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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EDWINDAVISITE
1
Cu[C(2)O(4)](2)[NH(3)]
Orthorhombic P bca Z = 8
R =0.028 NR =1306
18 .4 .25
Ref.Str.:
H. Yang, X. Gu, A.R. Kampf, J. Marty, R.B. Gibbs, R.T. Downs
(2025) * Mineral. Mag., 89, doi: 10.1180/mgm.2025.16
R: locality - Rowley mine, Maricopa County, Arizona, USA.
IMA2023-056. See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.1998 alpha = 90.0
b = 9.4307 beta = 90.0
c = 8.3977 gamma = 90.0
Unit cell volume (cub. angs.) = 886.98
Molar volume ( cub.cm/mol.) = 66.78
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0758 0.2374 0.1233 0.0 Cu = 1.00
2 0.0195 0.4853 0.9129 0.0 C = 1.00
3 0.9356 0.0235 0.0145 0.0 C = 1.00
4 0.9201 0.1454 0.0813 0.0 O = 1.00
5 0.0628 0.367 0.8832 0.0 O = 1.00
6 0.1456 0.0621 0.0233 0.0 O = 1.00
7 0.0033 0.5833 0.8126 0.0 O = 1.00
8 0.2338 0.3016 0.1954 0.0 N = 1.00
9 0.268 0.235 0.242 0.0 H = 1.00
10 0.274 0.343 0.134 0.0 H = 1.00
11 0.233 0.349 0.272 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0758 0.2374 0.1233
2 2 0.0195 0.4853 0.9129
3 3 0.9356 0.0235 0.0145
4 4 0.9201 0.1454 0.0813
5 5 0.0628 0.367 0.8832
6 6 0.1456 0.0621 0.0233
7 7 0.0033 0.5833 0.8126
8 8 0.2338 0.3016 0.1954
9 9 0.268 0.235 0.242
10 10 0.274 0.343 0.134
11 11 0.233 0.349 0.272
12 1 0.4243 0.7626 0.6233
13 2 0.4805 0.5147 0.4129
14 3 0.5644 0.9765 0.5145
15 4 0.5799 0.8546 0.5813
16 5 0.4372 0.633 0.3832
17 6 0.3544 0.9379 0.5233
18 7 0.4967 0.4167 0.3126
19 8 0.2662 0.6984 0.6954
20 9 0.232 0.765 0.742
21 10 0.226 0.657 0.634
22 11 0.267 0.651 0.772
23 1 0.4243 0.7374 0.1233
24 2 0.4805 0.9853 0.9129
25 3 0.5644 0.5235 0.0145
26 4 0.5799 0.6454 0.0813
27 5 0.4372 0.867 0.8832
28 6 0.3544 0.5621 0.0233
29 7 0.4967 0.0833 0.8126
30 8 0.2662 0.8016 0.1954
31 9 0.232 0.735 0.242
32 10 0.226 0.843 0.134
33 11 0.267 0.849 0.272
34 1 0.0757 0.2626 0.6233
35 2 0.0195 0.0147 0.4129
36 3 0.9356 0.4765 0.5145
37 4 0.9201 0.3546 0.5813
38 5 0.0628 0.133 0.3832
39 6 0.1456 0.4379 0.5233
40 7 0.0033 0.9167 0.3126
41 8 0.2338 0.1984 0.6954
42 9 0.268 0.265 0.742
43 10 0.274 0.157 0.634
44 11 0.233 0.151 0.772
45 1 0.5757 0.2374 0.3767
46 2 0.5195 0.4853 0.5871
47 3 0.4356 0.0235 0.4855
48 4 0.4201 0.1454 0.4187
49 5 0.5628 0.367 0.6168
50 6 0.6456 0.0621 0.4767
51 7 0.5033 0.5833 0.6874
52 8 0.7338 0.3016 0.3046
53 9 0.768 0.235 0.258
54 10 0.774 0.343 0.366
55 11 0.733 0.349 0.228
56 1 0.9243 0.7626 0.8767
57 2 0.9805 0.5147 0.0871
58 3 0.0644 0.9765 0.9855
59 4 0.0799 0.8546 0.9187
60 5 0.9372 0.633 0.1168
61 6 0.8544 0.9379 0.9767
62 7 0.9967 0.4167 0.1874
63 8 0.7662 0.6984 0.8046
64 9 0.732 0.765 0.758
65 10 0.726 0.657 0.866
66 11 0.767 0.651 0.728
67 1 0.9243 0.7374 0.3767
68 2 0.9805 0.9853 0.5871
69 3 0.0644 0.5235 0.4855
70 4 0.0799 0.6454 0.4187
71 5 0.9372 0.867 0.6168
72 6 0.8544 0.5621 0.4767
73 7 0.9967 0.0833 0.6874
74 8 0.7662 0.8016 0.3046
75 9 0.732 0.735 0.258
76 10 0.726 0.843 0.366
77 11 0.767 0.849 0.228
78 1 0.5757 0.2626 0.8767
79 2 0.5195 0.0147 0.0871
80 3 0.4356 0.4765 0.9855
81 4 0.4201 0.3546 0.9187
82 5 0.5628 0.133 0.1168
83 6 0.6456 0.4379 0.9767
84 7 0.5033 0.9167 0.1874
85 8 0.7338 0.1984 0.8046
86 9 0.768 0.265 0.758
87 10 0.774 0.157 0.866
88 11 0.733 0.151 0.728
X-ray density (g/cm cub.) = 2.52
MU (1/cm) = 64.6 Mass attenuation coefficient (cm**2/g) = 25.592
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 8
1.9788 4
2.362 5
2.0124 6
2.3728 9
2.4352 10
2.4019 11
2.3992 5
1.9835 7
2 C 1.872 2
1.2416 5
1.2631 7
3 C 1.872 2
1.2909 4
1.2566 6
4 O 3.264 9
3.1127 5
2.6892 6
2.9996 5
3.0484 7
2.4123 9
3.098 11
2.2676 6
2.8421 7
2.441 10
5 O 3.264 10
3.1127 4
3.2422 6
2.2259 7
3.175 10
2.9996 4
3.2317 6
2.7593 9
2.9421 11
2.7001 7
3.2273 7
6 O 3.264 10
2.6892 4
3.2422 5
2.8126 9
3.1542 10
2.4382 10
3.2015 11
3.2317 5
3.213 7
2.4726 11
2.2676 4
7 O 3.264 11
2.2259 5
3.1383 9
2.9923 10
3.0407 11
3.0484 4
3.213 6
2.8421 4
2.7001 5
3.2142 10
2.814 11
3.2273 5
8 N 1.992 3
0.8334 9
0.7882 10
0.7834 11
9 H 3.264 6
2.8126 6
1.3654 10
1.1717 11
3.1383 7
2.7593 5
2.4123 4
10 H 3.264 8
3.175 5
3.1542 6
1.3654 9
1.2478 11
2.9923 7
2.4382 6
3.2142 7
2.441 4
11 H 3.264 8
1.1717 9
1.2478 10
3.0407 7
3.2015 6
2.9421 5
2.4726 6
3.098 4
2.814 7
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 2 0 0 7.906 15.812 0.089 102.76 2 237.9 1478.6
2 1 1 1 8.092 16.184 0.091 97.99 8 26.7 71.0
3 2 1 0 9.205 18.411 0.104 75.22 4 181.9 1265.1
4 0 2 0 9.402 18.803 0.106 72.02 2 124.3 282.7
5 0 0 2 10.571 21.142 0.119 56.52 2 59.3 50.5
6 2 1 1 10.626 21.253 0.12 55.91 8 21.3 25.9
7 0 2 1 10.798 21.596 0.122 54.08 4 15.6 6.7
8 1 0 2 11.298 22.597 0.127 49.21 4 87.3 190.5
9 1 2 1 11.512 23.024 0.13 47.33 8 14.1 9.5
10 1 1 2 12.255 24.51 0.138 41.52 8 193.1 1573.6
11 2 2 0 12.331 24.662 0.139 40.98 4 4.3 0.4
12 2 0 2 13.255 26.511 0.149 35.19 4 54.8 53.7
13 2 2 1 13.44 26.879 0.151 34.18 8 43.0 64.4
14 3 1 1 13.893 27.787 0.156 31.85 8 81.6 215.6
15 2 1 2 14.088 28.175 0.158 30.92 8 1.9 0.1
16 0 2 2 14.22 28.439 0.159 30.32 4 85.0 111.4
17 1 2 2 14.779 29.557 0.166 27.92 8 100.9 289.3
18 1 3 1 15.696 31.391 0.176 24.54 8 23.6 13.9
19 4 0 0 15.968 31.937 0.179 23.64 2 1.5 0.0
20 3 0 2 16.027 32.054 0.179 23.45 4 63.6 48.3
21 3 2 1 16.182 32.365 0.181 22.97 8 38.5 34.7
22 2 3 0 16.32 32.64 0.182 22.55 4 116.2 154.8
23 2 2 2 16.352 32.703 0.183 22.46 8 27.9 17.8
24 4 1 0 16.677 33.354 0.186 21.52 4 153.7 258.4
25 3 1 2 16.733 33.467 0.187 21.36 8 21.0 9.5
26 1 1 3 17.167 34.335 0.192 20.2 8 98.5 199.2
27 2 3 1 17.193 34.386 0.192 20.14 8 14.8 4.5
28 4 1 1 17.534 35.069 0.196 19.29 8 27.2 14.5
29 1 3 2 18.284 36.568 0.204 17.6 8 139.1 346.4
30 2 1 3 18.56 37.12 0.207 17.03 8 22.7 9.0
31 4 2 0 18.66 37.32 0.208 16.83 4 49.4 20.9
32 0 2 3 18.664 37.327 0.208 16.82 4 146.7 184.2
33 3 2 2 18.711 37.422 0.208 16.73 8 159.2 431.2
34 0 4 0 19.069 38.139 0.212 16.04 2 128.2 67.0
35 1 2 3 19.106 38.212 0.212 15.98 8 37.8 23.3
36 4 0 2 19.309 38.618 0.215 15.61 4 100.6 80.2
37 4 2 1 19.441 38.882 0.216 15.37 8 74.9 87.8
38 3 3 1 19.464 38.927 0.216 15.33 8 26.0 10.5
39 2 3 2 19.608 39.216 0.218 15.08 8 23.9 8.7
40 0 4 1 19.837 39.674 0.22 14.7 4 43.2 14.0
41 4 1 2 19.913 39.827 0.221 14.58 8 9.4 1.3
42 1 4 1 20.258 40.515 0.225 14.03 8 31.4 14.1
43 2 2 3 20.385 40.769 0.226 13.84 8 63.4 56.5
44 3 1 3 20.702 41.403 0.229 13.37 8 14.5 2.9
45 2 4 0 20.762 41.524 0.23 13.28 4 62.2 26.1
46 5 1 1 21.417 42.834 0.237 12.39 8 64.0 51.6
47 2 4 1 21.479 42.958 0.238 12.31 8 91.5 104.8
48 0 0 4 21.525 43.049 0.238 12.25 2 185.4 107.0
49 4 3 0 21.617 43.235 0.239 12.13 4 178.7 196.9
50 4 2 2 21.642 43.285 0.239 12.1 8 3.2 0.1
51 3 3 2 21.663 43.326 0.24 12.07 8 15.6 3.0
52 1 0 4 21.919 43.837 0.242 11.76 4 34.8 7.2
53 0 4 2 22.005 44.011 0.243 11.66 4 19.3 2.2
54 1 3 3 22.013 44.027 0.243 11.65 8 34.9 14.4
55 4 3 1 22.312 44.625 0.246 11.3 8 40.3 18.6
56 3 2 3 22.381 44.762 0.247 11.22 8 14.0 2.2
57 1 4 2 22.393 44.785 0.247 11.21 8 106.6 129.5
58 1 1 4 22.465 44.93 0.248 11.13 8 7.7 0.7
59 5 0 2 22.939 45.878 0.253 10.61 4 56.5 17.2
60 5 2 1 23.054 46.109 0.254 10.49 8 71.3 54.2
61 2 0 4 23.069 46.138 0.254 10.48 4 153.3 125.1
62 2 3 3 23.16 46.32 0.255 10.39 8 9.3 0.9
63 3 4 1 23.4 46.8 0.258 10.15 8 27.0 7.5
64 4 1 3 23.427 46.855 0.258 10.12 8 2.0 0.0
65 5 1 2 23.467 46.934 0.258 10.08 8 119.1 145.4
66 2 4 2 23.525 47.049 0.259 10.02 8 32.2 10.6
67 2 1 4 23.594 47.189 0.26 9.96 8 139.6 197.4
68 0 2 4 23.68 47.359 0.261 9.88 4 203.0 206.9
69 1 2 4 24.046 48.092 0.264 9.54 8 30.8 9.2
70 4 3 2 24.303 48.605 0.267 9.31 8 33.3 10.5
71 6 0 0 24.372 48.744 0.268 9.25 2 198.3 92.5
72 6 1 0 24.876 49.753 0.273 8.83 4 63.8 18.3
73 3 0 4 24.894 49.787 0.273 8.82 4 9.1 0.4
74 4 2 3 24.961 49.923 0.274 8.76 8 6.9 0.4
75 3 3 3 24.98 49.959 0.274 8.75 8 1.6 0.0
76 5 2 2 24.999 49.998 0.274 8.73 8 146.1 189.5
77 1 5 1 25.099 50.197 0.275 8.65 8 52.0 23.8
78 2 2 4 25.121 50.241 0.276 8.64 8 106.1 98.9
79 4 4 0 25.284 50.569 0.277 8.51 4 35.5 5.5
80 0 4 3 25.287 50.574 0.277 8.51 4 37.6 6.1
81 3 4 2 25.325 50.649 0.278 8.48 8 207.9 372.7
82 3 1 4 25.391 50.781 0.278 8.43 8 18.1 2.8
83 6 1 1 25.502 51.005 0.279 8.34 8 13.7 1.6
84 2 5 0 25.527 51.053 0.28 8.33 4 159.0 107.0
85 5 3 1 25.601 51.202 0.28 8.27 8 13.0 1.4
86 1 4 3 25.636 51.273 0.281 8.24 8 12.1 1.2
87 4 4 1 25.903 51.806 0.284 8.05 8 11.7 1.1
88 2 5 1 26.141 52.283 0.286 7.89 8 24.1 4.7
89 6 2 0 26.348 52.695 0.288 7.75 4 227.6 204.0
90 1 3 4 26.521 53.042 0.29 7.63 8 23.5 4.3
91 5 1 3 26.611 53.223 0.291 7.57 8 18.9 2.8
92 2 4 3 26.664 53.328 0.291 7.54 8 5.8 0.3
93 3 2 4 26.841 53.683 0.293 7.43 8 25.2 4.8
94 6 0 2 26.846 53.692 0.293 7.42 4 11.5 0.5
95 1 5 2 26.933 53.867 0.294 7.37 8 152.1 173.3
96 6 2 1 26.949 53.898 0.294 7.36 8 57.9 25.1
97 4 0 4 27.296 54.591 0.298 7.15 4 33.0 4.0
98 6 1 2 27.318 54.635 0.298 7.13 8 17.9 2.3
99 4 3 3 27.376 54.753 0.298 7.1 8 13.1 1.2
100 5 3 2 27.412 54.823 0.299 7.08 8 129.3 120.3
101 2 3 4 27.526 55.051 0.3 7.01 8 142.0 143.8
102 4 4 2 27.7 55.4 0.302 6.91 8 18.1 2.3
103 4 1 4 27.762 55.524 0.302 6.88 8 181.4 230.2
104 3 5 1 27.817 55.635 0.303 6.85 8 26.3 4.8
105 2 5 2 27.928 55.855 0.304 6.79 8 36.1 9.0
106 5 2 3 28.018 56.036 0.305 6.74 8 11.6 0.9
107 1 1 5 28.092 56.184 0.306 6.7 8 15.1 1.6
108 3 4 3 28.319 56.638 0.308 6.57 8 52.6 18.5
109 6 3 0 28.68 57.361 0.312 6.39 4 67.0 14.6
110 6 2 2 28.701 57.401 0.312 6.38 8 10.7 0.7
111 5 4 1 28.89 57.779 0.314 6.28 8 48.3 14.9
112 2 1 5 29.06 58.12 0.315 6.2 8 9.9 0.6
113 4 2 4 29.131 58.262 0.316 6.17 8 86.7 47.2
114 0 2 5 29.134 58.267 0.316 6.17 4 15.8 0.8
115 3 3 4 29.148 58.295 0.316 6.16 8 55.0 18.9
116 6 3 1 29.249 58.499 0.317 6.11 8 2.1 0.0
117 0 6 0 29.345 58.69 0.318 6.07 2 128.2 25.3
118 0 4 4 29.425 58.85 0.319 6.03 4 104.7 33.6
119 1 2 5 29.451 58.903 0.319 6.02 8 13.5 1.1
120 4 5 0 29.499 58.998 0.32 6.0 4 120.3 44.1
121 3 5 2 29.535 59.07 0.32 5.98 8 26.0 4.1
122 1 4 4 29.74 59.481 0.322 5.89 8 5.4 0.2
123 7 1 1 29.792 59.584 0.323 5.86 8 19.5 2.3
124 1 5 3 29.817 59.633 0.323 5.85 8 62.3 23.1
125 0 6 1 29.906 59.812 0.324 5.81 4 13.2 0.5
126 4 5 1 30.058 60.116 0.325 5.75 8 43.8 11.2
127 6 1 3 30.177 60.354 0.326 5.7 8 14.8 1.3
128 5 0 4 30.19 60.379 0.326 5.69 4 65.4 12.4
129 1 6 1 30.218 60.437 0.327 5.68 8 45.2 11.8
130 5 3 3 30.265 60.53 0.327 5.66 8 26.4 4.0
131 2 2 5 30.392 60.783 0.328 5.61 8 4.9 0.1
132 4 4 3 30.536 61.072 0.33 5.55 8 12.4 0.9
133 5 4 2 30.569 61.138 0.33 5.54 8 138.7 108.3
134 2 6 0 30.598 61.195 0.33 5.53 4 77.5 16.9
135 5 1 4 30.627 61.255 0.331 5.51 8 47.4 12.6
136 3 1 5 30.63 61.26 0.331 5.51 8 15.1 1.3
137 2 4 4 30.675 61.351 0.331 5.49 8 65.0 23.6
138 2 5 3 30.75 61.5 0.332 5.46 8 31.7 5.6
139 6 3 2 30.917 61.833 0.334 5.4 8 15.9 1.4
140 7 0 2 31.011 62.022 0.334 5.36 4 59.2 9.6
141 7 2 1 31.105 62.209 0.335 5.33 8 1.7 0.0
142 2 6 1 31.145 62.29 0.336 5.31 8 32.8 5.8
143 4 3 4 31.328 62.657 0.338 5.24 8 114.1 69.4
144 7 1 2 31.442 62.884 0.339 5.2 8 149.4 118.1
145 6 2 3 31.48 62.96 0.339 5.19 8 51.8 14.1
146 0 6 2 31.552 63.105 0.34 5.16 4 21.2 1.2
147 1 3 5 31.635 63.27 0.34 5.13 8 61.8 19.9
148 4 5 2 31.7 63.4 0.341 5.11 8 9.9 0.5
149 6 4 0 31.758 63.516 0.342 5.09 4 116.6 35.2
150 1 6 2 31.855 63.711 0.343 5.06 8 76.3 29.9
151 5 2 4 31.92 63.839 0.343 5.03 8 8.0 0.3
152 3 2 5 31.922 63.844 0.343 5.03 8 42.7 9.3
153 3 4 4 32.198 64.396 0.346 4.94 8 29.9 4.5
154 3 5 3 32.271 64.542 0.347 4.92 8 23.4 2.7
155 6 4 1 32.294 64.588 0.347 4.91 8 6.7 0.2
156 2 3 5 32.538 65.077 0.349 4.83 8 44.6 9.8
157 3 6 1 32.655 65.311 0.35 4.79 8 85.7 35.8
158 7 2 2 32.716 65.432 0.351 4.77 8 23.7 2.7
159 4 1 5 32.752 65.505 0.351 4.76 8 39.2 7.4
160 2 6 2 32.756 65.511 0.351 4.76 8 49.5 11.9
161 5 5 1 32.8 65.6 0.352 4.75 8 41.8 8.4
162 7 3 1 33.225 66.451 0.356 4.62 8 14.9 1.0
163 5 4 3 33.256 66.511 0.356 4.61 8 31.2 4.6
164 8 0 0 33.381 66.763 0.357 4.57 2 115.8 15.6
165 0 0 6 33.391 66.782 0.357 4.57 2 3.3 0.0
166 6 0 4 33.517 67.033 0.358 4.53 4 172.0 68.2
167 6 3 3 33.588 67.176 0.359 4.51 8 19.2 1.7
168 1 5 4 33.593 67.186 0.359 4.51 8 18.9 1.6
169 1 0 6 33.685 67.371 0.36 4.49 4 32.2 2.4
170 8 1 0 33.796 67.592 0.361 4.45 4 83.8 15.9
171 6 4 2 33.875 67.751 0.362 4.43 8 19.7 1.7
172 6 1 4 33.931 67.861 0.362 4.42 8 61.1 16.8
173 4 2 5 34.001 68.001 0.363 4.4 8 0.2 0.0
174 5 3 4 34.013 68.027 0.363 4.4 8 29.1 3.8
175 3 3 5 34.016 68.031 0.363 4.39 8 4.2 0.1
176 7 1 3 34.091 68.182 0.364 4.37 8 24.3 2.6
177 1 1 6 34.098 68.196 0.364 4.37 8 99.4 43.9
178 4 6 0 34.195 68.389 0.365 4.35 4 46.8 4.8
179 0 6 3 34.197 68.394 0.365 4.35 4 40.4 3.6
180 3 6 2 34.228 68.456 0.365 4.34 8 171.7 130.0
181 4 4 4 34.268 68.536 0.365 4.33 8 36.5 5.9
182 0 4 5 34.27 68.54 0.366 4.33 4 57.1 7.2
183 8 1 1 34.316 68.631 0.366 4.32 8 19.7 1.7
184 4 5 3 34.338 68.677 0.366 4.31 8 35.0 5.4
185 5 5 2 34.369 68.739 0.366 4.3 8 89.9 35.4
186 2 5 4 34.469 68.939 0.367 4.28 8 99.0 42.6
187 1 6 3 34.488 68.976 0.368 4.27 8 1.9 0.0
188 2 0 6 34.561 69.122 0.368 4.25 4 24.9 1.3
189 1 4 5 34.561 69.122 0.368 4.25 8 41.4 7.4
190 4 6 1 34.711 69.422 0.37 4.22 8 25.2 2.7
191 7 3 2 34.785 69.571 0.37 4.2 8 178.9 136.7
192 2 1 6 34.969 69.938 0.372 4.15 8 11.3 0.5
193 8 2 0 35.026 70.052 0.373 4.14 4 127.9 34.4
194 0 2 6 35.035 70.071 0.373 4.14 4 30.0 1.9
195 6 2 4 35.158 70.316 0.374 4.11 8 152.0 96.5
196 7 2 3 35.316 70.632 0.375 4.07 8 1.4 0.0
197 1 2 6 35.323 70.646 0.375 4.07 8 61.9 15.9
198 2 6 3 35.354 70.708 0.376 4.06 8 5.4 0.1
199 5 1 5 35.382 70.763 0.376 4.06 8 9.3 0.4
200 2 4 5 35.426 70.852 0.376 4.05 8 29.3 3.5
201 8 0 2 35.45 70.899 0.376 4.04 4 44.6 4.1
202 6 5 0 35.491 70.982 0.377 4.03 4 4.5 0.0
203 8 2 1 35.537 71.074 0.377 4.02 8 66.5 18.1
204 1 7 1 35.671 71.341 0.379 3.99 8 55.3 12.4
205 8 1 2 35.853 71.706 0.38 3.95 8 27.1 2.9
206 3 5 4 35.908 71.817 0.381 3.94 8 28.2 3.2
207 3 0 6 35.998 71.996 0.382 3.92 4 143.3 40.9
208 6 5 1 35.999 71.999 0.382 3.92 8 3.0 0.0
209 2 7 0 36.019 72.039 0.382 3.92 4 108.6 23.5
210 4 3 5 36.034 72.069 0.382 3.91 8 37.2 5.5
211 7 4 1 36.087 72.174 0.382 3.9 8 3.7 0.1
212 2 2 6 36.181 72.361 0.383 3.88 8 15.3 0.9
213 4 6 2 36.241 72.483 0.384 3.87 8 29.6 3.4
214 3 1 6 36.399 72.798 0.385 3.84 8 16.8 1.1
215 6 4 3 36.436 72.872 0.386 3.83 8 74.4 21.5
216 2 7 1 36.525 73.049 0.386 3.81 8 44.1 7.5
217 5 2 5 36.588 73.175 0.387 3.8 8 2.3 0.0
218 3 6 3 36.778 73.556 0.389 3.76 8 78.2 23.4
219 5 4 4 36.847 73.693 0.389 3.75 8 2.4 0.0
220 3 4 5 36.849 73.698 0.389 3.75 8 5.8 0.1
221 5 5 3 36.915 73.83 0.39 3.74 8 16.6 1.0
222 8 3 0 37.035 74.07 0.391 3.71 4 123.2 28.6
223 8 2 2 37.053 74.106 0.391 3.71 8 3.5 0.0
224 6 3 4 37.165 74.329 0.392 3.69 8 11.5 0.5
225 1 7 2 37.184 74.369 0.392 3.69 8 112.6 47.5
226 7 0 4 37.251 74.502 0.393 3.67 4 13.2 0.3
227 5 6 1 37.277 74.554 0.393 3.67 8 21.0 1.6
228 7 3 3 37.319 74.638 0.394 3.66 8 7.5 0.2
229 1 3 6 37.326 74.652 0.394 3.66 8 172.1 110.2
230 6 5 2 37.508 75.016 0.395 3.63 8 16.3 1.0
231 8 3 1 37.535 75.071 0.395 3.62 8 3.1 0.0
232 3 2 6 37.592 75.184 0.396 3.61 8 152.6 85.6
233 7 4 2 37.594 75.188 0.396 3.61 8 35.9 4.7
234 7 1 4 37.647 75.293 0.396 3.6 8 16.5 1.0
235 0 6 4 37.748 75.497 0.397 3.59 4 102.6 19.2
236 4 5 4 37.884 75.769 0.399 3.56 8 136.2 67.2
237 3 7 1 37.931 75.863 0.399 3.56 8 6.8 0.2
238 4 0 6 37.972 75.944 0.399 3.55 4 9.4 0.2
239 2 7 2 38.025 76.051 0.4 3.54 8 6.3 0.1
240 1 6 4 38.028 76.056 0.4 3.54 8 27.5 2.7
241 2 3 6 38.166 76.332 0.401 3.52 8 18.8 1.3
242 1 5 5 38.166 76.332 0.401 3.52 8 8.8 0.3
243 8 1 3 38.359 76.717 0.403 3.49 8 22.7 1.8
244 4 1 6 38.366 76.731 0.403 3.49 8 6.7 0.2
245 6 1 5 38.486 76.973 0.404 3.47 8 21.5 1.6
246 5 3 5 38.565 77.13 0.405 3.45 8 14.2 0.7
247 4 6 3 38.738 77.475 0.406 3.43 8 0.3 0.0
248 5 6 2 38.767 77.535 0.406 3.42 8 101.1 35.6
249 4 4 5 38.808 77.615 0.407 3.42 8 14.3 0.7
250 7 2 4 38.826 77.652 0.407 3.41 8 20.1 1.4
251 2 6 4 38.863 77.726 0.407 3.41 8 68.2 16.1
252 2 5 5 39.0 78.0 0.408 3.39 8 31.7 3.5
253 8 3 2 39.022 78.045 0.409 3.39 8 24.0 2.0
254 9 1 1 39.128 78.256 0.41 3.37 8 31.2 3.3
255 4 7 0 39.382 78.764 0.412 3.34 4 145.3 35.8
256 3 7 2 39.414 78.828 0.412 3.33 8 33.2 3.7
257 8 2 3 39.532 79.063 0.413 3.32 8 30.6 3.2
258 4 2 6 39.538 79.077 0.413 3.31 8 25.4 2.2
259 3 3 6 39.553 79.105 0.413 3.31 8 30.4 3.1
260 7 5 1 39.639 79.278 0.414 3.3 8 59.6 11.9
261 6 2 5 39.658 79.317 0.414 3.3 8 23.9 1.9
262 1 7 3 39.66 79.321 0.414 3.3 8 33.8 3.8
263 8 4 0 39.784 79.569 0.415 3.28 4 83.5 11.6
264 0 4 6 39.793 79.587 0.415 3.28 4 8.8 0.1
265 6 6 0 39.841 79.683 0.416 3.27 4 61.9 6.4
266 4 7 1 39.873 79.745 0.416 3.27 8 49.1 8.0
267 6 4 4 39.911 79.822 0.416 3.27 8 88.1 25.8
268 6 5 3 39.978 79.955 0.417 3.26 8 21.8 1.6
269 7 4 3 40.062 80.124 0.418 3.25 8 2.4 0.0
270 1 4 6 40.069 80.137 0.418 3.25 8 65.1 14.0
271 9 0 2 40.211 80.421 0.419 3.23 4 100.8 16.7
272 3 6 4 40.243 80.486 0.419 3.22 8 27.1 2.4
273 8 4 1 40.274 80.547 0.42 3.22 8 27.2 2.4
274 9 2 1 40.295 80.589 0.42 3.22 8 25.5 2.1
275 6 6 1 40.331 80.661 0.42 3.21 8 9.0 0.3
276 5 5 4 40.376 80.753 0.421 3.21 8 8.5 0.2
277 3 5 5 40.379 80.757 0.421 3.21 8 35.6 4.1
278 5 0 6 40.463 80.925 0.421 3.2 4 90.6 13.4
279 2 7 3 40.486 80.971 0.421 3.2 8 59.8 11.6
280 9 1 2 40.598 81.196 0.422 3.18 8 32.5 3.4
281 1 1 7 40.609 81.218 0.423 3.18 8 26.7 2.3
282 7 3 4 40.77 81.539 0.424 3.16 8 21.2 1.4
283 0 8 0 40.8 81.6 0.424 3.16 2 114.6 10.6
284 5 1 6 40.849 81.699 0.425 3.15 8 108.3 37.6
285 2 4 6 40.892 81.784 0.425 3.15 8 5.3 0.1
286 7 5 2 41.104 82.208 0.427 3.13 8 119.8 45.6
287 5 6 3 41.216 82.431 0.428 3.12 8 53.4 9.0
288 5 4 5 41.284 82.569 0.428 3.11 8 9.0 0.3
289 0 8 1 41.287 82.574 0.428 3.11 4 12.0 0.2
290 4 7 2 41.336 82.672 0.429 3.1 8 16.1 0.8
291 8 0 4 41.401 82.802 0.429 3.1 4 132.8 27.8
292 2 1 7 41.43 82.86 0.43 3.09 8 3.2 0.0
293 8 3 3 41.467 82.934 0.43 3.09 8 22.0 1.5
294 4 3 6 41.474 82.947 0.43 3.09 8 0.6 0.0
295 0 2 7 41.493 82.986 0.43 3.09 4 57.2 5.1
296 1 8 1 41.56 83.12 0.431 3.08 8 41.5 5.4
297 6 3 5 41.592 83.185 0.431 3.08 8 10.1 0.3
298 8 4 2 41.734 83.469 0.432 3.06 8 3.3 0.0
299 9 2 2 41.755 83.51 0.432 3.06 8 106.1 35.1
300 1 2 7 41.766 83.532 0.432 3.06 8 23.0 1.6
301 8 1 4 41.786 83.571 0.433 3.06 8 82.3 21.0
302 6 6 2 41.791 83.582 0.433 3.06 8 0.7 0.0
303 3 7 3 41.853 83.706 0.433 3.05 8 18.4 1.0
304 2 8 0 41.893 83.786 0.433 3.05 4 108.7 18.3
305 5 2 6 42.005 84.01 0.434 3.04 8 63.6 12.5
306 7 1 5 42.061 84.121 0.435 3.03 8 4.2 0.1
307 4 6 4 42.157 84.314 0.436 3.02 8 32.6 3.3
308 0 6 5 42.159 84.319 0.436 3.02 4 18.6 0.5
309 9 3 1 42.222 84.445 0.436 3.02 8 16.3 0.8
310 3 4 6 42.257 84.514 0.437 3.02 8 157.9 76.5
311 4 5 5 42.292 84.583 0.437 3.01 8 26.0 2.1
312 5 7 1 42.335 84.671 0.437 3.01 8 29.3 2.6
313 2 8 1 42.378 84.755 0.438 3.0 8 6.4 0.1
314 1 6 5 42.432 84.863 0.438 3.0 8 45.5 6.3
315 2 2 7 42.583 85.166 0.439 2.99 8 42.5 5.5
316 0 8 2 42.741 85.482 0.441 2.97 4 18.2 0.5
317 3 1 7 42.792 85.584 0.441 2.97 8 8.7 0.2
318 8 2 4 42.937 85.875 0.442 2.96 8 123.9 46.2
319 1 8 2 43.013 86.026 0.443 2.95 8 22.3 1.5
320 9 1 3 43.024 86.048 0.443 2.95 8 3.2 0.0
321 1 7 4 43.064 86.128 0.443 2.95 8 8.8 0.2
322 7 2 5 43.211 86.423 0.444 2.94 8 15.3 0.7
323 2 6 5 43.247 86.494 0.445 2.94 8 20.8 1.3
324 8 5 0 43.252 86.504 0.445 2.94 4 70.8 7.5
325 6 5 4 43.377 86.753 0.446 2.93 8 46.6 6.4
326 10 0 0 43.453 86.906 0.446 2.92 2 16.0 0.2
327 7 4 4 43.46 86.92 0.446 2.92 8 12.9 0.5
328 6 0 6 43.462 86.924 0.447 2.92 4 33.9 1.7
329 7 5 3 43.526 87.052 0.447 2.92 8 1.9 0.0
330 1 5 6 43.532 87.065 0.447 2.92 8 106.6 33.7
331 9 3 2 43.673 87.345 0.448 2.91 8 70.3 14.6
332 1 3 7 43.684 87.367 0.448 2.9 8 25.9 2.0
333 8 5 1 43.735 87.47 0.449 2.9 8 9.7 0.3
334 3 8 1 43.736 87.472 0.449 2.9 8 96.8 27.6
335 4 7 3 43.756 87.512 0.449 2.9 8 42.3 5.3
336 5 7 2 43.785 87.57 0.449 2.9 8 66.0 12.8
337 2 8 2 43.827 87.654 0.45 2.9 8 17.2 0.9
338 10 1 0 43.836 87.672 0.45 2.89 4 114.3 19.2
339 6 1 6 43.845 87.69 0.45 2.89 8 5.9 0.1
340 7 6 1 43.874 87.749 0.45 2.89 8 10.1 0.3
341 2 7 4 43.878 87.757 0.45 2.89 8 99.0 28.8
342 5 3 6 43.922 87.843 0.45 2.89 8 92.3 25.0
343 3 2 7 43.941 87.882 0.45 2.89 8 19.6 1.1
344 8 4 3 44.151 88.303 0.452 2.88 8 40.7 4.8
345 4 4 6 44.158 88.316 0.452 2.87 8 23.7 1.6
346 9 2 3 44.172 88.344 0.452 2.87 8 25.9 2.0
347 6 6 3 44.208 88.415 0.453 2.87 8 14.3 0.6
348 6 4 5 44.276 88.552 0.453 2.87 8 4.5 0.1
349 10 1 1 44.318 88.636 0.453 2.87 8 0.5 0.0
350 2 5 6 44.346 88.692 0.454 2.86 8 15.5 0.7
351 2 3 7 44.497 88.994 0.455 2.85 8 24.8 1.8
352 5 6 4 44.601 89.202 0.456 2.85 8 20.2 1.2
353 3 6 5 44.603 89.206 0.456 2.85 8 61.1 10.8
354 4 1 7 44.691 89.383 0.457 2.84 8 33.7 3.3
355 5 5 5 44.735 89.47 0.457 2.84 8 44.1 5.6
356 6 7 0 44.838 89.677 0.458 2.84 4 38.9 2.2
357 8 3 4 44.85 89.701 0.458 2.84 8 70.1 14.2
358 9 4 1 44.902 89.805 0.458 2.83 8 40.9 4.8
359 10 2 0 44.983 89.966 0.459 2.83 4 6.4 0.1
360 6 2 6 44.992 89.984 0.459 2.83 8 14.6 0.6
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 7.906 15.812 5.5999 1478.6 94.0 94.5 5.6
2 1 1 1 8.092 16.184 5.47208 71.0 4.5 4.5 5.6
3 2 1 0 9.205 18.411 4.81501 1265.1 80.4 80.7 5.6
4 0 2 0 9.402 18.803 4.71535 282.7 18.0 18.0 5.6
5 0 0 2 10.571 21.142 4.19885 50.5 3.2 3.2 5.6
6 2 1 1 10.626 21.253 4.17709 25.9 1.6 1.6 5.6
7 1 0 2 11.298 22.597 3.93163 190.5 12.1 12.1 5.6
8 1 1 2 12.255 24.51 3.6289 1573.6 100.0 100.0 5.6
9 2 0 2 13.255 26.511 3.35939 53.7 3.4 3.4 5.6
10 2 2 1 13.44 26.879 3.31417 64.4 4.1 4.1 5.6
11 3 1 1 13.893 27.787 3.20793 215.6 13.7 13.7 5.6
12 0 2 2 14.22 28.439 3.13581 111.4 7.1 7.1 5.6
13 1 2 2 14.779 29.557 3.01968 289.3 18.4 18.3 5.6
14 3 0 2 16.027 32.054 2.78996 48.3 3.1 3.0 5.6
15 3 2 1 16.182 32.365 2.7639 34.7 2.2 2.2 5.6
16 2 3 0 16.32 32.64 2.74119 154.8 9.8 9.8 5.6
17 2 2 2 16.352 32.703 2.73604 17.8 1.1 1.1 5.6
18 4 1 0 16.677 33.354 2.68415 258.4 16.4 16.3 5.7
19 1 1 3 17.167 34.335 2.60965 203.7 12.9 12.8 5.7
20 1 3 2 18.284 36.568 2.45524 346.4 22.0 21.8 5.7
21 0 2 3 18.664 37.327 2.40705 205.1 13.0 12.9 5.7
22 3 2 2 18.711 37.422 2.40115 431.2 27.4 27.1 5.7
23 0 4 0 19.069 38.139 2.35768 67.0 4.3 4.2 5.7
24 1 2 3 19.106 38.212 2.35331 23.3 1.5 1.5 5.7
25 4 0 2 19.309 38.618 2.32952 80.2 5.1 5.0 5.7
26 4 2 1 19.441 38.882 2.31428 98.3 6.2 6.2 5.7
27 2 2 3 20.385 40.769 2.21141 56.5 3.6 3.5 5.7
28 2 4 0 20.762 41.524 2.17294 26.1 1.7 1.6 5.7
29 5 1 1 21.417 42.834 2.10945 51.6 3.3 3.2 5.7
30 2 4 1 21.479 42.958 2.10366 104.8 6.7 6.5 5.7
31 0 0 4 21.525 43.049 2.09943 107.0 6.8 6.7 5.7
32 4 3 0 21.617 43.235 2.09084 197.1 12.5 12.3 5.7
33 1 3 3 22.013 44.027 2.05504 16.6 1.1 1.0 5.7
34 4 3 1 22.312 44.625 2.0289 18.6 1.2 1.2 5.7
35 1 4 2 22.393 44.785 2.02199 131.8 8.4 8.2 5.7
36 5 0 2 22.939 45.878 1.97632 17.2 1.1 1.1 5.7
37 2 0 4 23.069 46.138 1.96582 179.3 11.4 11.2 5.7
38 5 1 2 23.467 46.934 1.93431 145.4 9.2 9.1 5.7
39 2 1 4 23.594 47.189 1.92445 197.4 12.5 12.3 5.7
40 0 2 4 23.68 47.359 1.91792 206.9 13.1 12.9 5.7
41 6 0 0 24.372 48.744 1.86663 92.5 5.9 5.7 5.7
42 6 1 0 24.876 49.753 1.83111 18.7 1.2 1.2 5.7
43 5 2 2 24.999 49.998 1.8227 189.5 12.0 11.8 5.7
44 2 2 4 25.121 50.241 1.81445 122.7 7.8 7.6 5.8
45 3 4 2 25.325 50.649 1.80079 372.7 23.7 23.1 5.8
46 2 5 0 25.527 51.053 1.78747 108.6 6.9 6.7 5.8
47 6 2 0 26.348 52.695 1.73559 204.0 13.0 12.6 5.8
48 1 5 2 26.933 53.867 1.70057 198.4 12.6 12.2 5.8
49 5 3 2 27.412 54.823 1.67314 120.3 7.6 7.4 5.8
50 2 3 4 27.526 55.051 1.66675 143.8 9.1 8.9 5.8
51 4 1 4 27.762 55.524 1.65367 230.2 14.6 14.2 5.8
52 3 4 3 28.319 56.638 1.62377 18.5 1.2 1.1 5.8
53 4 2 4 29.131 58.262 1.5823 66.9 4.2 4.1 5.8
54 0 6 0 29.345 58.69 1.57178 25.3 1.6 1.6 5.8
55 0 4 4 29.425 58.85 1.5679 34.7 2.2 2.1 5.8
56 4 5 0 29.499 58.998 1.56432 44.1 2.8 2.7 5.8
57 1 5 3 29.817 59.633 1.54915 25.4 1.6 1.6 5.8
58 5 0 4 30.19 60.379 1.53179 25.4 1.6 1.6 5.8
59 5 4 2 30.569 61.138 1.51458 125.2 8.0 7.6 5.8
60 2 4 4 30.675 61.351 1.50984 23.6 1.5 1.4 5.8
61 4 3 4 31.328 62.657 1.48147 69.4 4.4 4.2 5.8
62 7 1 2 31.442 62.884 1.47666 118.1 7.5 7.2 5.9
63 1 3 5 31.635 63.27 1.46857 19.9 1.3 1.2 5.9
64 6 4 0 31.758 63.516 1.46348 35.2 2.2 2.1 5.9
65 1 6 2 31.855 63.711 1.45948 29.9 1.9 1.8 5.9
66 3 6 1 32.655 65.311 1.42754 35.8 2.3 2.2 5.9
67 2 6 2 32.756 65.511 1.42366 19.3 1.2 1.2 5.9
68 6 0 4 33.517 67.033 1.39498 68.2 4.3 4.1 5.9
69 8 1 0 33.796 67.592 1.3848 15.9 1.0 1.0 5.9
70 6 1 4 33.931 67.861 1.37997 16.8 1.1 1.0 5.9
71 1 1 6 34.098 68.196 1.374 46.5 3.0 2.8 5.9
72 3 6 2 34.228 68.456 1.36942 130.0 8.3 7.8 5.9
73 5 5 2 34.369 68.739 1.36447 35.4 2.2 2.1 5.9
74 2 5 4 34.469 68.939 1.361 42.6 2.7 2.6 5.9
75 7 3 2 34.785 69.571 1.35018 136.7 8.7 8.2 5.9
76 8 2 0 35.026 70.052 1.34207 36.3 2.3 2.2 5.9
77 6 2 4 35.158 70.316 1.33767 96.5 6.1 5.8 5.9
78 1 2 6 35.323 70.646 1.33223 15.9 1.0 1.0 5.9
79 8 2 1 35.537 71.074 1.32526 18.1 1.1 1.1 5.9
80 3 0 6 35.998 71.996 1.31054 64.4 4.1 3.9 5.9
81 6 4 3 36.436 72.872 1.29693 21.5 1.4 1.3 6.0
82 3 6 3 36.778 73.556 1.28656 23.4 1.5 1.4 6.0
83 8 3 0 37.035 74.07 1.27889 28.7 1.8 1.7 6.0
84 1 7 2 37.184 74.369 1.27449 47.5 3.0 2.8 6.0
85 1 3 6 37.326 74.652 1.27036 110.2 7.0 6.6 6.0
86 3 2 6 37.592 75.184 1.26268 90.3 5.7 5.4 6.0
87 0 6 4 37.748 75.497 1.25823 19.2 1.2 1.1 6.0
88 4 5 4 37.884 75.769 1.25439 67.2 4.3 4.0 6.0
89 5 6 2 38.767 77.535 1.23017 35.6 2.3 2.1 6.0
90 2 6 4 38.863 77.726 1.22762 16.1 1.0 1.0 6.0
91 4 7 0 39.382 78.764 1.21402 35.8 2.3 2.1 6.0
92 7 5 1 39.639 79.278 1.20744 17.7 1.1 1.0 6.0
93 6 4 4 39.911 79.822 1.20057 25.8 1.6 1.5 6.0
94 9 0 2 40.211 80.421 1.19313 16.7 1.1 1.0 6.0
95 5 0 6 40.463 80.925 1.18696 25.0 1.6 1.5 6.1
96 5 1 6 40.849 81.699 1.17767 37.6 2.4 2.2 6.1
97 7 5 2 41.104 82.208 1.17165 45.6 2.9 2.7 6.1
98 8 0 4 41.401 82.802 1.16476 27.8 1.8 1.6 6.1
99 9 2 2 41.755 83.51 1.15667 36.7 2.3 2.1 6.1
100 8 1 4 41.786 83.571 1.15597 21.0 1.3 1.2 6.1
101 2 8 0 41.893 83.786 1.15355 18.3 1.2 1.1 6.1
102 3 4 6 42.257 84.514 1.14547 76.5 4.9 4.5 6.1
103 8 2 4 42.937 85.875 1.13077 46.2 2.9 2.7 6.1
104 1 5 6 43.532 87.065 1.11835 33.7 2.1 2.0 6.1
105 9 3 2 43.673 87.345 1.11548 16.6 1.1 1.0 6.2
106 3 8 1 43.736 87.472 1.11419 32.9 2.1 1.9 6.2
107 10 1 0 43.836 87.672 1.11216 19.3 1.2 1.1 6.2
108 2 7 4 43.878 87.757 1.11131 28.8 1.8 1.7 6.2
109 5 3 6 43.922 87.843 1.11044 26.2 1.7 1.5 6.2
110 8 3 4 44.85 89.701 1.0922 16.3 1.0 0.9 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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