8 2 40.28 80.561 1.38348 25.2 1.6 1.5 6.1
107 8 6 2 40.558 81.115 1.37564 20.0 1.3 1.2 6.1
108 4 4 4 40.594 81.187 1.37463 96.7 6.2 5.7 6.1
109 2 10 2 40.737 81.474 1.37064 61.4 3.9 3.6 6.1
110 1 11 1 40.773 81.546 1.36964 17.6 1.1 1.0 6.1
111 11 1 0 40.822 81.645 1.36827 64.8 4.1 3.8 6.1
112 3 5 4 40.911 81.821 1.36583 177.2 11.3 10.4 6.1
113 3 11 0 41.259 82.519 1.35634 18.8 1.2 1.1 6.1
114 5 9 2 41.33 82.66 1.35443 159.6 10.2 9.3 6.1
115 8 8 0 41.416 82.833 1.35211 146.2 9.3 8.5 6.1
116 9 7 0 41.968 83.937 1.33757 38.0 2.4 2.2 6.1
117 2 6 4 42.016 84.032 1.33633 94.3 6.0 5.5 6.1
118 1 9 3 42.139 84.277 1.33317 22.1 1.4 1.3 6.1
119 6 2 4 42.331 84.661 1.32826 60.6 3.9 3.5 6.1
120 8 4 3 42.374 84.748 1.32716 86.1 5.5 5.0 6.1
121 6 10 0 42.677 85.355 1.31952 22.2 1.4 1.3 6.1
122 9 1 3 42.924 85.848 1.3134 25.0 1.6 1.4 6.1
123 4 10 2 43.161 86.321 1.3076 62.5 4.0 3.6 6.1
124 11 3 1 43.489 86.978 1.29968 17.3 1.1 1.0 6.1
125 3 9 3 43.749 87.498 1.2935 75.8 4.8 4.4 6.2
126 0 12 0 43.856 87.711 1.291 20.7 1.3 1.2 6.2
127 4 6 4 44.431 88.862 1.27771 96.1 6.1 5.5 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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